,feature_id,component_id,structure_taxonomy_npclassifier_01pathway_consensus,structure_taxonomy_npclassifier_02superclass_consensus,structure_taxonomy_npclassifier_03class_consensus,msms_score,libname,structure_inchikey,structure_inchi,structure_smiles,structure_molecular_formula,adduct,structure_exact_mass,short_inchikey,structure_taxonomy_npclassifier_01pathway,structure_taxonomy_npclassifier_02superclass,structure_taxonomy_npclassifier_03class,organism_name,organism_taxonomy_ottid,organism_taxonomy_01domain,organism_taxonomy_02kingdom,organism_taxonomy_03phylum,organism_taxonomy_04class,organism_taxonomy_05order,organism_taxonomy_06family,organism_taxonomy_07tribe,organism_taxonomy_08genus,organism_taxonomy_09species,score_taxo,score_max_consistency,final_score 0,14563,2175,Polyketides,Linear polyketides,Acetogenins,0.38189217,ISDB,LBFWHQSJIPPDSZ-UHFFFAOYSA-N,"InChI=1S/C37H66O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3",CCCCCCCCC=CCCC(O)C1CCC(C(O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1,C37H66O5,,590.491025212,LBFWHQSJIPPDSZ,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,3,7.027568697929382 1,14559,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_1_minus1proton1magnesium,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 2,14559,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,YVBAUDVGOFCUSG-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",CCCCCc1ccco1,C9H14O,pos_1_minus1proton1magnesium,138.104465068,YVBAUDVGOFCUSG,Polyketides,Cyclic polyketides,Furans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 3,14558,255,Terpenoids,Triterpenoids,Ergostane steroids,0.41803685,ISDB,ICFXJOAKQGDRCT-HPYBIPJLSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20+,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],6,1,8.172147393226624 4,14558,255,Terpenoids,Triterpenoids,Ergostane steroids,0.41803685,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Lindera communis,356825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera communis'],6,1,8.172147393226624 5,14558,255,Terpenoids,Triterpenoids,Ergostane steroids,0.41803685,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Beilschmiedia tsangii,5699365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia tsangii'],6,1,8.172147393226624 6,14558,255,Terpenoids,Triterpenoids,Ergostane steroids,0.41803685,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Litsea acutivena,18346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea acutivena'],6,1,8.172147393226624 7,14550,824,Fatty acids,Glycerolipids,,0.2767214,ISDB,,,,,,,QDOMZSPDAWEFHG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.106885552406311 8,14545,23,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.7305906,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,12.422362327575684 9,14540,226,Fatty acids,Sphingolipids,Ceramides,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MHCH3CN,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Ventilago denticulata,7056853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Ventilageae'],['Ventilago'],['Ventilago denticulata'],6,1,6.5 10,14540,226,Fatty acids,Sphingolipids,Ceramides,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_2MHCH3CN,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Ventilago calyculata,7056853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Ventilageae'],['Ventilago'],['Ventilago denticulata'],6,1,6.5 11,14539,57,Terpenoids,Steroids,Cardenolides,0.47263065,ISDB,FELYAZAWTURXNF-DPJQGRQDSA-N,"InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+/m1/s1",CO[C@H]1CC[C@@H](O[C@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C,C47H78O14,,866.539157176,FELYAZAWTURXNF,Polyketides,Polyethers,Polyether ionophores,Streptomyces nanchangensis,188199.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces nanchangensis'],0,0,1.8905225992202759 12,14539,57,Terpenoids,Steroids,Cardenolides,0.47263065,ISDB,FELYAZAWTURXNF-DPJQGRQDSA-N,"InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+/m1/s1",CO[C@H]1CC[C@@H](O[C@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C,C47H78O14,,866.539157176,FELYAZAWTURXNF,Polyketides,Polyethers,Polyether ionophores,Streptomyces bingchenggensis,62579.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces bingchenggensis'],0,0,1.8905225992202759 13,14539,57,Terpenoids,Steroids,Cardenolides,0.47263065,ISDB,FELYAZAWTURXNF-DPJQGRQDSA-N,"InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+/m1/s1",CO[C@H]1CC[C@@H](O[C@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C,C47H78O14,,866.539157176,FELYAZAWTURXNF,Polyketides,Polyethers,Polyether ionophores,Streptomyces milbemycinicus,186054.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces milbemycinicus'],0,0,1.8905225992202759 14,14535,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.2937275,ISDB,FQFXYFNHFVFHPV-LPWJYYESSA-N,"InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3/t3-,4+,6+,7-/m1/s1",C[C@@H]1C[C@H](O)[C@H](O)[C@H](O)C1=O,C7H12O4,,160.073558864,FQFXYFNHFVFHPV,Carbohydrates,Polyols,Cyclitols,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.1749099493026733 15,14535,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.2937275,ISDB,FQFXYFNHFVFHPV-UHFFFAOYSA-N,"InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3",CC1CC(O)C(O)C(O)C1=O,C7H12O4,,160.073558864,FQFXYFNHFVFHPV,Carbohydrates,Polyols,Cyclitols,Streptomyces griseorubiginosus,813421.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces griseorubiginosus'],0,0,1.1749099493026733 16,14535,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.2937275,ISDB,FQFXYFNHFVFHPV-UHFFFAOYSA-N,"InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3",CC1CC(O)C(O)C(O)C1=O,C7H12O4,,160.073558864,FQFXYFNHFVFHPV,Carbohydrates,Polyols,Cyclitols,Streptomyces chromofuscus,167863.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces chromofuscus'],0,0,1.1749099493026733 17,14533,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45081717,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.303268671035767 18,14524,591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.72449666,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.397986650466919 19,14522,-1,,,,0.0,MS1_match,CYEPMWTWHPYWLF-IUDNXUCKSA-N,"InChI=1S/C16H24O2/c1-11-6-5-7-15(3)8-9-16(4,10-13(11)15)12(2)14(17)18/h13H,1-2,5-10H2,3-4H3,(H,17,18)/t13-,15?,16?/m1/s1",C=C1CCCC2(C)CCC(C)(C(=C)C(=O)O)C[C@H]12,C16H24O2,pos_2_1proton1sodium,248.177630008,CYEPMWTWHPYWLF,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Machilus wangchiana,587977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus wangchiana'],6,0,6.0 20,14521,2856,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.44076508,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.263060331344604 21,14521,2856,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.44076508,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.263060331344604 22,14520,226,Fatty acids,Sphingolipids,Ceramides,0.42986766,ISDB,,,,,,,HIMAOQJJMNAYIH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7194706201553345 23,14514,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 24,14514,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 25,14513,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.31864876,ISDB,,,,,,,WUHLDGKUYJARLK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.274595022201538 26,14508,774,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3389941,ISDB,QEJCHDFPOLIOOM-HKHMYXDBSA-N,"InChI=1S/C38H62O9/c1-21(2)23(5)11-18-38(10,44)26-13-17-37(9)31(26)28(47-34-33(46-24(6)39)32(43)27(40)20-45-34)19-29-35(7,15-14-30(41)42)25(22(3)4)12-16-36(29,37)8/h21,25-29,31-34,40,43-44H,3,5,11-20H2,1-2,4,6-10H3,(H,41,42)/t25-,26-,27+,28+,29+,31+,32-,33+,34-,35-,36+,37+,38-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C38H62O9,,662.439383564,QEJCHDFPOLIOOM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,2,8.355976343154907 27,14508,774,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3389941,ISDB,QEJCHDFPOLIOOM-HKHMYXDBSA-N,"InChI=1S/C38H62O9/c1-21(2)23(5)11-18-38(10,44)26-13-17-37(9)31(26)28(47-34-33(46-24(6)39)32(43)27(40)20-45-34)19-29-35(7,15-14-30(41)42)25(22(3)4)12-16-36(29,37)8/h21,25-29,31-34,40,43-44H,3,5,11-20H2,1-2,4,6-10H3,(H,41,42)/t25-,26-,27+,28+,29+,31+,32-,33+,34-,35-,36+,37+,38-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C38H62O9,,662.439383564,QEJCHDFPOLIOOM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,2,8.355976343154907 28,14505,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.6028053,ISDB,,,,,,,MYFUOMYKCJURCV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4112212657928467 29,14500,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4338494,ISDB,,,,,,,JFPSLJJGWCHYOE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7353975772857666 30,14499,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.25198767,ISDB,GSUMMBGPXVRPOL-VLNLSGLRSA-N,"InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(52)20-22-42(37)53)46(56)58-32-51(10,57)45(55)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(54)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-53,55,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15?,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1",CC(C)=CCCC(C)=CCC/C(=C/Cc1cc(O)ccc1O)C(=O)OC[C@@](C)(O)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C,C51H74O7,,798.543454708,GSUMMBGPXVRPOL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Ganoderma leucocontextum,5685141.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Ganodermataceae'],['Unknown'],['Ganoderma'],['Ganoderma leucocontextum'],1,0,2.0079506635665894 31,14497,255,Terpenoids,Triterpenoids,Ergostane steroids,0.48976618,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,2,6.959064722061157 32,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,2,8.442049264907837 33,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,2,8.442049264907837 34,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,2,8.442049264907837 35,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,2,8.442049264907837 36,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,2,8.442049264907837 37,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,2,8.442049264907837 38,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,2,8.442049264907837 39,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,2,8.442049264907837 40,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,2,8.442049264907837 41,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,2,8.442049264907837 42,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,2,8.442049264907837 43,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,2,8.442049264907837 44,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,2,8.442049264907837 45,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,2,8.442049264907837 46,14495,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8605123,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,2,8.442049264907837 47,14494,2862,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,FPLNRAYTBIFSFW-UHFFFAOYSA-N,"InChI=1S/C23H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2-23H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCO,C23H48O,pos_1_1proton1acetonitrile,340.370516156,FPLNRAYTBIFSFW,Fatty acids,Fatty acyls,Fatty alcohols,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 48,14493,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,BSAIUMLZVGUGKX-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3",CCCCCCC=CC=O,C9H16O,pos_1_minus1proton1magnesium,140.120115132,BSAIUMLZVGUGKX,Fatty acids,Fatty acyls,Fatty aldehydes,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],8,3,9.5 49,14487,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.6802595,ISDB,VWMWIYJXXDPELX-DUWPFLCLSA-N,"InChI=1S/C33H54O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32(35)36-31-27-28(2)22-21-23-29(3)30(34)25-26-33(31,4)5/h13-14,23,25-27,31H,6-12,15-22,24H2,1-5H3/b14-13-,26-25+,28-27+,29-23+/t31-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)C(=O)/C=C/C1(C)C,C33H54O3,,498.407295588,VWMWIYJXXDPELX,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Lactarius aurantiacus,77181.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius aurantiacus'],1,3,5.221038103103638 50,14487,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.6802595,ISDB,VWMWIYJXXDPELX-DUWPFLCLSA-N,"InChI=1S/C33H54O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32(35)36-31-27-28(2)22-21-23-29(3)30(34)25-26-33(31,4)5/h13-14,23,25-27,31H,6-12,15-22,24H2,1-5H3/b14-13-,26-25+,28-27+,29-23+/t31-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)C(=O)/C=C/C1(C)C,C33H54O3,,498.407295588,VWMWIYJXXDPELX,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Lactarius mitissimus,77181.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius aurantiacus'],1,3,5.221038103103638 51,14480,-1,,,,0.36620644,ISDB,OGGVNSPJFFMXQJ-PCKUUMOXSA-N,"InChI=1S/C23H38O4/c1-19(2)10-7-11-22(6)16(19)9-8-15(24)18-21(5,12-13-23(18,22)25)17-14-26-20(3,4)27-17/h16-18,25H,7-14H2,1-6H3/t16-,17-,18-,21+,22-,23+/m0/s1",CC1(C)OC[C@@H]([C@@]2(C)CC[C@@]3(O)[C@H]2C(=O)CC[C@H]2C(C)(C)CCC[C@@]23C)O1,C23H38O4,,378.277009696,OGGVNSPJFFMXQJ,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Tsuga dumosa,608044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga dumosa'],5,0,6.464825749397278 52,14479,556,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5554301,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.721720457077026 53,14475,-1,,,,0.29883975,ISDB,,,,,,,XQVRPWAJMCYTNW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1953589916229248 54,14468,-1,,,,0.62873477,ISDB,WCWZMXGLFXUWAG-UHFFFAOYSA-N,"InChI=1S/C23H36O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-21(26)22(27-4)17(2)20(25)23(19)28-18(3)24/h5-16H2,1-4H3",CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC)C1=O,C23H36O5,,392.256274252,WCWZMXGLFXUWAG,Polyketides,Aromatic polyketides,Benzoquinones,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],4,0,6.514939069747925 55,14463,2175,Polyketides,Linear polyketides,Acetogenins,0.4298176,ISDB,LBFWHQSJIPPDSZ-UHFFFAOYSA-N,"InChI=1S/C37H66O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3",CCCCCCCCC=CCCC(O)C1CCC(C(O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1,C37H66O5,,590.491025212,LBFWHQSJIPPDSZ,Polyketides,Linear polyketides,Acetogenins,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,3,7.219270348548889 56,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.164600253105164 57,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Bauhinia racemosa,522553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia racemosa'],4,3,7.164600253105164 58,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phanera vahlii,276264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Phanera'],['Phanera vahlii'],4,3,7.164600253105164 59,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Carallia brachiata,163832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Carallia'],['Carallia brachiata'],4,3,7.164600253105164 60,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ipomoea batatas,1071040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea batatas'],4,3,7.164600253105164 61,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],4,3,7.164600253105164 62,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,7.164600253105164 63,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-HKWPCNBJSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44-,45-,46-,47+,48-,49-,50+,51-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.581021988,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Klasea centauroides,82717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea centauroides'],4,3,7.164600253105164 64,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-UHFFFAOYSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCC,C51H84O15,,936.581021988,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],4,3,7.164600253105164 65,14462,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41615006,ISDB,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Ranunculus fluitans,961752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus fluitans'],4,3,7.164600253105164 66,14459,481,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.0,MS1_match,AOJOFALXLFIDNA-OGIMQRIOSA-N,"InChI=1S/C33H51N5O5/c1-9-21(5)27-30(39)34-17-15-23-11-13-24(14-12-23)43-26-16-18-38(29(26)32(41)36-27)33(42)25(19-20(3)4)35-31(40)28(37(7)8)22(6)10-2/h11-15,17,20-22,25-29H,9-10,16,18-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)/b17-15-/t21-,22-,25-,26-,27-,28-,29-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C)Oc2ccc(cc2)/C=C\NC1=O,C33H51N5O5,pos_1_1proton1ethylamine,597.389019732,AOJOFALXLFIDNA,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Ziziphus nummularia,14448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus nummularia'],6,3,7.5 67,14459,481,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.0,MS1_match,AOJOFALXLFIDNA-LPAABWEISA-N,"InChI=1S/C33H51N5O5/c1-9-21(5)27-30(39)34-17-15-23-11-13-24(14-12-23)43-26-16-18-38(29(26)32(41)36-27)33(42)25(19-20(3)4)35-31(40)28(37(7)8)22(6)10-2/h11-15,17,20-22,25-29H,9-10,16,18-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)/b17-15-/t21-,22+,25+,26+,27+,28+,29+/m1/s1",CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C)Oc2ccc(cc2)/C=C\NC1=O,C33H51N5O5,pos_1_1proton1ethylamine,597.3890197319998,AOJOFALXLFIDNA,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Ziziphus xylopyra,6109108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus xylopyra'],6,3,7.5 68,14459,481,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.0,MS1_match,AOJOFALXLFIDNA-UHFFFAOYSA-N,"InChI=1S/C33H51N5O5/c1-9-21(5)27-30(39)34-17-15-23-11-13-24(14-12-23)43-26-16-18-38(29(26)32(41)36-27)33(42)25(19-20(3)4)35-31(40)28(37(7)8)22(6)10-2/h11-15,17,20-22,25-29H,9-10,16,18-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)",CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC(C)C)NC(=O)C(C(C)CC)N(C)C)Oc2ccc(cc2)C=CNC1=O,C33H51N5O5,pos_1_1proton1ethylamine,597.389019732,AOJOFALXLFIDNA,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Ziziphus mauritiana,556043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus mauritiana'],6,3,7.5 69,14459,481,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.0,MS1_match,AOJOFALXLFIDNA-OGIMQRIOSA-N,"InChI=1S/C33H51N5O5/c1-9-21(5)27-30(39)34-17-15-23-11-13-24(14-12-23)43-26-16-18-38(29(26)32(41)36-27)33(42)25(19-20(3)4)35-31(40)28(37(7)8)22(6)10-2/h11-15,17,20-22,25-29H,9-10,16,18-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)/b17-15-/t21-,22-,25-,26-,27-,28-,29-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C)Oc2ccc(cc2)/C=C\NC1=O,C33H51N5O5,pos_1_1proton1ethylamine,597.389019732,AOJOFALXLFIDNA,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Ziziphus nummularia,14448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus nummularia'],6,3,7.5 70,14459,481,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.0,MS1_match,AOJOFALXLFIDNA-LPAABWEISA-N,"InChI=1S/C33H51N5O5/c1-9-21(5)27-30(39)34-17-15-23-11-13-24(14-12-23)43-26-16-18-38(29(26)32(41)36-27)33(42)25(19-20(3)4)35-31(40)28(37(7)8)22(6)10-2/h11-15,17,20-22,25-29H,9-10,16,18-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)/b17-15-/t21-,22+,25+,26+,27+,28+,29+/m1/s1",CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C)Oc2ccc(cc2)/C=C\NC1=O,C33H51N5O5,pos_1_1proton1ethylamine,597.3890197319998,AOJOFALXLFIDNA,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Ziziphus xylopyra,6109108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus xylopyra'],6,3,7.5 71,14459,481,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.0,MS1_match,AOJOFALXLFIDNA-UHFFFAOYSA-N,"InChI=1S/C33H51N5O5/c1-9-21(5)27-30(39)34-17-15-23-11-13-24(14-12-23)43-26-16-18-38(29(26)32(41)36-27)33(42)25(19-20(3)4)35-31(40)28(37(7)8)22(6)10-2/h11-15,17,20-22,25-29H,9-10,16,18-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)",CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC(C)C)NC(=O)C(C(C)CC)N(C)C)Oc2ccc(cc2)C=CNC1=O,C33H51N5O5,pos_1_1proton1ethylamine,597.389019732,AOJOFALXLFIDNA,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Ziziphus mauritiana,556043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus mauritiana'],6,3,7.5 72,14458,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.4016256,ISDB,FMRHRMJAYYLKAI-MDSCQSBSSA-N,"InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48)/b28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO9,,715.5598330439999,FMRHRMJAYYLKAI,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],3,3,6.106502413749695 73,14456,226,Fatty acids,Sphingolipids,Ceramides,0.7379915,ISDB,YWZGQPJRQXHVQX-GGMPIESISA-N,"InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-38H,3-25,27,29-30H2,1-2H3,(H,35,39)/b28-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C34H67NO4,,553.507009624,YWZGQPJRQXHVQX,Fatty acids,Sphingolipids,Ceramides,Cortinarius vibratilis,839001.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Cortinariaceae'],['Unknown'],['Cortinarius'],['Cortinarius vibratilis'],1,3,5.451966047286987 74,14455,-1,,,,0.0,MS1_match,BXFIQIHHUYQVJG-ZGNLYJAISA-N,"InChI=1S/C22H36O3/c1-15(14-17(3)23)8-10-18-16(2)9-11-19-21(18,4)12-7-13-22(19,5)20(24)25-6/h15,18-19H,2,7-14H2,1,3-6H3/t15-,18-,19+,21+,22-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC(C)=O,C22H36O3,pos_2MHCH3CN,348.266445012,BXFIQIHHUYQVJG,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 75,14455,-1,,,,0.0,MS1_match,BXFIQIHHUYQVJG-RBESUQPCSA-N,"InChI=1S/C22H36O3/c1-15(14-17(3)23)8-10-18-16(2)9-11-19-21(18,4)12-7-13-22(19,5)20(24)25-6/h15,18-19H,2,7-14H2,1,3-6H3/t15-,18-,19+,21+,22+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC(C)=O,C22H36O3,pos_2MHCH3CN,348.266445012,BXFIQIHHUYQVJG,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 76,14455,-1,,,,0.0,MS1_match,ZLLSCHIRYLXIBT-KKIXBDIFSA-N,"InChI=1S/C22H36O3/c1-16(12-15-24-5)8-10-18-17(2)9-11-19-21(18,3)13-7-14-22(19,4)20(23)25-6/h12,18-19H,2,7-11,13-15H2,1,3-6H3/b16-12+/t18-,19+,21+,22-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC,C22H36O3,pos_2MHCH3CN,348.266445012,ZLLSCHIRYLXIBT,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 77,14454,-1,,,,0.40814182,ISDB,,,,,,,XQQARSOXXGMYHZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.632567286491394 78,14453,226,Fatty acids,Sphingolipids,Ceramides,0.7246971,ISDB,YWZGQPJRQXHVQX-GGMPIESISA-N,"InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-38H,3-25,27,29-30H2,1-2H3,(H,35,39)/b28-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C34H67NO4,,553.507009624,YWZGQPJRQXHVQX,Fatty acids,Sphingolipids,Ceramides,Cortinarius vibratilis,839001.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Cortinariaceae'],['Unknown'],['Cortinarius'],['Cortinarius vibratilis'],1,3,5.3987884521484375 79,14452,-1,,,,0.0,MS1_match,LTUMRKDLVGQMJU-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C,C18H30O,pos_2MH,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 80,14448,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.26127043,ISDB,,,,,,,ZJTSOHVFOHPWJC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0450817346572876 81,14439,481,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.25139132,ISDB,,,,,,,XIWJZXRHSHGJQJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0055652856826782 82,14438,-1,,,,0.62034214,ISDB,IYXBTKNDTJJVGH-XKHAUXSQSA-N,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)21(25)18-17-20(24)22(23)26/h9-10,17-18,20,22,24,26-27H,2-8,11-16,19H2,1H3/b10-9-/t20-,22+,23-/m0/s1",CCCCCCCC/C=C\CCCCCCC[C@]1(O)C(=O)C=C[C@H](O)[C@H]1O,C23H40O4,,380.2926597599999,IYXBTKNDTJJVGH,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Pleiogynium timoriense,405980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pleiogynium'],['Pleiogynium timoriense'],4,0,6.481368541717529 83,14438,-1,,,,0.62034214,ISDB,IYXBTKNDTJJVGH-XKHAUXSQSA-N,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)21(25)18-17-20(24)22(23)26/h9-10,17-18,20,22,24,26-27H,2-8,11-16,19H2,1H3/b10-9-/t20-,22+,23-/m0/s1",CCCCCCCC/C=C\CCCCCCC[C@]1(O)C(=O)C=C[C@H](O)[C@H]1O,C23H40O4,,380.2926597599999,IYXBTKNDTJJVGH,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Pleiogynium timorense,405980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pleiogynium'],['Pleiogynium timoriense'],4,0,6.481368541717529 84,14431,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.29757804,ISDB,FQFXYFNHFVFHPV-LPWJYYESSA-N,"InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3/t3-,4+,6+,7-/m1/s1",C[C@@H]1C[C@H](O)[C@H](O)[C@H](O)C1=O,C7H12O4,,160.073558864,FQFXYFNHFVFHPV,Carbohydrates,Polyols,Cyclitols,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.190312147140503 85,14431,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.29757804,ISDB,FQFXYFNHFVFHPV-UHFFFAOYSA-N,"InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3",CC1CC(O)C(O)C(O)C1=O,C7H12O4,,160.073558864,FQFXYFNHFVFHPV,Carbohydrates,Polyols,Cyclitols,Streptomyces griseorubiginosus,813421.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces griseorubiginosus'],0,0,1.190312147140503 86,14431,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.29757804,ISDB,FQFXYFNHFVFHPV-UHFFFAOYSA-N,"InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3",CC1CC(O)C(O)C(O)C1=O,C7H12O4,,160.073558864,FQFXYFNHFVFHPV,Carbohydrates,Polyols,Cyclitols,Streptomyces chromofuscus,167863.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces chromofuscus'],0,0,1.190312147140503 87,14430,226,Fatty acids,Sphingolipids,Ceramides,0.42843246,ISDB,,,,,,,HIMAOQJJMNAYIH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7137298583984375 88,14421,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.27837935,ISDB,PIJBDQIAXDOOIW-SESZBMLBSA-N,"InChI=1S/C41H75NO8/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-30-37(45)42-34(32-49-41-40(48)39(47)38(46)36(31-43)50-41)35(44)29-25-22-24-28-33(3)27-23-20-18-11-9-7-5-2/h23,25,27-29,34-36,38-41,43-44,46-48H,4-22,24,26,30-32H2,1-3H3,(H,42,45)/b27-23+,29-25+,33-28+/t34-,35+,36+,38+,39-,40+,41-/m1/s1",CCCCCCC/C=C/C(C)=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)NC(=O)CCCCCCCCCCCCCCC,C41H75NO8,,709.54926836,PIJBDQIAXDOOIW,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Thraustochytrium globosum,2810670.0,['Eukaryota'],['Unknown'],['Unknown'],['Labyrinthulomycetes'],['Unknown'],['Thraustochytriaceae'],['Unknown'],['Monorhizochytrium'],['Monorhizochytrium globosum'],1,3,3.6135174036026 89,14418,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,URPVRQMPLAUDPR-KJJVUBFFSA-N,"InChI=1S/C49H90O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h17-18,37-39,42-50,53-58H,3-16,19-36H2,1-2H3/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H90O15,pos_1_minus1proton2sodium,918.62797218,URPVRQMPLAUDPR,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Bauhinia racemosa,522553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia racemosa'],7,3,8.5 90,14418,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,URPVRQMPLAUDPR-KJJVUBFFSA-N,"InChI=1S/C49H90O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h17-18,37-39,42-50,53-58H,3-16,19-36H2,1-2H3/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H90O15,pos_1_minus1proton2sodium,918.62797218,URPVRQMPLAUDPR,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phanera vahlii,276264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Phanera'],['Phanera vahlii'],7,3,8.5 91,14413,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26106173,ISDB,XXMBGIMQDWOUJW-YVULUBTBSA-N,"InChI=1S/C41H77NO9/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-34(44)33(32-50-41-39(48)38(47)37(46)36(31-43)51-41)42-40(49)35(45)30-28-26-24-22-19-16-14-12-10-8-6-4-2/h18,20,25,27,33-39,41,43-48H,3-17,19,21-24,26,28-32H2,1-2H3,(H,42,49)/b20-18-,27-25+",CCCCCCCCC/C=C\CC/C=C/CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC,C41H77NO9,,727.559833044,XXMBGIMQDWOUJW,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Yarrowia deformans,5298917.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Dipodascaceae'],['Unknown'],['Yarrowia'],['Yarrowia deformans'],1,3,3.5442469120025635 92,14412,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.25974128,ISDB,PWEODBAAMOAXBH-UATBNLLJSA-N,"InChI=1S/C47H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-38-41-44-47(49)45-42-39-36-33-32-34-37-40-43-46(48)4-2/h1-2,5-6,22-23,28-29,40,43,46-49H,7-21,24-27,30-39H2/b6-5?,23-22?,29-28?,43-40+/t46-,47-/m1/s1",C#CC=CCCCCCCCCCCCCCCCC=CCCCCC=CCCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C,C47H72O2,,668.553231544,PWEODBAAMOAXBH,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Petrosia,389379.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Petrosia'],['Unknown'],1,3,3.538965106010437 93,14405,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.25495505,ISDB,XXMBGIMQDWOUJW-YVULUBTBSA-N,"InChI=1S/C41H77NO9/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-34(44)33(32-50-41-39(48)38(47)37(46)36(31-43)51-41)42-40(49)35(45)30-28-26-24-22-19-16-14-12-10-8-6-4-2/h18,20,25,27,33-39,41,43-48H,3-17,19,21-24,26,28-32H2,1-2H3,(H,42,49)/b20-18-,27-25+",CCCCCCCCC/C=C\CC/C=C/CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC,C41H77NO9,,727.559833044,XXMBGIMQDWOUJW,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Yarrowia deformans,5298917.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Dipodascaceae'],['Unknown'],['Yarrowia'],['Yarrowia deformans'],1,3,3.519820213317871 94,14391,3210,Terpenoids,Diterpenoids,Apocarotenoids (β-),0.61929107,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia umbelliformis,324916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia umbelliformis'],4,2,7.477164268493652 95,14391,3210,Terpenoids,Diterpenoids,Apocarotenoids (β-),0.61929107,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia splendens,324857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia splendens'],4,2,7.477164268493652 96,14385,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 97,14385,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 98,14385,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 99,14385,-1,,,,0.0,MS1_match,ZCFOBLITZWHNNC-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3",CCCCC=CC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,ZCFOBLITZWHNNC,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 100,14385,-1,,,,0.0,MS1_match,ZCFOBLITZWHNNC-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3",CCCCC=CC(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,ZCFOBLITZWHNNC,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],6,0,6.0 101,14385,-1,,,,0.0,MS1_match,FKMGZMDLSNOJPQ-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h6H,4-5H2,1-3H3",CCCC(=O)C=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,FKMGZMDLSNOJPQ,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 102,14385,-1,,,,0.0,MS1_match,APFBWMGEGSELQP-GJIOHYHPSA-N,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5+/t8-/m0/s1",C=C[C@H](O)C/C=C/CC,C8H14O,pos_1_minus1proton1magnesium,126.104465068,APFBWMGEGSELQP,Fatty acids,Fatty acyls,Fatty alcohols,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 103,14385,-1,,,,0.0,MS1_match,IZBMUZVSTLWUTH-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-4-5-6-7(2)8(3)9/h6H,4-5H2,1-3H3",CCCC=C(C)C(C)=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,IZBMUZVSTLWUTH,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 104,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-UHFFFAOYSA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,C50H82O,,698.636567244,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Cinnamomum subavenium,17156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum subavenium'],3,3,5.707846403121948 105,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-UHFFFAOYSA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,C50H82O,,698.636567244,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Litsea acutivena,18346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea acutivena'],3,3,5.707846403121948 106,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-UHFFFAOYSA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,C50H82O,,698.636567244,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Tarenaya spinosa,261467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Tarenaya'],['Tarenaya spinosa'],3,3,5.707846403121948 107,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-UHFFFAOYSA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,C50H82O,,698.636567244,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Cleome spinosa,261467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Tarenaya'],['Tarenaya spinosa'],3,3,5.707846403121948 108,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-UHFFFAOYSA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,C50H82O,,698.636567244,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],3,3,5.707846403121948 109,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-UHFFFAOYSA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,C50H82O,,698.636567244,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],3,3,5.707846403121948 110,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-WGSPHZLISA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3/b42-23+,43-25+,44-27+,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CO,C50H82O,,698.6365672439999,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],3,3,5.707846403121948 111,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-DJNGBRKISA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-",CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CO,C50H82O,,698.636567244,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],3,3,5.707846403121948 112,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-UHFFFAOYSA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3",CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,C50H82O,,698.636567244,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Esenbeckia nesiotica,6126271.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Esenbeckia'],['Esenbeckia nesiotica'],3,3,5.707846403121948 113,14384,533,Terpenoids,Polyprenols,Bactoprenols,0.3019616,ISDB,RORDEOUGMCQERP-WGSPHZLISA-N,"InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3/b42-23+,43-25+,44-27+,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CO,C50H82O,,698.6365672439999,RORDEOUGMCQERP,Terpenoids,Polyprenols,Bactoprenols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],3,3,5.707846403121948 114,14380,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.5946791,ISDB,,,,,,,MYFUOMYKCJURCV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.378716468811035 115,14378,-1,,,,0.0,MS1_match,NQFOSKZIWYOTPI-UHFFFAOYSA-N,"InChI=1S/C30H40O3/c1-18(2)21-11-9-20(10-12-21)15-22-16-25-29(5,6)13-8-14-30(25,7)26-24(22)17-23(19(3)4)27(31)33-28(26)32/h9-12,17-19,22,25H,8,13-16H2,1-7H3",CC(C)c1ccc(CC2CC3C(C)(C)CCCC3(C)c3c2cc(C(C)C)c(=O)oc3=O)cc1,C30H40O3,pos_1_1proton1methanol,448.29774514,NQFOSKZIWYOTPI,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 116,14378,-1,,,,0.0,MS1_match,NQFOSKZIWYOTPI-UHFFFAOYSA-N,"InChI=1S/C30H40O3/c1-18(2)21-11-9-20(10-12-21)15-22-16-25-29(5,6)13-8-14-30(25,7)26-24(22)17-23(19(3)4)27(31)33-28(26)32/h9-12,17-19,22,25H,8,13-16H2,1-7H3",CC(C)c1ccc(CC2CC3C(C)(C)CCCC3(C)c3c2cc(C(C)C)c(=O)oc3=O)cc1,C30H40O3,pos_1_1proton1methanol,448.29774514,NQFOSKZIWYOTPI,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 117,14378,-1,,,,0.0,MS1_match,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,pos_1_1proton1methanol,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 118,14377,591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7528993,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.511597156524658 119,14376,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.47652736,ISDB,,,,,,,FYYBTKGJGCSNCV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9061094522476196 120,14360,-1,,,,0.47346056,ISDB,SOJWLJKPIIODOH-QRVBRYPASA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,6.8938422203063965 121,14353,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.2275807,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],4,2,5.910322785377502 122,14351,-1,,,,0.5047035,ISDB,YEJNIBFGDXBKPG-SNEYCHJSSA-N,"InChI=1S/C25H36O/c1-16(2)5-6-17(3)23-11-12-24-22-9-7-18-15-19(26)8-10-20(18)21(22)13-14-25(23,24)4/h5-6,8,10,15-17,21-24,26H,7,9,11-14H2,1-4H3/b6-5+/t17-,21-,22-,23-,24+,25-/m1/s1",CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,C25H36O,,352.276615772,YEJNIBFGDXBKPG,Terpenoids,Steroids,Cholestane steroids,Dendronephthya studeri,3679477.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Dendronephthya'],['Dendronephthya studeri'],1,0,3.0188140869140625 123,14350,255,Terpenoids,Triterpenoids,Ergostane steroids,0.0,MS1_match,DNVPQKQSNYMLRS-PFQWWJQESA-N,"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H44O,pos_1_1proton1methanol,396.339216028,DNVPQKQSNYMLRS,Terpenoids,Steroids,Ergostane steroids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 124,14350,255,Terpenoids,Triterpenoids,Ergostane steroids,0.0,MS1_match,DNVPQKQSNYMLRS-PFQWWJQESA-N,"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H44O,pos_1_1proton1methanol,396.339216028,DNVPQKQSNYMLRS,Terpenoids,Steroids,Ergostane steroids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 125,14349,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5462826,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.68513035774231 126,14348,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4949531,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.479812383651733 127,14347,-1,,,,0.5354137,ISDB,VLFUANNVMXKBPF-QUMVNEPESA-N,"InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3/t19-,20+,22-,23-,24+,25+,27+,28-,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12,C30H48O2,,440.3654307759999,VLFUANNVMXKBPF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,9.14165472984314 128,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Erythrina sigmoidea,3921516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina sigmoidea'],3,3,5.971465587615967 129,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Arnebia euchroma,914167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia euchroma'],3,3,5.971465587615967 130,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Beilschmiedia tsangii,5699365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia tsangii'],3,3,5.971465587615967 131,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],3,3,5.971465587615967 132,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],3,3,5.971465587615967 133,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],3,3,5.971465587615967 134,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],3,3,5.971465587615967 135,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],3,3,5.971465587615967 136,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-UHFFFAOYSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3",CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(=O)CCC4(C)C3CCC21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Aphanamixis,956630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Unknown'],3,3,5.971465587615967 137,14343,2914,Terpenoids,Steroids,Ergostane steroids,0.3678664,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],3,3,5.971465587615967 138,14342,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.38226694,ISDB,MHHKIPCFWIQCPN-HHHXNRCGSA-N,"InChI=1S/C29H58N4O2/c1-5-17-28(34)19-12-10-8-6-7-9-11-18-27-26-29(35)30-20-15-23-31(2)21-13-14-22-32(3)24-16-25-33(27)4/h27H,5-26H2,1-4H3,(H,30,35)/t27-/m1/s1",CCCC(=O)CCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C,C29H58N4O2,,494.455977096,MHHKIPCFWIQCPN,Alkaloids,Ornithine alkaloids,Polyamines,Albizia amara,703120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia amara'],3,0,4.529067754745483 139,14341,1085,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6702071,ISDB,XEWGBGIXCMXJPI-KEGXSBDUSA-N,"InChI=1S/C20H32O2/c1-5-18(2)10-7-15-14(12-18)11-16(22)17-19(3,13-21)8-6-9-20(15,17)4/h5,16-17,21-22H,1,6-13H2,2-4H3/t16-,17?,18-,19-,20+/m0/s1",C=C[C@@]1(C)CCC2=C(C[C@H](O)C3[C@](C)(CO)CCC[C@]23C)C1,C20H32O2,,304.240230264,XEWGBGIXCMXJPI,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Tetraclinis articulata,194278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Tetraclinis'],['Tetraclinis articulata'],5,3,9.180828332901001 140,14340,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.26742238,ISDB,,,,,,,NSUHFZHIKMSXME,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0696895122528076 141,14339,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31280684,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.751227378845215 142,14339,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31280684,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.751227378845215 143,14338,-1,,,,0.23456225,ISDB,,,,,,,JLYDNXJQTBLQKZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9382489919662476 144,14335,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.21667117,ISDB,,,,,,,STLBBQTYUMXQQB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8666846752166748 145,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Erythrina sigmoidea,3921516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina sigmoidea'],4,3,6.940575480461121 146,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Arnebia euchroma,914167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia euchroma'],4,3,6.940575480461121 147,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Beilschmiedia tsangii,5699365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia tsangii'],4,3,6.940575480461121 148,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],4,3,6.940575480461121 149,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],4,3,6.940575480461121 150,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],4,3,6.940575480461121 151,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,6.940575480461121 152,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,6.940575480461121 153,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-UHFFFAOYSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3",CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(=O)CCC4(C)C3CCC21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Aphanamixis,956630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Unknown'],4,3,6.940575480461121 154,14334,2914,Terpenoids,Steroids,Ergostane steroids,0.36014387,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,3,6.940575480461121 155,14333,1354,Fatty acids,Glycerolipids,Monoacylglycerols,0.217634,ISDB,LXNSOWATMNHQMS-LEWJYISDSA-N,"InChI=1S/C23H44O7/c1-3-4-5-6-7-8-9-10-11-12-13-20(27)14-15-21(29-19(2)26)16-23(28)30-22(17-24)18-25/h20-22,24-25,27H,3-18H2,1-2H3/t20-,21+/m0/s1",CCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)OC(CO)CO)OC(C)=O,C23H44O7,,432.308703748,LXNSOWATMNHQMS,Fatty acids,Glycerolipids,Monoacylglycerols,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],3,3,5.370536029338837 156,14332,259,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.65941393,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],3,3,7.137655735015869 157,14331,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49471304,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.478852152824402 158,14329,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26713198,ISDB,HOMYIYLRRDTKAA-OMWTXZRHSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32?,33-,34-,35-,36-,37+,38-,40+/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],6,3,8.568527936935425 159,14329,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26713198,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,8.568527936935425 160,14329,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26713198,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rosa chinensis var. spontanea,489296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa chinensis'],6,3,8.568527936935425 161,14329,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26713198,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,3,8.568527936935425 162,14329,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26713198,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,3,8.568527936935425 163,14329,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26713198,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,3,8.568527936935425 164,14329,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26713198,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,3,8.568527936935425 165,14329,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26713198,ISDB,HOMYIYLRRDTKAA-UYIJODJPSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26-",CCCCCCCCC/C=C\CC/C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Albizia kalkora,78703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia kalkora'],6,3,8.568527936935425 166,14325,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.3952484,ISDB,,,,,,,STNMCYGVYVEEFU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.58099365234375 167,14319,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 168,14319,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 169,14319,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 170,14319,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 171,14319,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 172,14317,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.33915815,ISDB,ZRLAOEYZSKXGSL-RZRNQMRLSA-N,"InChI=1S/C43H70O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,22,36-37,40-44,47-49H,3-4,9-10,15-16,20-21,23-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC,C43H70O10,,746.49689844,ZRLAOEYZSKXGSL,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,5.856632590293884 173,14315,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5683896,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.773558378219604 174,14314,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2807024,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,10.622809648513794 175,14314,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2807024,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,10.622809648513794 176,14314,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2807024,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,10.622809648513794 177,14314,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2807024,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.622809648513794 178,14314,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2807024,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.622809648513794 179,14312,259,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.50260675,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus macrolepis,216741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus macrolepis'],5,1,7.510426998138428 180,14312,259,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.50260675,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,1,7.510426998138428 181,14309,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,RBLSXVITVQCZSU-PAMRQWRISA-N,"InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17-,18-,20+,21-/m0/s1",C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CCO,C21H36O3,pos_2MHCH3CN,336.266445012,RBLSXVITVQCZSU,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 182,14309,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,RBLSXVITVQCZSU-APOUVHJUSA-N,"InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17+,18-,20-,21+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@@H](C)CCO,C21H36O3,pos_2MHCH3CN,336.266445012,RBLSXVITVQCZSU,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],6,0,6.0 183,14309,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,BNYWADFAGBPZJB-VJOMLYSMSA-N,"InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3/b15-14+/t16-,17+,20-,21+/m0/s1",COC(=O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C21H36O3,pos_2MHCH3CN,336.266445012,BNYWADFAGBPZJB,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 184,14309,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,BXFIQIHHUYQVJG-ZGNLYJAISA-N,"InChI=1S/C22H36O3/c1-15(14-17(3)23)8-10-18-16(2)9-11-19-21(18,4)12-7-13-22(19,5)20(24)25-6/h15,18-19H,2,7-14H2,1,3-6H3/t15-,18-,19+,21+,22-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC(C)=O,C22H36O3,pos_2MHNH3,348.266445012,BXFIQIHHUYQVJG,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 185,14309,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,BXFIQIHHUYQVJG-RBESUQPCSA-N,"InChI=1S/C22H36O3/c1-15(14-17(3)23)8-10-18-16(2)9-11-19-21(18,4)12-7-13-22(19,5)20(24)25-6/h15,18-19H,2,7-14H2,1,3-6H3/t15-,18-,19+,21+,22+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC(C)=O,C22H36O3,pos_2MHNH3,348.266445012,BXFIQIHHUYQVJG,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 186,14309,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,ZLLSCHIRYLXIBT-KKIXBDIFSA-N,"InChI=1S/C22H36O3/c1-16(12-15-24-5)8-10-18-17(2)9-11-19-21(18,3)13-7-14-22(19,4)20(23)25-6/h12,18-19H,2,7-11,13-15H2,1,3-6H3/b16-12+/t18-,19+,21+,22-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC,C22H36O3,pos_2MHNH3,348.266445012,ZLLSCHIRYLXIBT,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 187,14308,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28767863,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.65071451663971 188,14305,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.73406565,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.436262607574463 189,14305,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.73406565,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.436262607574463 190,14300,21,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.46523535,ISDB,BIRUBGLRQLAEFF-UHFFFAOYSA-N,"InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,C31H62O2,,466.474981224,BIRUBGLRQLAEFF,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],5,3,8.360941410064697 191,14300,21,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.46523535,ISDB,BIRUBGLRQLAEFF-UHFFFAOYSA-N,"InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,C31H62O2,,466.474981224,BIRUBGLRQLAEFF,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],5,3,8.360941410064697 192,14297,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,ZHHYXNZJDGDGPJ-BSWSSELBSA-N,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+",CCCC/C=C/C=C/C=O,C9H14O,pos_1_minus1proton1magnesium,138.104465068,ZHHYXNZJDGDGPJ,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,3,7.5 193,14295,-1,,,,0.5105018,ISDB,ZHVMTWBQNOFIAG-LRDHLHFSSA-N,"InChI=1S/C29H54O/c1-21(2)12-9-10-13-22(3)16-17-23(4)14-11-15-24(5)18-19-28-26(7)20-25(6)27(8)29(28)30/h21-25,27H,9-20H2,1-8H3/t22-,23+,24-,25-,27+/m0/s1",CC1=C(CC[C@@H](C)CCC[C@@H](C)CC[C@@H](C)CCCCC(C)C)C(=O)[C@H](C)[C@@H](C)C1,C29H54O,,418.417466348,ZHVMTWBQNOFIAG,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],3,0,5.042007207870483 194,14294,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.5074435,ISDB,,,,,,,QFMSSLHZNJQRRD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0297739505767822 195,14290,2389,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.45944035,ISDB,QWUZNYCFLGLOKN-UHFFFAOYSA-N,"InChI=1S/C29H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(30)26-24-27-29(31)32/h28,30H,2-27H2,1H3,(H,31,32)",CCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O,C29H58O3,,454.438595716,QWUZNYCFLGLOKN,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Cerinthe minor,98424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Cerinthe'],['Cerinthe minor'],3,3,6.337761402130127 196,14282,921,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4010728,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.104291200637817 197,14276,-1,,,,0.51759446,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.070377826690674 198,14276,-1,,,,0.51759446,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,0,5.070377826690674 199,14266,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MK,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 200,14260,637,Terpenoids,Diterpenoids,Apocarotenoids (β-),0.61632043,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia umbelliformis,324916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia umbelliformis'],4,2,7.46528172492981 201,14260,637,Terpenoids,Diterpenoids,Apocarotenoids (β-),0.61632043,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia splendens,324857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia splendens'],4,2,7.46528172492981 202,14255,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_1proton1dmso,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],6,0,6.0 203,14255,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_1proton1dmso,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Geum reptans,829918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum reptans'],6,0,6.0 204,14246,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4059153,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,3,8.123661160469055 205,14245,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.59687006,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.88748025894165 206,14235,2121,Terpenoids,Diterpenoids,Labdane diterpenoids,0.39362407,ISDB,OZJBEUHJCWOKKL-SELSYRRVSA-N,"InChI=1S/C43H68O4/c1-30(15-17-35-32(3)16-18-36-40(6,7)23-12-24-43(35,36)10)21-27-46-38(44)29-39(45)47-28-22-31(2)19-25-41(8)34(5)20-26-42(9)33(4)13-11-14-37(41)42/h13,16,21-22,34-37H,11-12,14-15,17-20,23-29H2,1-10H3/b30-21+,31-22+/t34-,35-,36+,37+,41+,42+,43-/m1/s1",CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CC(=O)OC/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]12,C43H68O4,,648.511760656,OZJBEUHJCWOKKL,Terpenoids,Diterpenoids,Labdane diterpenoids,Parentucellia latifolia,981066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Rhinantheae'],['Parentucellia'],['Parentucellia latifolia'],4,3,7.074496269226074 207,14232,1593,Polyketides,Meroterpenoids,,0.4185951,ISDB,,,,,,,QWMMZXHJINOJSZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6743804216384888 208,14231,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,YFBMUIMQJYESPZ-XUGVLKDKSA-N,"InChI=1S/C32H54O2/c1-9-24(21(2)3)11-10-22(4)27-15-18-32(8)29-13-12-25-20-26(34-23(5)33)14-17-30(25,6)28(29)16-19-31(27,32)7/h16,21-22,24-27,29H,9-15,17-20H2,1-8H3/t22-,24-,25+,26+,27-,29-,30+,31-,32+/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C,C32H54O2,pos_1_1proton1ethylamine,470.412380968,YFBMUIMQJYESPZ,Terpenoids,Steroids,Stigmastane steroids,Cajanus cajan,612448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Cajanus'],['Cajanus cajan'],6,0,6.0 209,14231,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,YFBMUIMQJYESPZ-XUGVLKDKSA-N,"InChI=1S/C32H54O2/c1-9-24(21(2)3)11-10-22(4)27-15-18-32(8)29-13-12-25-20-26(34-23(5)33)14-17-30(25,6)28(29)16-19-31(27,32)7/h16,21-22,24-27,29H,9-15,17-20H2,1-8H3/t22-,24-,25+,26+,27-,29-,30+,31-,32+/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C,C32H54O2,pos_1_1proton1ethylamine,470.412380968,YFBMUIMQJYESPZ,Terpenoids,Steroids,Stigmastane steroids,Cajanus cajan,612448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Cajanus'],['Cajanus cajan'],6,0,6.0 210,14231,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,PGPIOJSFSMAPBR-SQZNAXJSSA-N,"InChI=1S/C32H54O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h12,20-22,24,26-30H,9-11,13-19H2,1-8H3/t21-,22+,24+,26-,27+,28+,29+,30+,31-,32+/m1/s1",CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C32H54O2,pos_1_1proton1ethylamine,470.412380968,PGPIOJSFSMAPBR,Terpenoids,Steroids,Ergostane steroids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 211,14230,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 212,14230,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 213,14230,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-UYIJODJPSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26-",CCCCCCCCC/C=C\CC/C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Albizia kalkora,78703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia kalkora'],6,0,6.0 214,14230,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-OMWTXZRHSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32?,33-,34-,35-,36-,37+,38-,40+/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],6,0,6.0 215,14230,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,0,6.0 216,14230,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,0,6.0 217,14230,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,0,6.0 218,14230,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rosa chinensis var. spontanea,489296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa chinensis'],6,0,6.0 219,14228,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.3972427,ISDB,,,,,,,STNMCYGVYVEEFU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5889707803726196 220,14227,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26367727,ISDB,HOMYIYLRRDTKAA-UYIJODJPSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26-",CCCCCCCCC/C=C\CC/C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Albizia kalkora,78703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia kalkora'],6,3,8.554709076881409 221,14227,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.26367727,ISDB,HOMYIYLRRDTKAA-OMWTXZRHSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32?,33-,34-,35-,36-,37+,38-,40+/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],6,3,8.554709076881409 222,14225,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,RBLSXVITVQCZSU-PAMRQWRISA-N,"InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17-,18-,20+,21-/m0/s1",C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CCO,C21H36O3,pos_2MHCH3CN,336.266445012,RBLSXVITVQCZSU,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 223,14225,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,RBLSXVITVQCZSU-APOUVHJUSA-N,"InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17+,18-,20-,21+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@@H](C)CCO,C21H36O3,pos_2MHCH3CN,336.266445012,RBLSXVITVQCZSU,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],6,0,6.0 224,14225,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,BNYWADFAGBPZJB-VJOMLYSMSA-N,"InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3/b15-14+/t16-,17+,20-,21+/m0/s1",COC(=O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C21H36O3,pos_2MHCH3CN,336.266445012,BNYWADFAGBPZJB,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 225,14225,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,BXFIQIHHUYQVJG-ZGNLYJAISA-N,"InChI=1S/C22H36O3/c1-15(14-17(3)23)8-10-18-16(2)9-11-19-21(18,4)12-7-13-22(19,5)20(24)25-6/h15,18-19H,2,7-14H2,1,3-6H3/t15-,18-,19+,21+,22-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC(C)=O,C22H36O3,pos_2MHNH3,348.266445012,BXFIQIHHUYQVJG,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 226,14225,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,BXFIQIHHUYQVJG-RBESUQPCSA-N,"InChI=1S/C22H36O3/c1-15(14-17(3)23)8-10-18-16(2)9-11-19-21(18,4)12-7-13-22(19,5)20(24)25-6/h15,18-19H,2,7-14H2,1,3-6H3/t15-,18-,19+,21+,22+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC(C)=O,C22H36O3,pos_2MHNH3,348.266445012,BXFIQIHHUYQVJG,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 227,14225,400,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,ZLLSCHIRYLXIBT-KKIXBDIFSA-N,"InChI=1S/C22H36O3/c1-16(12-15-24-5)8-10-18-17(2)9-11-19-21(18,3)13-7-14-22(19,4)20(23)25-6/h12,18-19H,2,7-11,13-15H2,1,3-6H3/b16-12+/t18-,19+,21+,22-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC,C22H36O3,pos_2MHNH3,348.266445012,ZLLSCHIRYLXIBT,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 228,14224,-1,,,,0.40258673,ISDB,,,,,,,DXCGBYCPMYNZGA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6103469133377075 229,14223,-1,,,,0.0,MS1_match,RBLSXVITVQCZSU-PAMRQWRISA-N,"InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17-,18-,20+,21-/m0/s1",C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CCO,C21H36O3,pos_2MCH3CNNa,336.266445012,RBLSXVITVQCZSU,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 230,14223,-1,,,,0.0,MS1_match,RBLSXVITVQCZSU-APOUVHJUSA-N,"InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17+,18-,20-,21+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@@H](C)CCO,C21H36O3,pos_2MCH3CNNa,336.266445012,RBLSXVITVQCZSU,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],6,0,6.0 231,14223,-1,,,,0.0,MS1_match,BNYWADFAGBPZJB-VJOMLYSMSA-N,"InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3/b15-14+/t16-,17+,20-,21+/m0/s1",COC(=O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C21H36O3,pos_2MCH3CNNa,336.266445012,BNYWADFAGBPZJB,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 232,14218,2184,Fatty acids,Fatty amides,N-acyl amines,0.8654415,ISDB,IMRCWIVSPJOTKF-UHFFFAOYSA-N,"InChI=1S/C30H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(33)31-27-26-28-22-24-29(32)25-23-28/h22-25,32H,2-21,26-27H2,1H3,(H,31,33)",CCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1,C30H53NO2,,459.407629936,IMRCWIVSPJOTKF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum leprieurii,1030233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum leprieurii'],0,3,4.961766004562378 233,14218,2184,Fatty acids,Fatty amides,N-acyl amines,0.8654415,ISDB,IMRCWIVSPJOTKF-UHFFFAOYSA-N,"InChI=1S/C30H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(33)31-27-26-28-22-24-29(32)25-23-28/h22-25,32H,2-21,26-27H2,1H3,(H,31,33)",CCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1,C30H53NO2,,459.407629936,IMRCWIVSPJOTKF,Fatty acids,Fatty amides,N-acyl amines,Tribulus cistoides,814385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zygophyllales'],['Zygophyllaceae'],['Unknown'],['Tribulus'],['Tribulus cistoides'],0,3,4.961766004562378 234,14216,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5680513,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,2,7.272205114364624 235,14215,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6732357,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.19294285774231 236,14213,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31499997,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.759999871253967 237,14213,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31499997,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.759999871253967 238,14210,164,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7753789,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.601515531539917 239,14208,347,Terpenoids,Triterpenoids,Cholestane steroids,0.5271523,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,11.108609199523926 240,14207,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7212355,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.884942054748535 241,14205,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.62764007,ISDB,LUKBYRDPGHEQLQ-IJZVGTJISA-N,"InChI=1S/C33H52O3/c1-26(2)15-17-32-18-16-31(8)30(7)13-9-22-28(5,12-11-25-29(22,6)20-34-27(3,4)36-25)23(30)10-14-33(31,35-21-32)24(32)19-26/h10,14,22-25H,9,11-13,15-21H2,1-8H3/t22-,23-,24-,25+,28+,29+,30-,31+,32-,33+/m1/s1",CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@@H]7OC(C)(C)OC[C@@]7(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1,C33H52O3,,496.391645524,LUKBYRDPGHEQLQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Buddleja asiatica,55258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja asiatica'],4,1,7.0105602741241455 242,14204,277,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.22515853,ISDB,PNIQIVJSZQAUEU-WVTHHNSMSA-N,"InChI=1S/C33H52O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h13,16,21,23,25,28-29H,3,11-12,14-15,17-20H2,1-2,4-10H3/t23-,25-,28+,29+,31-,32-,33+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C,C33H52O2,,480.396730904,PNIQIVJSZQAUEU,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],4,3,6.4006341099739075 243,14204,277,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.22515853,ISDB,PNIQIVJSZQAUEU-WVTHHNSMSA-N,"InChI=1S/C33H52O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h13,16,21,23,25,28-29H,3,11-12,14-15,17-20H2,1-2,4-10H3/t23-,25-,28+,29+,31-,32-,33+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C,C33H52O2,,480.396730904,PNIQIVJSZQAUEU,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],4,3,6.4006341099739075 244,14203,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton1isopropanol,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,3,8.5 245,14197,637,Terpenoids,Diterpenoids,Apocarotenoids (β-),0.6192075,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia umbelliformis,324916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia umbelliformis'],4,2,7.476830005645752 246,14197,637,Terpenoids,Diterpenoids,Apocarotenoids (β-),0.6192075,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia splendens,324857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia splendens'],4,2,7.476830005645752 247,14195,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.57527846,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.801113843917847 248,14193,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41523933,ISDB,WSKGRAGZAQRSED-UFYCRDLUSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.160957336425781 249,14193,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41523933,ISDB,WSKGRAGZAQRSED-UFYCRDLUSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.160957336425781 250,14193,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41523933,ISDB,WSKGRAGZAQRSED-UFYCRDLUSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.160957336425781 251,14190,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.22530751,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],4,2,5.901230037212372 252,14184,1085,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.5066111,ISDB,OJSKJQFODPKTBT-HUTLCRKWSA-N,"InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16+,17-,18+,19+,20-/m0/s1",C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,OJSKJQFODPKTBT,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.526444435119629 253,14184,1085,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.5066111,ISDB,OJSKJQFODPKTBT-APNJTCTJSA-N,"InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16+,17-,18-,19+,20-/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,OJSKJQFODPKTBT,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,8.526444435119629 254,14183,2182,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.24901398,ISDB,ACNZSZPAYNDIRJ-HHWUJTSKSA-N,"InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6?,25-23?,28-26+",C#CC(O)/C=C/CCCCCC#CCC=CCCCCCCCCCCCC=CC#CC(=O)O,C31H44O3,,464.329045268,ACNZSZPAYNDIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Callyspongia truncata,2834336.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Callyspongia truncata'],1,3,3.4960559010505676 255,14183,2182,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.24901398,ISDB,ACNZSZPAYNDIRJ-FPSGETDVSA-N,"InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23-,28-26+/t30-/m0/s1",C#C[C@H](O)/C=C/CCCCCC#CC/C=C\CCCCCCCCCCC/C=C\C#CC(=O)O,C31H44O3,,464.329045268,ACNZSZPAYNDIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Petrosia corticata,4939078.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Petrosia'],['Petrosia corticata'],1,3,3.4960559010505676 256,14181,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4756024,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.402409553527832 257,14179,-1,,,,0.0,MS1_match,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,pos_1_1sodium,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 258,14179,-1,,,,0.0,MS1_match,ODFCWXVQZAQDSO-CMKODMSKSA-N,"InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C20H30O2,pos_1_1sodium,302.2245802,ODFCWXVQZAQDSO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 259,14178,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6727492,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6909968852996826 260,14175,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.728004,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.412015914916992 261,14175,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.728004,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.412015914916992 262,14174,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.586613,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],7,3,10.846451997756958 263,14172,1211,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.5926601,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.870640516281128 264,14167,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.39021757,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,3,8.060870289802551 265,14166,724,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5408774,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,10.663509607315063 266,14163,2679,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3411255,ISDB,WISSQECJGFKWLU-OWVCEBFMSA-N,"InChI=1S/C31H48O2/c1-20(2)18-22(33-9)19-21(3)23-12-16-31(8)25-10-11-26-28(4,5)27(32)14-15-29(26,6)24(25)13-17-30(23,31)7/h10,13,18,21-23,26H,11-12,14-17,19H2,1-9H3/t21-,22+,23-,26-,29+,30-,31+/m0/s1",CO[C@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C,C31H48O2,,452.365430776,WISSQECJGFKWLU,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus walteri,505082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus walteri'],4,3,6.864501953125 267,14160,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46259508,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.350380301475525 268,14158,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3108745,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,8.743497967720032 269,14158,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3108745,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,8.743497967720032 270,14158,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3108745,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,8.743497967720032 271,14157,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,ABPDEYSUVLXYCB-LTAFMQJZSA-N,"InChI=1S/C31H48O4/c1-19-16-30(34-24(19)32)17-20(2)31(35-30)15-12-26(5)22-9-8-21-25(3,4)23(33-7)10-11-28(21)18-29(22,28)14-13-27(26,31)6/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22+,23+,26-,27+,28-,29+,30+,31+/m1/s1",CO[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@]5(CC[C@]2(C)[C@@H]4CC[C@H]3C1(C)C)O[C@@]1(C[C@@H](C)C(=O)O1)C[C@@H]5C,C31H48O4,pos_1_1proton1ammonium,484.355260016,ABPDEYSUVLXYCB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,2,8.0 272,14156,-1,,,,0.5764945,ISDB,LIZCDERBRFQENY-DVZWNPLOSA-N,"InChI=1S/C23H36O/c1-3-4-5-6-7-8-9-10-11-16-20-14-19-17-12-13-18(21(19)15(2)24)22(16)23(17)20/h12-13,16-23H,3-11,14H2,1-2H3/t16-,17+,18+,19+,20+,21+,22-,23-/m1/s1",CCCCCCCCCC[C@@H]1[C@@H]2C[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C(C)=O)[C@@H]1[C@H]42,C23H36O,,328.276615772,LIZCDERBRFQENY,,,,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],3,0,5.305978059768677 273,14155,1175,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33105394,ISDB,YBFDEMZEWRINKR-FNORWQNLSA-N,"InChI=1S/C22H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5,7H,6,8-14,16,18-22H2/b7-5+",C#C/C=C/CCCC#CCCCCCCCCCCCC#C,C22H32,,296.250401024,YBFDEMZEWRINKR,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,0,2.3242157697677612 274,14154,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 275,14153,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.563298,ISDB,ABPDEYSUVLXYCB-LTAFMQJZSA-N,"InChI=1S/C31H48O4/c1-19-16-30(34-24(19)32)17-20(2)31(35-30)15-12-26(5)22-9-8-21-25(3,4)23(33-7)10-11-28(21)18-29(22,28)14-13-27(26,31)6/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22+,23+,26-,27+,28-,29+,30+,31+/m1/s1",CO[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@]5(CC[C@]2(C)[C@@H]4CC[C@H]3C1(C)C)O[C@@]1(C[C@@H](C)C(=O)O1)C[C@@H]5C,C31H48O4,,484.355260016,ABPDEYSUVLXYCB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,2,10.253191947937012 276,14151,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.38755482,ISDB,HFWSHEGCAPRVLI-BJLLYVFTSA-N,"InChI=1S/C21H34O3/c1-7-18(2)13-9-16-19(3)11-8-12-20(4,17(22)23-6)15(19)10-14-21(16,5)24-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16-,18+,19+,20+,21-/m1/s1",C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@](C)(C(=O)OC)[C@@H]3CC[C@@]2(C)O1,C21H34O3,,334.250794948,HFWSHEGCAPRVLI,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.050219297409058 277,14150,1929,Terpenoids,Triterpenoids,Serratane triterpenoids,0.511499,ISDB,FDQQJDSRVSMJPR-LVMULPTPSA-N,"InChI=1S/C31H46O3/c1-19(32)34-26-13-15-29(6)24(28(26,4)5)12-16-30(7)25(29)10-9-22-21-17-27(2,3)14-11-20(21)23(33)18-31(22,30)8/h9,24-26H,10-18H2,1-8H3/t24-,25+,26-,29-,30+,31+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4C5=C(CCC(C)(C)C5)C(=O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H46O3,,466.344695332,FDQQJDSRVSMJPR,Terpenoids,Triterpenoids,Serratane triterpenoids,Marah macrocarpa,1066437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Marah'],['Marah macrocarpa'],3,3,6.5459959506988525 278,14149,547,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.72032005,ISDB,YOLUHJBWUANMDW-XRMRDTNMSA-N,"InChI=1S/C16H22O2/c1-9-14-12-7-6-10-4-3-5-11(16(10,12)2)8-13(14)18-15(9)17/h10-13H,3-8H2,1-2H3/t10-,11-,12+,13+,16-/m1/s1",CC1=C2[C@H](C[C@H]3CCC[C@@H]4CC[C@@H]2[C@]43C)OC1=O,C16H22O2,,246.161979944,YOLUHJBWUANMDW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Goniophlebium niponicum,436745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Polypodiaceae'],['Unknown'],['Goniophlebium'],['Goniophlebium niponicum'],3,3,7.381280183792114 279,14147,-1,,,,0.70946157,ISDB,DZBDDACPJRFJGO-NXBFSHDWSA-N,"InChI=1S/C19H34N2O2/c1-13-9-14(11-16-5-3-4-8-21(16)2)17-7-6-15(12-19(22)23)20-18(17)10-13/h13-18,20H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,17+,18-/m1/s1",C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CC[C@@H](CC(=O)O)N[C@@H]2C1,C19H34N2O2,,322.262028328,DZBDDACPJRFJGO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lycopodiella cernua,429356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Palhinhaea'],['Palhinhaea cernua'],3,0,5.837846279144287 280,14146,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67808974,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.2123589515686035 281,14146,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67808974,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.2123589515686035 282,14145,-1,,,,0.754884,ISDB,PMRJYBALQVLLSJ-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-3-11-5-4-6-12-8-7-10(2)13(12)9-11/h4-6,9H,3,7-8H2,1-2H3",CCC1=CC2=C(C)CCC2=CC=C1,C13H16,,172.125200512,PMRJYBALQVLLSJ,,,,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],3,0,6.019536018371582 283,14144,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.54881924,ISDB,,,,,,,BGHHDYJESBDRHA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.195276975631714 284,14140,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.238099,ISDB,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,7.452395975589752 285,14132,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6109837,ISDB,ISHVJVXYPLFKAL-AZUAARDMSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.943934917449951 286,14129,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.72647536,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.4059014320373535 287,14129,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.72647536,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.4059014320373535 288,14128,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48243433,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.429737329483032 289,14128,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48243433,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.429737329483032 290,14127,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5634425,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.753770112991333 291,14127,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5634425,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.753770112991333 292,14127,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5634425,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.753770112991333 293,14124,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4216188,ISDB,MHHKIPCFWIQCPN-HHHXNRCGSA-N,"InChI=1S/C29H58N4O2/c1-5-17-28(34)19-12-10-8-6-7-9-11-18-27-26-29(35)30-20-15-23-31(2)21-13-14-22-32(3)24-16-25-33(27)4/h27H,5-26H2,1-4H3,(H,30,35)/t27-/m1/s1",CCCC(=O)CCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C,C29H58N4O2,,494.455977096,MHHKIPCFWIQCPN,Alkaloids,Ornithine alkaloids,Polyamines,Albizia amara,703120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia amara'],3,0,4.686475157737732 294,14123,959,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47653753,ISDB,,,,,,,LGOOJOBYSHNUMW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9061501026153564 295,14122,-1,,,,0.51812,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus macrolepis,216741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus macrolepis'],5,0,7.072479963302612 296,14122,-1,,,,0.51812,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,0,7.072479963302612 297,14120,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.2500359,ISDB,ZJWLHGSPTSANOO-UJURSFKZSA-N,"InChI=1S/C6H14N2O3/c1-4(7)2-3-6(8,11)5(9)10/h4,11H,2-3,7-8H2,1H3,(H,9,10)/t4-,6+/m0/s1",C[C@H](N)CC[C@@](N)(O)C(=O)O,C6H14N2O3,,162.100442308,ZJWLHGSPTSANOO,Amino acids and Peptides,Small peptides,Aminoacids,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],3,0,4.000143647193909 298,14118,-1,,,,0.4667816,ISDB,,,,,,,FYYBTKGJGCSNCV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8671263456344604 299,14114,1211,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.5999573,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.899829149246216 300,14113,357,Fatty acids,Fatty amides,Hydroxy fatty acids,0.0,MS1_match,ICAIHSUWWZJGHD-UHFFFAOYSA-N,"InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34)",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C32H64O2,pos_2_2proton2acetonitrile,480.4906312879999,ICAIHSUWWZJGHD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Butea monosperma,170163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Butea'],['Butea monosperma'],6,3,7.5 301,14112,-1,,,,0.6110404,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.444161653518677 302,14112,-1,,,,0.6110404,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.444161653518677 303,14106,-1,,,,0.7786035,ISDB,MEIMTLGZEJLCSF-ZHLJVWIKSA-N,"InChI=1S/C30H40O/c1-18(2)21-9-7-19(3)25-15-23(27(17-31)26(25)14-21)13-22-11-12-30-20(4)8-10-24(16-28(22)30)29(30,5)6/h13,15,17,19-21,24H,1,7-12,14,16H2,2-6H3/b23-13+/t19-,20-,21-,24-,30+/m1/s1",C=C(C)[C@@H]1CC[C@@H](C)C2=C/C(=C\C3=C4C[C@H]5CC[C@@H](C)[C@]4(CC3)C5(C)C)C(C=O)=C2C1,C30H40O,,416.3079159,MEIMTLGZEJLCSF,Terpenoids,Sesquiterpenoids,,Joannesia princeps,485781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Joannesia'],['Joannesia princeps'],3,0,6.1144139766693115 304,14101,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.26420385,ISDB,SQIQZZJGWUWAFZ-ATWHLBAUSA-N,"InChI=1S/C47H72O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,40-41,44-48,51-53H,3-4,9-10,15-16,20,24-25,30-39H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t40-,41+,44-,45-,46+,47+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C47H72O10,,796.512548504,SQIQZZJGWUWAFZ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],1,3,3.5568153858184814 305,14101,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.26420385,ISDB,SQIQZZJGWUWAFZ-CYDYOASLSA-N,"InChI=1S/C47H72O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,40-41,44-48,51-53H,3-4,9-10,15-16,20,24-25,30-39H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,21-18+,23-22+,28-26+,29-27+/t40-,41-,44+,45+,46-,47-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C47H72O10,,796.512548504,SQIQZZJGWUWAFZ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma,725550.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Unknown'],1,3,3.5568153858184814 306,14093,-1,,,,0.72746533,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.909861326217651 307,14091,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.35180312,ISDB,,,,,,,VJNZTCUJHBGUCY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.407212495803833 308,14090,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47220254,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.388810157775879 309,14088,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5018862,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],3,0,5.007544755935669 310,14088,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5018862,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],3,0,5.007544755935669 311,14088,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5018862,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],3,0,5.007544755935669 312,14086,824,Fatty acids,Glycerolipids,,0.25986892,ISDB,YTZVSMIKWGYJCS-KTQSWVMESA-N,"InChI=1S/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1",CCC/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC,C42H77NO7,,707.5700038039998,YTZVSMIKWGYJCS,Fatty acids,Glycerolipids,,Bathymodiolus thermophilus,237311.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Bathymodiolus'],['Bathymodiolus thermophilus'],1,2,3.039475679397583 313,14083,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.36248142,ISDB,JVUSSFLOGJOFHV-SSKUIUDESA-N,"InChI=1S/C43H72O13/c1-21-29(47)34(56-36-32(50)31(49)30(48)25(19-44)54-36)33(51)37(53-21)55-28-11-12-40(6)26(39(28,4)5)10-13-41(7)35(40)24(52-9)16-22-23-17-38(2,3)14-15-43(23,20-45)27(46)18-42(22,41)8/h16,21,23-37,44-51H,10-15,17-20H2,1-9H3/t21-,23?,24-,25-,26?,27?,28+,29+,30-,31+,32-,33-,34+,35?,36+,37+,40+,41-,42-,43?/m1/s1",CO[C@@H]1C=C2C3CC(C)(C)CCC3(CO)C(O)C[C@@]2(C)[C@]2(C)CCC3C(C)(C)[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@]3(C)C12,C43H72O13,,796.497292364,JVUSSFLOGJOFHV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum scorzonerifolium,49596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum scorzonerifolium'],3,0,4.449925661087036 314,14083,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.36248142,ISDB,JVUSSFLOGJOFHV-BGYKETSFSA-N,"InChI=1S/C43H72O13/c1-21-29(47)34(56-36-32(50)31(49)30(48)25(19-44)54-36)33(51)37(53-21)55-28-11-12-40(6)26(39(28,4)5)10-13-41(7)35(40)24(52-9)16-22-23-17-38(2,3)14-15-43(23,20-45)27(46)18-42(22,41)8/h16,21,23-37,44-51H,10-15,17-20H2,1-9H3/t21-,23+,24-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,40+,41-,42-,43-/m1/s1",CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@]3(C)[C@@H]12,C43H72O13,,796.4972923640001,JVUSSFLOGJOFHV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum falcatum,892026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum falcatum'],3,0,4.449925661087036 315,14068,-1,,,,0.5963961,ISDB,,,,,,,ZYFMPZJVWWTDAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3855843544006348 316,14067,2107,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5490826,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,3,9.696330308914185 317,14067,2107,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5490826,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.696330308914185 318,14067,2107,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5490826,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.696330308914185 319,14067,2107,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5490826,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.696330308914185 320,14054,-1,,,,0.6434619,ISDB,PCLDEDSUWNZZDJ-WAKWZFOWSA-N,"InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16-,17-,19+,20+/m0/s1",C=C1CC[C@H]2[C@](C)(CC[C@H]3C[C@]32C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O2,,302.2245802,PCLDEDSUWNZZDJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,8.573847532272339 321,14053,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6463446,ISDB,GDLRDIDXYBIPFY-YWZLYKJASA-N,"InChI=1S/C20H28O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9,11,15,22-23H,6-8,10H2,1-5H3/t15-,20-/m0/s1",CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O3,,316.203844756,GDLRDIDXYBIPFY,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.085378408432007 322,14050,-1,,,,0.55836517,ISDB,,,,,,,WMLLWQXZYRMNQF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2334606647491455 323,14047,1593,Polyketides,Meroterpenoids,,0.41770428,ISDB,,,,,,,QWMMZXHJINOJSZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6708171367645264 324,14046,-1,,,,0.80467665,ISDB,KYEPDZAEZNKJIE-INIZCTEOSA-N,"InChI=1S/C21H26O2/c1-11(2)13-7-8-14-15-9-10-16-18(15)20(23-21(16,4)5)19(22-6)17(14)12(13)3/h7-8,11,16H,9-10H2,1-6H3/t16-/m0/s1",COc1c2c3c(c4ccc(C(C)C)c(C)c14)CC[C@@H]3C(C)(C)O2,C21H26O2,,310.193280072,KYEPDZAEZNKJIE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia prionitis,31097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia prionitis'],3,0,6.2187066078186035 325,14030,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7322207,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.428882837295532 326,14030,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7322207,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.428882837295532 327,14028,-1,,,,0.51812667,ISDB,BVYCAPFVTXXBQK-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C2C1C,C30H46O,,422.354866092,BVYCAPFVTXXBQK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sida acuta,515749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sida'],['Sida acuta'],4,0,6.072506666183472 328,14021,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.24127351,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],4,2,5.965094029903412 329,14017,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.56766313,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,2,7.270652532577515 330,14015,23,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.7395814,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,12.458325624465942 331,14014,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.28139174,ISDB,,,,,,,ZJTSOHVFOHPWJC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1255669593811035 332,14010,730,Terpenoids,Diterpenoids,Phytane diterpenoids,0.0,MS1_match,WHWDWIHXSPCOKZ-UHFFFAOYSA-N,"InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3",CC(=O)CCCC(C)CCCC(C)CCCC(C)C,C18H36O,pos_1_1proton1acetonitrile,268.276615772,WHWDWIHXSPCOKZ,Terpenoids,Diterpenoids,Phytane diterpenoids,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],7,3,8.5 333,14010,730,Terpenoids,Diterpenoids,Phytane diterpenoids,0.0,MS1_match,WHWDWIHXSPCOKZ-UHFFFAOYSA-N,"InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3",CC(=O)CCCC(C)CCCC(C)CCCC(C)C,C18H36O,pos_1_1proton1acetonitrile,268.276615772,WHWDWIHXSPCOKZ,Terpenoids,Diterpenoids,Phytane diterpenoids,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],7,3,8.5 334,14006,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.24095435,ISDB,NGYUWEODGOBJKH-BAKPKTSYSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h23,25,31-38,40,42-48H,3-22,24,26-30H2,1-2H3,(H,41,49)/b25-23+/t31-,32+,33+,34+,35-,36+,37-,38+,40+/m0/s1",CCCCCCCCCCC/C=C/C[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO10,,731.554747664,NGYUWEODGOBJKH,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Hippophae rhamnoides,623185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Unknown'],['Hippophae rhamnoides'],5,3,7.4638174176216125 335,14005,226,Fatty acids,Sphingolipids,Ceramides,0.4194636,ISDB,,,,,,,HIMAOQJJMNAYIH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6778544187545776 336,14000,936,Terpenoids,Diterpenoids,Abietane diterpenoids,0.66429496,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.157179832458496 337,13999,255,Terpenoids,Triterpenoids,Ergostane steroids,0.39992294,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,1,6.09969174861908 338,13996,-1,,,,0.9117032,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,0,4.646812915802002 339,13996,-1,,,,0.9117032,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,0,4.646812915802002 340,13995,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MNa,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 341,13995,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MNa,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 342,13994,3210,Terpenoids,Diterpenoids,Apocarotenoids (β-),0.62358654,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia umbelliformis,324916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia umbelliformis'],4,2,7.4943461418151855 343,13994,3210,Terpenoids,Diterpenoids,Apocarotenoids (β-),0.62358654,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia splendens,324857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia splendens'],4,2,7.4943461418151855 344,13991,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24837315,ISDB,SQIQZZJGWUWAFZ-ATWHLBAUSA-N,"InChI=1S/C47H72O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,40-41,44-48,51-53H,3-4,9-10,15-16,20,24-25,30-39H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t40-,41+,44-,45-,46+,47+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C47H72O10,,796.512548504,SQIQZZJGWUWAFZ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],1,3,3.493492603302002 345,13991,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24837315,ISDB,SQIQZZJGWUWAFZ-CYDYOASLSA-N,"InChI=1S/C47H72O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,40-41,44-48,51-53H,3-4,9-10,15-16,20,24-25,30-39H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,21-18+,23-22+,28-26+,29-27+/t40-,41-,44+,45+,46-,47-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C47H72O10,,796.512548504,SQIQZZJGWUWAFZ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma,725550.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Unknown'],1,3,3.493492603302002 346,13988,2180,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28027332,ISDB,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,9.621093273162842 347,13986,824,Fatty acids,Glycerolipids,,0.2250505,ISDB,YTZVSMIKWGYJCS-KTQSWVMESA-N,"InChI=1S/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1",CCC/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC,C42H77NO7,,707.5700038039998,YTZVSMIKWGYJCS,Fatty acids,Glycerolipids,,Bathymodiolus thermophilus,237311.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Bathymodiolus'],['Bathymodiolus thermophilus'],1,2,2.900201976299286 348,13985,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MHNH3,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 349,13985,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2MHNH3,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 350,13984,-1,,,,0.23856889,ISDB,JVQXCSNXHNUDOP-OKEZYHIISA-N,"InChI=1S/C41H64N8O9/c1-10-23(7)33-39(56)43-25(9)35(52)47-34(24(8)11-2)40(57)46-32(22(5)6)41(58)49-18-12-13-29(49)37(54)42-20-30(51)44-28(19-26-14-16-27(50)17-15-26)36(53)45-31(21(3)4)38(55)48-33/h14-17,21-25,28-29,31-34,50H,10-13,18-20H2,1-9H3,(H,42,54)(H,43,56)(H,44,51)(H,45,53)(H,46,57)(H,47,52)(H,48,55)/t23-,24+,25+,28+,29+,31+,32+,33+,34+/m1/s1",CC[C@@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC1=O,C41H64N8O9,,812.479625628,JVQXCSNXHNUDOP,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,0,4.954275548458099 351,13982,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ethylamine,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 352,13982,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ethylamine,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 353,13980,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.35111368,ISDB,,,,,,,AEOPOJXVDKIMSQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4044547080993652 354,13979,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.50328404,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,6.013136148452759 355,13979,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.50328404,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,0,6.013136148452759 356,13979,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.50328404,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,0,6.013136148452759 357,13977,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,pos_1_1proton1methanol,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,2,8.0 358,13976,124,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 359,13976,124,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 360,13975,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.29715237,ISDB,,,,,,,VJNZTCUJHBGUCY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1886094808578491 361,13972,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.47957888,ISDB,,,,,,,FYYBTKGJGCSNCV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9183155298233032 362,13968,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.26747206,ISDB,WPQMVASLVXEISM-XTKDNXAFSA-N,"InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h14-15,17-18H,2,6-13H2,1,3-5H3/t15-,17-,18+,20+,21+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC=O,C21H34O3,,334.250794948,WPQMVASLVXEISM,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],7,3,9.569888234138489 363,13967,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.46772677,ISDB,,,,,,,FYYBTKGJGCSNCV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8709070682525635 364,13966,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4005035,ISDB,RWXWCAZLEFJOFU-RJHJVATBSA-N,"InChI=1S/C36H66O6/c1-5-8-10-12-14-16-18-20-22-24-26-28-34(37)40-30-33(31-41-36(39)32(4)7-3)42-35(38)29-27-25-23-21-19-17-15-13-11-9-6-2/h7,33H,5-6,8-31H2,1-4H3/b32-7-/t33-/m1/s1",C/C=C(/C)C(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,C36H66O6,,594.485939832,RWXWCAZLEFJOFU,Fatty acids,Glycerolipids,Triacylglycerols,Metalasia cymbifolia,5522335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Metalasia'],['Metalasia cymbifolia'],3,0,4.602013945579529 365,13963,-1,,,,0.29217905,ISDB,,,,,,,DPRXQVIZBLENFV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1687161922454834 366,13960,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4867879,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.4471515417099 367,13958,-1,,,,0.0,MS1_match,BYQMQHNNJXDZRO-HZJYTTRNSA-N,"InChI=1S/C25H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-20-18-22(19-21-23)25(27)28/h6-7,9-10,18-21H,2-5,8,11-17H2,1H3,(H,27,28)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C25H36O4,pos_3_1proton2sodium,400.261359632,BYQMQHNNJXDZRO,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 368,13958,-1,,,,0.0,MS1_match,BYQMQHNNJXDZRO-HZJYTTRNSA-N,"InChI=1S/C25H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-20-18-22(19-21-23)25(27)28/h6-7,9-10,18-21H,2-5,8,11-17H2,1H3,(H,27,28)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C25H36O4,pos_3_1proton2sodium,400.261359632,BYQMQHNNJXDZRO,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 369,13954,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34660408,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.88641631603241 370,13954,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34660408,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.88641631603241 371,13953,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.66562665,ISDB,RVTIHKZBOYUZMJ-OZWDTECOSA-N,"InChI=1S/C33H52O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32(35)36-31-27-28(2)22-21-23-29(3)30(34)25-26-33(31,4)5/h10-11,13-14,23,25-27,31H,6-9,12,15-22,24H2,1-5H3/b11-10-,14-13-,26-25+,28-27+,29-23+/t31-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)C(=O)/C=C/C1(C)C,C33H52O3,,496.391645524,RVTIHKZBOYUZMJ,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Lactarius aurantiacus,77181.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius aurantiacus'],1,3,5.162506580352783 372,13953,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.66562665,ISDB,RVTIHKZBOYUZMJ-OZWDTECOSA-N,"InChI=1S/C33H52O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32(35)36-31-27-28(2)22-21-23-29(3)30(34)25-26-33(31,4)5/h10-11,13-14,23,25-27,31H,6-9,12,15-22,24H2,1-5H3/b11-10-,14-13-,26-25+,28-27+,29-23+/t31-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)C(=O)/C=C/C1(C)C,C33H52O3,,496.391645524,RVTIHKZBOYUZMJ,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Lactarius mitissimus,77181.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius aurantiacus'],1,3,5.162506580352783 373,13952,-1,,,,0.7237343,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.89493727684021 374,13948,2121,Terpenoids,Diterpenoids,Labdane diterpenoids,0.40719512,ISDB,MVCQNWZGEMLNNR-RYRGWUOESA-N,"InChI=1S/C43H66O4/c1-28(12-15-32-29(2)13-16-33-39(4,5)20-10-22-41(32,33)8)19-25-46-36(44)26-37(45)47-38-30(3)31-14-17-35-42(9)23-11-21-40(6,7)34(42)18-24-43(35,38)27-31/h19,31-35,38H,2-3,10-18,20-27H2,1,4-9H3/b28-19+/t31-,32-,33-,34-,35+,38-,41+,42-,43-/m1/s1",C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CC(=O)O[C@@H]1C(=C)[C@@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]13C2,C43H66O4,,646.496110592,MVCQNWZGEMLNNR,Terpenoids,Diterpenoids,Labdane diterpenoids,Nardia succulenta,502938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Gymnomitriaceae'],['Unknown'],['Nardia'],['Nardia succulenta'],3,3,6.128780484199524 375,13947,-1,,,,0.35172382,ISDB,,,,,,,KNKLBPBRIFQQDW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4068952798843384 376,13946,1354,Fatty acids,Glycerolipids,Monoacylglycerols,0.2735024,ISDB,LXNSOWATMNHQMS-LEWJYISDSA-N,"InChI=1S/C23H44O7/c1-3-4-5-6-7-8-9-10-11-12-13-20(27)14-15-21(29-19(2)26)16-23(28)30-22(17-24)18-25/h20-22,24-25,27H,3-18H2,1-2H3/t20-,21+/m0/s1",CCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)OC(CO)CO)OC(C)=O,C23H44O7,,432.308703748,LXNSOWATMNHQMS,Fatty acids,Glycerolipids,Monoacylglycerols,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],3,3,5.594009637832642 377,13942,1354,Fatty acids,Glycerolipids,Monoacylglycerols,0.2693596,ISDB,LXNSOWATMNHQMS-LEWJYISDSA-N,"InChI=1S/C23H44O7/c1-3-4-5-6-7-8-9-10-11-12-13-20(27)14-15-21(29-19(2)26)16-23(28)30-22(17-24)18-25/h20-22,24-25,27H,3-18H2,1-2H3/t20-,21+/m0/s1",CCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)OC(CO)CO)OC(C)=O,C23H44O7,,432.308703748,LXNSOWATMNHQMS,Fatty acids,Glycerolipids,Monoacylglycerols,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],3,3,5.5774383544921875 378,13939,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,ABPDEYSUVLXYCB-LTAFMQJZSA-N,"InChI=1S/C31H48O4/c1-19-16-30(34-24(19)32)17-20(2)31(35-30)15-12-26(5)22-9-8-21-25(3,4)23(33-7)10-11-28(21)18-29(22,28)14-13-27(26,31)6/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22+,23+,26-,27+,28-,29+,30+,31+/m1/s1",CO[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@]5(CC[C@]2(C)[C@@H]4CC[C@H]3C1(C)C)O[C@@]1(C[C@@H](C)C(=O)O1)C[C@@H]5C,C31H48O4,pos_1_1proton1ammonium,484.355260016,ABPDEYSUVLXYCB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,2,8.0 379,13933,-1,,,,0.0,MS1_match,JLJPBXMYIMNQDP-GHBHEEBMSA-N,"InChI=1S/C34H54O4/c1-21-11-15-27-31(5,6)29(37-23(3)35)17-19-33(27,9)25(21)13-14-26-22(2)12-16-28-32(7,8)30(38-24(4)36)18-20-34(26,28)10/h25-30H,1-2,11-20H2,3-10H3/t25-,26+,27-,28+,29-,30-,33+,34+/m0/s1",C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]12C,C34H54O4,pos_1_1proton1isopropanol,526.402210208,JLJPBXMYIMNQDP,Terpenoids,Triterpenoids,Onocerane triterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 380,13932,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5724454,ISDB,ABPDEYSUVLXYCB-LTAFMQJZSA-N,"InChI=1S/C31H48O4/c1-19-16-30(34-24(19)32)17-20(2)31(35-30)15-12-26(5)22-9-8-21-25(3,4)23(33-7)10-11-28(21)18-29(22,28)14-13-27(26,31)6/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22+,23+,26-,27+,28-,29+,30+,31+/m1/s1",CO[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@]5(CC[C@]2(C)[C@@H]4CC[C@H]3C1(C)C)O[C@@]1(C[C@@H](C)C(=O)O1)C[C@@H]5C,C31H48O4,,484.355260016,ABPDEYSUVLXYCB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,2,10.28978157043457 381,13931,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.36553064,ISDB,OBTMNFZFNXQANA-PSRVQCNGSA-N,"InChI=1S/C45H70O10/c1-12-25(3)37(50)54-35-36(55-38(51)26(4)13-2)45(24-52-39-34(49)33(48)29(23-46)53-39)21-20-43(10)27(28(45)22-40(35,5)6)14-15-31-42(9)18-17-32(47)41(7,8)30(42)16-19-44(31,43)11/h12-14,28-36,39,46-49H,15-24H2,1-11H3/b25-12+,26-13+/t28-,29+,30-,31+,32-,33-,34-,35-,36-,39-,42-,43+,44+,45-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C45H70O10,,770.49689844,OBTMNFZFNXQANA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,0,5.462122559547424 382,13930,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3190845,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,8.77633798122406 383,13930,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3190845,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,8.77633798122406 384,13930,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3190845,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,8.77633798122406 385,13929,547,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.4254518,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,1,7.201807141304016 386,13928,547,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.72834855,ISDB,YOLUHJBWUANMDW-XRMRDTNMSA-N,"InChI=1S/C16H22O2/c1-9-14-12-7-6-10-4-3-5-11(16(10,12)2)8-13(14)18-15(9)17/h10-13H,3-8H2,1-2H3/t10-,11-,12+,13+,16-/m1/s1",CC1=C2[C@H](C[C@H]3CCC[C@@H]4CC[C@@H]2[C@]43C)OC1=O,C16H22O2,,246.161979944,YOLUHJBWUANMDW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Goniophlebium niponicum,436745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Polypodiaceae'],['Unknown'],['Goniophlebium'],['Goniophlebium niponicum'],3,3,7.413394212722778 387,13927,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5138145,ISDB,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.05525803565979 388,13926,1929,Terpenoids,Triterpenoids,Serratane triterpenoids,0.5362395,ISDB,FDQQJDSRVSMJPR-LVMULPTPSA-N,"InChI=1S/C31H46O3/c1-19(32)34-26-13-15-29(6)24(28(26,4)5)12-16-30(7)25(29)10-9-22-21-17-27(2,3)14-11-20(21)23(33)18-31(22,30)8/h9,24-26H,10-18H2,1-8H3/t24-,25+,26-,29-,30+,31+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4C5=C(CCC(C)(C)C5)C(=O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H46O3,,466.344695332,FDQQJDSRVSMJPR,Terpenoids,Triterpenoids,Serratane triterpenoids,Marah macrocarpa,1066437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Marah'],['Marah macrocarpa'],3,3,6.644958019256592 389,13925,2177,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6585544,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],3,3,7.1342175006866455 390,13924,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45657304,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.326292157173157 391,13923,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42265892,ISDB,,,,,,,JFPSLJJGWCHYOE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6906356811523438 392,13921,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47616002,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.404640078544617 393,13920,-1,,,,0.40481687,ISDB,HMMVBUVVQLUGQA-WMQINEEOSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,28-,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,HMMVBUVVQLUGQA,Terpenoids,Steroids,Cholestane steroids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,8.619267463684082 394,13915,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5760046,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.804018497467041 395,13915,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5760046,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.804018497467041 396,13913,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37538314,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.001532554626465 397,13913,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37538314,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.001532554626465 398,13913,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37538314,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.001532554626465 399,13913,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37538314,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.001532554626465 400,13912,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.23207001,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],4,2,5.928280055522919 401,13911,-1,,,,0.0,MS1_match,UHEPJGULSIKKTP-UHFFFAOYSA-N,"InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",CC(=O)CCC=C(C)C,C8H14O,pos_1_minus1proton1magnesium,126.104465068,UHEPJGULSIKKTP,,,,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 402,13911,-1,,,,0.0,MS1_match,LVBXEMGDVWVTGY-VOTSOKGWSA-N,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",CCCCC/C=C/C=O,C8H14O,pos_1_minus1proton1magnesium,126.104465068,LVBXEMGDVWVTGY,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 403,13902,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45288008,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.311520338058472 404,13901,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5124926,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.549970388412476 405,13898,829,Shikimates and Phenylpropanoids,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.5209293,ISDB,FQRJPQZSBBWOMS-VIJSPRBVSA-N,"InChI=1S/C35H46O4/c1-20(2)25-15-12-22(5)18-27(25)30-33(37)31(28-19-23(6)13-16-26(28)21(3)4)35(39)32(34(30)38)29(36)17-14-24-10-8-7-9-11-24/h7-11,18-21,25-28,37-39H,12-17H2,1-6H3/t25-,26-,27+,28+/m1/s1",CC1=C[C@H](c2c(O)c(C(=O)CCc3ccccc3)c(O)c([C@H]3C=C(C)CC[C@@H]3C(C)C)c2O)[C@@H](C(C)C)CC1,C35H46O4,,530.339609952,FQRJPQZSBBWOMS,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],3,1,5.583717107772827 406,13898,829,Shikimates and Phenylpropanoids,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.5209293,ISDB,FQRJPQZSBBWOMS-YVHASNINSA-N,"InChI=1S/C35H46O4/c1-20(2)25-15-12-22(5)18-27(25)30-33(37)31(28-19-23(6)13-16-26(28)21(3)4)35(39)32(34(30)38)29(36)17-14-24-10-8-7-9-11-24/h7-11,18-21,25-28,37-39H,12-17H2,1-6H3/t25-,26-,27+,28+/m0/s1",CC1=C[C@@H](c2c(O)c(C(=O)CCc3ccccc3)c(O)c([C@@H]3C=C(C)CC[C@H]3C(C)C)c2O)[C@H](C(C)C)CC1,C35H46O4,,530.339609952,FQRJPQZSBBWOMS,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Mitrella kentii,856275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Mitrella'],['Mitrella kentii'],3,1,5.583717107772827 407,13896,-1,,,,0.8473781,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.389512300491333 408,13895,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.50593805,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.523752212524414 409,13895,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.50593805,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.523752212524414 410,13893,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5784558,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.813823223114014 411,13887,3619,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.3468821,ISDB,GQKFRHKBEFDUTG-MRZVKHCOSA-N,"InChI=1S/C39H74O12S/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(40)48-29-32(50-35(41)28-26-24-22-20-17-14-12-10-8-6-4-2)30-49-39-38(44)37(43)36(42)33(51-39)31-52(45,46)47/h32-33,36-39,42-44H,3-31H2,1-2H3,(H,45,46,47)/t32-,33-,36-,37+,38-,39+/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC,C39H74O12S,,766.4900988079999,GQKFRHKBEFDUTG,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lobophora halterata,689405.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Geometridae'],['Unknown'],['Lobophora'],['Lobophora halterata'],1,3,3.887528419494629 412,13887,3619,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.3468821,ISDB,GQKFRHKBEFDUTG-MRZVKHCOSA-N,"InChI=1S/C39H74O12S/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(40)48-29-32(50-35(41)28-26-24-22-20-17-14-12-10-8-6-4-2)30-49-39-38(44)37(43)36(42)33(51-39)31-52(45,46)47/h32-33,36-39,42-44H,3-31H2,1-2H3,(H,45,46,47)/t32-,33-,36-,37+,38-,39+/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC,C39H74O12S,,766.4900988079999,GQKFRHKBEFDUTG,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lobophora variegata,1040152.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora variegata'],1,3,3.887528419494629 413,13885,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.2369891,ISDB,NGYUWEODGOBJKH-BAKPKTSYSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h23,25,31-38,40,42-48H,3-22,24,26-30H2,1-2H3,(H,41,49)/b25-23+/t31-,32+,33+,34+,35-,36+,37-,38+,40+/m0/s1",CCCCCCCCCCC/C=C/C[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO10,,731.554747664,NGYUWEODGOBJKH,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Hippophae rhamnoides,623185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Unknown'],['Hippophae rhamnoides'],5,3,7.447956383228302 414,13884,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.39128947,ISDB,ZFHFRLPFRLZAPJ-IVOUXGOCSA-N,"InChI=1S/C51H82O15/c1-25-24-61-42(27(3)26(25)2)65-40-37(56)36(55)39(41(58)60-11)64-44(40)63-33-15-16-48(8)31(47(33,6)7)14-17-50(10)32(48)13-12-28-29-22-46(4,5)18-20-51(29,21-19-49(28,50)9)45(59)66-43-38(57)35(54)34(53)30(23-52)62-43/h12,25-27,29-40,42-44,52-57H,13-24H2,1-11H3/t25-,26+,27-,29+,30-,31+,32-,33+,34-,35+,36+,37+,38-,39+,40-,42+,43+,44-,48+,49-,50-,51+/m1/s1",COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2OC[C@@H](C)[C@H](C)[C@H]2C)[C@@H](O)[C@@H]1O,C51H82O15,,934.565371924,ZFHFRLPFRLZAPJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Panax stipuleanatus,160834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax stipuleanatus'],4,0,5.565157890319824 415,13883,-1,,,,0.0,MS1_match,AYBHLNMQTQBJBX-JBXRFKKKSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19-/t31-,32+,33+,34+,35-,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO10,pos_1_1sodium,731.554747664,AYBHLNMQTQBJBX,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Aralia elata,322272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia elata'],6,0,6.0 416,13882,226,Fatty acids,Sphingolipids,Ceramides,0.42346683,ISDB,,,,,,,HIMAOQJJMNAYIH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6938673257827759 417,13880,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.35826775,ISDB,MHHKIPCFWIQCPN-HHHXNRCGSA-N,"InChI=1S/C29H58N4O2/c1-5-17-28(34)19-12-10-8-6-7-9-11-18-27-26-29(35)30-20-15-23-31(2)21-13-14-22-32(3)24-16-25-33(27)4/h27H,5-26H2,1-4H3,(H,30,35)/t27-/m1/s1",CCCC(=O)CCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C,C29H58N4O2,,494.455977096,MHHKIPCFWIQCPN,Alkaloids,Ornithine alkaloids,Polyamines,Albizia amara,703120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia amara'],3,0,4.43307101726532 418,13879,959,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4835854,ISDB,,,,,,,LGOOJOBYSHNUMW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.934341549873352 419,13878,2403,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,BZNIIOGSANMIET-MZWAYPSQSA-N,"InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20-,21+,22-,23-,24?,27-,28+,29+,30+/m0/s1",CC1(C)CC[C@]23CC[C@]4(C)C(CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2C1OC3,C30H50O2,pos_1_1proton2acetonitrile,442.38108084,BZNIIOGSANMIET,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus rugosa,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,3,9.5 420,13878,2403,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_1proton2acetonitrile,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus rugosa,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,3,9.5 421,13878,2403,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_1proton2acetonitrile,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus rugosa,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,3,9.5 422,13877,-1,,,,0.53074116,ISDB,VHMQPAGFSQOURP-XSULHSBESA-N,"InChI=1S/C29H42O3/c1-18-7-9-25(3)11-13-27(5)21-8-10-29(17-30)19(2)24(32)20(31)16-23(29)26(21,4)12-14-28(27,6)22(25)15-18/h17,21-23,32H,1,7-16H2,2-6H3/t21-,22+,23-,25+,26+,27+,28-,29-/m0/s1",C=C1CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@]5(C=O)C(C)=C(O)C(=O)C[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C29H42O3,,438.313395204,VHMQPAGFSQOURP,Terpenoids,Triterpenoids,Friedelane triterpenoids,Salacia reticulata,5750051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia reticulata'],3,0,5.12296462059021 423,13875,226,Fatty acids,Sphingolipids,Ceramides,0.31689456,ISDB,KDJJIDJLVVZMJR-KUIYMZJFSA-N,"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC,C34H65NO4,,551.49135956,KDJJIDJLVVZMJR,Fatty acids,Sphingolipids,Ceramides,Hohenbuehelia serotina,417404.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Panellus'],['Sarcomyxa serotina'],1,3,3.7675782442092896 424,13875,226,Fatty acids,Sphingolipids,Ceramides,0.31689456,ISDB,KDJJIDJLVVZMJR-KUIYMZJFSA-N,"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC,C34H65NO4,,551.49135956,KDJJIDJLVVZMJR,Fatty acids,Sphingolipids,Ceramides,Panellus serotinus,417404.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Panellus'],['Sarcomyxa serotina'],1,3,3.7675782442092896 425,13873,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5515173,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.706069231033325 426,13873,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5515173,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.706069231033325 427,13873,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5515173,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.706069231033325 428,13873,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5515173,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.706069231033325 429,13873,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5515173,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.706069231033325 430,13870,517,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21922727,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.376909077167511 431,13869,902,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.50713366,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,10.528534650802612 432,13867,2246,Terpenoids,Triterpenoids,Lupane triterpenoids,0.3453995,ISDB,DQFLZIDDGJOZFU-UFICKDJBSA-N,"InChI=1S/C39H58O4/c1-34(2)29-18-22-39(8)30(15-14-28-33-27(35(3,4)42)17-20-36(33,5)23-24-38(28,39)7)37(29,6)21-19-31(34)43-32(41)16-11-25-9-12-26(40)13-10-25/h9-13,16,27-31,33,40,42H,14-15,17-24H2,1-8H3/b16-11+/t27-,28-,29+,30-,31+,33-,36-,37+,38-,39-/m1/s1",CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H58O4,,590.433510336,DQFLZIDDGJOZFU,Terpenoids,Triterpenoids,Lupane triterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,5.881597995758057 433,13865,-1,,,,0.0,MS1_match,UJKRXDRUBVRCPX-PPNWLSRHSA-N,"InChI=1S/C30H48O3/c1-19(2)10-9-14-30(8,32)22-12-16-28(6)23(22)18-24-26-27(5,15-13-25(31)33-24)21(20(3)4)11-17-29(26,28)7/h10,21-24,26,32H,3,9,11-18H2,1-2,4-8H3/t21-,22+,23-,24-,26-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,UJKRXDRUBVRCPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],6,0,6.0 434,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 435,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,0,6.0 436,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-KFAPCCSXSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22-,23+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula papyrifera,267725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula papyrifera'],6,0,6.0 437,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 438,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,0,6.0 439,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula utilis,922610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula utilis'],6,0,6.0 440,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 441,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 442,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],6,0,6.0 443,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,0,6.0 444,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],6,0,6.0 445,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 446,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,0,6.0 447,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-KFAPCCSXSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22-,23+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula papyrifera,267725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula papyrifera'],6,0,6.0 448,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 449,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,0,6.0 450,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula utilis,922610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula utilis'],6,0,6.0 451,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],6,0,6.0 452,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,0,6.0 453,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],6,0,6.0 454,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 455,13865,-1,,,,0.0,MS1_match,UJKRXDRUBVRCPX-PPNWLSRHSA-N,"InChI=1S/C30H48O3/c1-19(2)10-9-14-30(8,32)22-12-16-28(6)23(22)18-24-26-27(5,15-13-25(31)33-24)21(20(3)4)11-17-29(26,28)7/h10,21-24,26,32H,3,9,11-18H2,1-2,4-8H3/t21-,22+,23-,24-,26-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,UJKRXDRUBVRCPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],6,0,6.0 456,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 457,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 458,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,0,6.0 459,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,6.0 460,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,6.0 461,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,0,6.0 462,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,0,6.0 463,13865,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,0,6.0 464,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-NMOPRTRMSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22-,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula papyrifera,267725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula papyrifera'],6,0,6.0 465,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 466,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,0,6.0 467,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,6.0 468,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,6.0 469,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,0,6.0 470,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,0,6.0 471,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-NMOPRTRMSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22-,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula papyrifera,267725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula papyrifera'],6,0,6.0 472,13865,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 473,13865,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 474,13865,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1acetonitrile,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,0,6.0 475,13863,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.28225744,ISDB,HBKXVTVONMOYGD-ZRWNKCLUSA-N,"InChI=1S/C45H68O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-36-39-42-45(47)43-40-37-34-31-30-32-35-38-41-44(46)4-2/h1-2,5-6,20-21,26-27,35,38,44-47H,7-19,22-25,28-34,36-37,41H2/b6-5-,21-20-,27-26-,38-35-/t44-,45-/m1/s1",C#C/C=C\CCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCC/C=C\C[C@H](O)C#C,C45H68O2,,640.521931416,HBKXVTVONMOYGD,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Petrosia,389379.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Petrosia'],['Unknown'],1,3,3.6290297508239746 476,13859,936,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6618956,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.147582292556763 477,13853,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.26809272,ISDB,,,,,,,ZJTSOHVFOHPWJC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0723708868026733 478,13851,1547,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,MGIQTXDHQJGPEZ-WUXMJOGZSA-N,"InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+",C=C1CC/C=C(/CO)CCC2C1CC2(C)C,C15H24O,pos_2MH,220.182715388,MGIQTXDHQJGPEZ,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 479,13851,1547,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_2MH,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 480,13851,1547,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,NONDJOZVZVTVHD-POHAHGRESA-N,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h6,12-14,16H,2,5,7-9H2,1,3-4H3/b10-6-",C=C1CCC2C(CC2(C)C)/C(C)=C\CC1O,C15H24O,pos_2MH,220.182715388,NONDJOZVZVTVHD,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 481,13851,1547,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,CIIYOYPOMGIECX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3",C=C1CCC2C(CC2(C)C)C(=C)CCC1O,C15H24O,pos_2MH,220.182715388,CIIYOYPOMGIECX,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 482,13850,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24477017,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Corymbia citriodora,409369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Corymbia'],['Corymbia citriodora'],4,0,4.979080677032471 483,13850,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24477017,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],4,0,4.979080677032471 484,13850,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24477017,ISDB,JCNOHQSTTZAMOE-UHFFFAOYSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)CCC4(C)C3CCC12C)C(C)C,C43H68O10,,744.481248376,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Picramnia antidesma,376693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Picramniales'],['Picramniaceae'],['Unknown'],['Picramnia'],['Picramnia antidesma'],4,0,4.979080677032471 485,13850,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24477017,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Dorstenia mannii,923990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Dorstenia'],['Dorstenia mannii'],4,0,4.979080677032471 486,13850,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24477017,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Iryanthera lancifolia,111996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Iryanthera'],['Iryanthera lancifolia'],4,0,4.979080677032471 487,13850,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24477017,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Eucalyptus globulus,847929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus globulus'],4,0,4.979080677032471 488,13850,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24477017,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Polyalthia longifolia,204189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Monoon'],['Monoon longifolium'],4,0,4.979080677032471 489,13850,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24477017,ISDB,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Gymnosporia diversifolia,420497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia diversifolia'],4,0,4.979080677032471 490,13843,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5014866,ISDB,BYQLYGRDILHOFF-LNKGRISISA-N,"InChI=1S/C20H30O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h6,12,15-16,23H,5,7-11H2,1-4H3,(H,21,22)/t15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O3,,318.21949482,BYQLYGRDILHOFF,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.505946397781372 491,13842,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6279761,ISDB,DYNISIGUMYFVJW-OCBLOMHFSA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,9.01190447807312 492,13842,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6279761,ISDB,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,9.01190447807312 493,13838,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.555499,ISDB,BBIYNCKQNWYEAZ-NDEBMAAUSA-N,"InChI=1S/C40H60O4/c1-25(2)11-10-12-28-16-19-38(8,35(43)44)31(24-28)32(41)23-27(4)39(9)21-15-26(3)40(39)22-17-29-30(40)13-14-33-36(5,6)34(42)18-20-37(29,33)7/h11,16,27,31,33-34,42H,3,10,12-15,17-24H2,1-2,4-9H3,(H,43,44)/t27-,31-,33+,34+,37-,38+,39+,40+/m1/s1",C=C1CC[C@@](C)([C@H](C)CC(=O)[C@H]2CC(CCC=C(C)C)=CC[C@]2(C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C,C40H60O4,,604.4491603999999,BBIYNCKQNWYEAZ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,8.721996068954468 494,13837,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47287914,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.39151656627655 495,13836,203,,,,0.4401857,ISDB,,,,,,,DXCGBYCPMYNZGA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7607427835464478 496,13833,1534,Fatty acids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,HGKRVDDOQIUQDS-RRCSTGOVSA-N,"InChI=1S/C16H30O2/c1-14(2,17)12-7-10-15(3)8-6-9-16(4,18-5)13(15)11-12/h12-13,17H,6-11H2,1-5H3/t12-,13-,15-,16-/m1/s1",CO[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21,C16H30O2,pos_2MH,254.2245802,HGKRVDDOQIUQDS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,7.5 497,13830,1534,Fatty acids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.42116266,ISDB,,,,,,,AEIONZPJIHVANG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6846506595611572 498,13828,-1,,,,0.47942472,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,6.917698860168457 499,13828,-1,,,,0.47942472,ISDB,SOJWLJKPIIODOH-OTWHNJEPSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18+,19-/m0/s1",CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,0,6.917698860168457 500,13828,-1,,,,0.47942472,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.917698860168457 501,13828,-1,,,,0.47942472,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],5,0,6.917698860168457 502,13825,277,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.21340902,ISDB,PNIQIVJSZQAUEU-WVTHHNSMSA-N,"InChI=1S/C33H52O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h13,16,21,23,25,28-29H,3,11-12,14-15,17-20H2,1-2,4-10H3/t23-,25-,28+,29+,31-,32-,33+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C,C33H52O2,,480.396730904,PNIQIVJSZQAUEU,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],4,3,6.353636085987091 503,13825,277,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.21340902,ISDB,PNIQIVJSZQAUEU-WVTHHNSMSA-N,"InChI=1S/C33H52O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h13,16,21,23,25,28-29H,3,11-12,14-15,17-20H2,1-2,4-10H3/t23-,25-,28+,29+,31-,32-,33+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C,C33H52O2,,480.396730904,PNIQIVJSZQAUEU,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],4,3,6.353636085987091 504,13824,1253,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.79002905,ISDB,AKQUYKYHJPCGHJ-UHFFFAOYSA-N,"InChI=1S/C38H60N6O6/c1-9-25(8)32-37(49)41-28(19-23(4)5)34(46)42-30(21-26-14-11-10-12-15-26)38(50)44-17-13-16-31(44)36(48)40-27(18-22(2)3)33(45)39-29(20-24(6)7)35(47)43-32/h10-12,14-15,22-25,27-32H,9,13,16-21H2,1-8H3,(H,39,45)(H,40,48)(H,41,49)(H,42,46)(H,43,47)",CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC1=O,C38H60N6O6,,696.45743364,AKQUYKYHJPCGHJ,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,3,4.660116195678711 505,13824,1253,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.79002905,ISDB,AKQUYKYHJPCGHJ-CMKNBVMOSA-N,"InChI=1S/C38H60N6O6/c1-9-25(8)32-37(49)41-28(19-23(4)5)34(46)42-30(21-26-14-11-10-12-15-26)38(50)44-17-13-16-31(44)36(48)40-27(18-22(2)3)33(45)39-29(20-24(6)7)35(47)43-32/h10-12,14-15,22-25,27-32H,9,13,16-21H2,1-8H3,(H,39,45)(H,40,48)(H,41,49)(H,42,46)(H,43,47)/t25-,27-,28-,29+,30+,31-,32-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O,C38H60N6O6,,696.45743364,AKQUYKYHJPCGHJ,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,4.660116195678711 506,13822,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.2830768,ISDB,,,,,,,ZJTSOHVFOHPWJC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1323071718215942 507,13820,774,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.36578363,ISDB,OXJDWSLZGBHGCI-BRCQXSCKSA-N,"InChI=1S/C39H64O11/c1-18-9-12-37(6)26(18)21(41)16-39(8)32(37)20(40)15-24-36(5)13-11-25(35(3,4)23(36)10-14-38(24,39)7)49-34-31(28(44)22(42)17-47-34)50-33-30(46)29(45)27(43)19(2)48-33/h19-34,40-46H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24-,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,36+,37-,38+,39+/m1/s1",C=C1CC[C@]2(C)[C@H]1[C@H](O)C[C@@]1(C)[C@@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O[C@H]4OC[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]21C,C39H64O11,,708.444862868,OXJDWSLZGBHGCI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,3,6.963134527206421 508,13819,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47379556,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.395182251930237 509,13819,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47379556,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.395182251930237 510,13819,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47379556,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.395182251930237 511,13819,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47379556,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.395182251930237 512,13817,-1,,,,0.7305719,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,10.922287702560425 513,13816,1425,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,0.7700783,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.580313205718994 514,13814,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7392721,ISDB,VNEORENRGFLDMN-DSJDWBEOSA-N,"InChI=1S/C20H28O3/c1-11(2)12-10-20-14(9-13(12)21)19(5)8-6-7-18(3,4)16(19)15(22)17(20)23-20/h9-11,15-17,22H,6-8H2,1-5H3/t15-,16+,17-,19-,20+/m1/s1",CC(C)C1=C[C@@]23O[C@@H]2[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=CC1=O,C20H28O3,,316.203844756,VNEORENRGFLDMN,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.457088470458984 515,13812,-1,,,,0.22432686,ISDB,NHLIJINFAYDYIR-BVRFZQLASA-N,"InChI=1S/C41H60O5/c1-26-11-15-30-36(2,18-8-21-39(30,5)35(45)46-6)29(26)14-12-27-10-7-22-40(24-27)28-13-16-32-37(3)19-9-20-38(4,34(43)44)31(37)17-23-41(32,25-28)33(40)42/h10,28-32H,1,7-9,11-25H2,2-6H3,(H,43,44)/t28-,29-,30+,31+,32+,36+,37-,38-,39+,40+,41-/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)OC)[C@@H]1CCC1=CCC[C@@]2(C1)C(=O)[C@@]13CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]1CC[C@@H]2C3,C41H60O5,,632.44407502,NHLIJINFAYDYIR,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Xylopia amazonica,3868044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia amazonica'],3,0,3.8973074555397034 516,13811,363,Fatty acids,Fatty amides,Primary amides,0.582376,ISDB,,,,,,,YXFATHGAXZLRHI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3295040130615234 517,13808,-1,,,,0.8133706,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.253482341766357 518,13800,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,BSAIUMLZVGUGKX-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3",CCCCCCC=CC=O,C9H16O,pos_1_minus1proton1magnesium,140.120115132,BSAIUMLZVGUGKX,Fatty acids,Fatty acyls,Fatty aldehydes,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,3,7.5 519,13800,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,BSAIUMLZVGUGKX-BQYQJAHWSA-N,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+",CCCCCC/C=C/C=O,C9H16O,pos_1_minus1proton1magnesium,140.120115132,BSAIUMLZVGUGKX,Fatty acids,Fatty acyls,Fatty aldehydes,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,3,7.5 520,13800,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,YGFGZTXGYTUXBA-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3",CC(C)=CCCC(C)C=O,C9H16O,pos_1_minus1proton1magnesium,140.120115132,YGFGZTXGYTUXBA,Fatty acids,Fatty acyls,Fatty aldehydes,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,3,7.5 521,13799,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6413118,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5652472972869873 522,13795,-1,,,,0.44409925,ISDB,SCWWWSLXRFKZTI-KQCGELTFSA-N,"InChI=1S/C41H64O6/c1-28-13-15-30-34(2,3)17-11-19-38(30,8)40(28)23-21-37(7,46-40)26-33(43)45-27-29-14-16-31-35(4,5)18-12-20-39(31,9)41(29)24-22-36(6,47-41)25-32(42)44-10/h13-14,30-31H,11-12,15-27H2,1-10H3/t30-,31+,36-,37-,38-,39+,40+,41-/m1/s1",COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(COC(=O)C[C@@]1(C)CC[C@]3(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@]13C)=CC[C@H]1C(C)(C)CCC[C@@]12C,C41H64O6,,652.470289768,SCWWWSLXRFKZTI,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Grindelia squarrosa,912596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia squarrosa'],4,0,5.776396989822388 523,13794,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.48680827,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,5.947233080863953 524,13794,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.48680827,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,0,5.947233080863953 525,13794,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.48680827,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,0,5.947233080863953 526,13792,1535,Terpenoids,,,0.0,MS1_match,ZQGOYEJYAYJFTL-BTMCAZCFSA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,59H,1,13-24,26H2,2-11H3/b34-25+,42-27?,43-27?,44-28?,45-29?,46-28?,47-29?,52-50?/t32-,33-,36+,40+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H72N4O6,pos_1_1sodium,884.545186024,ZQGOYEJYAYJFTL,Terpenoids,,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,1,6.5 527,13788,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35587367,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.9234946966171265 528,13788,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35587367,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.9234946966171265 529,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus libani,608496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus libani'],5,3,8.752150297164917 530,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.752150297164917 531,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix gmelinii var. olgensis,70975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.752150297164917 532,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],5,3,8.752150297164917 533,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],5,3,8.752150297164917 534,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.752150297164917 535,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.752150297164917 536,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,3,8.752150297164917 537,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.752150297164917 538,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.752150297164917 539,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.752150297164917 540,13787,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5630376,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.752150297164917 541,13786,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5630276,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.752110481262207 542,13783,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3214853,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.785941243171692 543,13783,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3214853,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.785941243171692 544,13782,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40367198,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.1146879196167 545,13776,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5949283,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.879713296890259 546,13776,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5949283,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.879713296890259 547,13774,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.25427812,ISDB,JLWKDQDMKPFKLQ-UHFFFAOYSA-N,"InChI=1S/C33H59NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(36)34-30-29-31-25-27-32(35)28-26-31/h25-28,35H,2-24,29-30H2,1H3,(H,34,36)",CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1,C33H59NO2,,501.454580128,JLWKDQDMKPFKLQ,Fatty acids,Fatty amides,N-acyl amines,Senecio garnieri,6059327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio garnieri'],3,0,4.017112493515015 548,13774,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.25427812,ISDB,JLWKDQDMKPFKLQ-UHFFFAOYSA-N,"InChI=1S/C33H59NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(36)34-30-29-31-25-27-32(35)28-26-31/h25-28,35H,2-24,29-30H2,1H3,(H,34,36)",CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1,C33H59NO2,,501.454580128,JLWKDQDMKPFKLQ,Fatty acids,Fatty amides,N-acyl amines,Senecio erechthitoides,6056898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio erechthitoides'],3,0,4.017112493515015 549,13773,-1,,,,0.5879869,ISDB,YBMMGZNGDURMBM-VXLSRJMWSA-N,"InChI=1S/C29H42O2/c1-25(2)17-19-18(16-24(25)31)10-14-28(6)20(19)8-9-22-27(5)13-12-23(30)26(3,4)21(27)11-15-29(22,28)7/h8-9,16,21-23,30H,10-15,17H2,1-7H3/t21-,22+,23+,27-,28+,29+/m0/s1",CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CCC2=CC1=O,C29H42O2,,422.31848058399993,YBMMGZNGDURMBM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],3,0,5.351947546005249 550,13771,-1,,,,0.0,MS1_match,HNDVDQJCIGZPNO-YFKPBYRVSA-N,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",N[C@@H](Cc1cnc[nH]1)C(=O)O,C6H9N3O2,pos_2_2proton3acetonitrile,155.069476528,HNDVDQJCIGZPNO,Amino acids and Peptides,Small peptides,Aminoacids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 551,13768,-1,,,,0.6130046,ISDB,GURROCUXXQHGSP-UHFFFAOYSA-N,"InChI=1S/C28H34O2/c1-6-9-19-12-14-24(29)21(17-19)22-18-20(10-7-2)13-15-25(22)30-26-23-11-8-16-28(26,5)27(23,3)4/h6-7,12-15,17-18,23,26,29H,1-2,8-11,16H2,3-5H3",C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC2C3CCCC2(C)C3(C)C)c1,C28H34O2,,402.255880328,GURROCUXXQHGSP,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],3,0,5.45201849937439 552,13767,-1,,,,0.3319078,ISDB,WFVNZHRELNLEFI-ZMEWJFTKSA-N,"InChI=1S/C40H66N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30,33-37,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,33-,34+,35-,36+,37-,40-/m0/s1",C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)C(C)=O)O3)CC[C@@H]2C)O1,C40H66N2O8,,702.481917072,WFVNZHRELNLEFI,Polyketides,Linear polyketides,Open-chain polyketides,Lissoclinum bistratum,331871.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Didemnidae'],['Unknown'],['Lissoclinum'],['Lissoclinum bistratum'],1,0,2.3276312351226807 553,13765,680,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 554,13765,680,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,3,7.5 555,13764,517,Terpenoids,Diterpenoids,Labdane diterpenoids,0.23043348,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.421733915805817 556,13763,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5536961,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.714784383773804 557,13760,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton1isopropanol,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,3,8.5 558,13759,164,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77288175,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.591526985168457 559,13756,1710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4794097,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.417638778686523 560,13754,-1,,,,0.58288467,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,9.331538677215576 561,13753,2560,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,0.5178008,ISDB,FHEJLVSXCHPHAN-FPLPWBNLSA-N,"InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(28)21(26)18(2)22(27)24(20)29-19(3)25/h7-8,26H,4-6,9-17H2,1-3H3/b8-7-",CCCC/C=C\CCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(O)C1=O,C24H36O5,,404.256274252,FHEJLVSXCHPHAN,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],3,3,6.571203231811523 562,13749,2182,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.27613336,ISDB,RRMUKDNDCZQSOQ-UHFFFAOYSA-N,"InChI=1S/C24H48O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(25)21(28)19(26)16-31-24-23(30)22(29)20(27)17(2)32-24/h17-30H,3-16H2,1-2H3",CCCCCCCCCCCCCCC(O)C(O)C(O)COC1OC(C)C(O)C(O)C1O,C24H48O8,,464.334918496,RRMUKDNDCZQSOQ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Commiphora opobalsamum,3942314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora gileadensis'],3,1,4.604533433914185 563,13749,2182,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.27613336,ISDB,RRMUKDNDCZQSOQ-QXUFRZHESA-N,"InChI=1S/C24H48O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(25)21(28)19(26)16-31-24-23(30)22(29)20(27)17(2)32-24/h17-30H,3-16H2,1-2H3/t17-,18+,19-,20-,21-,22+,23+,24+/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C24H48O8,,464.33491849599983,RRMUKDNDCZQSOQ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Commiphora gileadensis,3942314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora gileadensis'],3,1,4.604533433914185 564,13747,-1,,,,0.29172707,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,4.166908264160156 565,13746,1280,Terpenoids,Diterpenoids,Abietane diterpenoids,0.21648669,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,9.365946769714355 566,13744,-1,,,,0.49942943,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,0,6.99771773815155 567,13744,-1,,,,0.49942943,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,0,6.99771773815155 568,13743,423,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_1proton1isopropanol,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,2,7.0 569,13743,423,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_1proton1isopropanol,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,2,7.0 570,13742,423,Terpenoids,Steroids,Stigmastane steroids,0.33425373,ISDB,SENGWVUFOJLNFP-VYTCEXIHSA-N,"InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20-,21+,22-,23-,24+,25-,26+,27+,28-,29-/m0/s1",CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H52O5,,480.3814747639999,SENGWVUFOJLNFP,Terpenoids,Steroids,Stigmastane steroids,Haloxylon recurvum,6037978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Haloxylon'],['Haloxylon recurvum'],4,3,6.83701491355896 571,13741,227,Fatty acids,Diterpenoids,Fatty alcohols,0.3623218,ISDB,FHSVMYDBGPVTTJ-UHFFFAOYSA-N,"InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3",CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,C27H48O3,,420.360345396,FHSVMYDBGPVTTJ,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,5.449287176132202 572,13740,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6703777,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.18151068687439 573,13740,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6703777,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.18151068687439 574,13740,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6703777,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.18151068687439 575,13740,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6703777,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.18151068687439 576,13740,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6703777,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.18151068687439 577,13736,1710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5025455,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.510181903839111 578,13735,-1,,,,0.41704947,ISDB,WTFVTPDZPCKVCO-FPSIIMKOSA-N,"InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1",C/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,C24H38N4O4,,446.289305696,WTFVTPDZPCKVCO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Aspergillus sclerotiorum,932281.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus sclerotiorum'],1,0,2.6681978702545166 579,13734,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,DERQASKITCRCGR-OAQYLSRUSA-N,"InChI=1S/C22H36O5/c1-18(24)27-21(15-19-14-20(25)17-22(16-19)26-2)12-10-8-6-4-3-5-7-9-11-13-23/h14,16-17,21,23,25H,3-13,15H2,1-2H3/t21-/m1/s1",COc1cc(O)cc(C[C@@H](CCCCCCCCCCCO)OC(C)=O)c1,C22H36O5,pos_2MNa,380.256274252,DERQASKITCRCGR,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Ononis viscosa,497912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis viscosa'],6,0,6.0 580,13734,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,ZRBHQPSMRLKWPU-PZJWPPBQSA-N,"InChI=1S/C22H36O5/c1-4-5-7-10-19(24)11-8-6-9-12-21(27-17(2)23)14-18-13-20(25)16-22(15-18)26-3/h13,15-16,19,21,24-25H,4-12,14H2,1-3H3/t19-,21+/m0/s1",CCCCC[C@H](O)CCCCC[C@H](Cc1cc(O)cc(OC)c1)OC(C)=O,C22H36O5,pos_2MNa,380.256274252,ZRBHQPSMRLKWPU,,,,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],6,0,6.0 581,13733,533,Terpenoids,Polyprenols,Bactoprenols,0.5332107,ISDB,,,,,,,DDQWRQLNMLLDHY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.132842779159546 582,13732,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.704488,ISDB,,,,,,,NZDQNZBKRPBQEQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8179519176483154 583,13731,277,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5084945,ISDB,,,,,,,OTGBUAJCIKYSDL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.03397798538208 584,13730,902,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.505082,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,10.520328044891357 585,13727,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,ZQGOYEJYAYJFTL-BTMCAZCFSA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,59H,1,13-24,26H2,2-11H3/b34-25+,42-27?,43-27?,44-28?,45-29?,46-28?,47-29?,52-50?/t32-,33-,36+,40+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H72N4O6,pos_1_1proton,884.545186024,ZQGOYEJYAYJFTL,Terpenoids,,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,1,6.5 586,13725,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6512607,ISDB,HTFXGXDOSNTRNI-QMNMOEQPSA-N,"InChI=1S/C38H62O10/c1-20(17-39)9-8-10-21(2)28-24(43)16-36(7)26-15-23(42)32-34(4,5)27(11-12-38(32)19-37(26,38)14-13-35(28,36)6)48-33-31(46-22(3)41)30(45)29(44)25(18-40)47-33/h9,21,23-33,39-40,42-45H,8,10-19H2,1-7H3/b20-9+/t21-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33+,35-,36+,37+,38-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)CO)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O)[C@H]4C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O,C38H62O10,,678.434298184,HTFXGXDOSNTRNI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus kahiricus,886341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus kahiricus'],4,2,7.6050426959991455 587,13723,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.51541275,ISDB,BBIYNCKQNWYEAZ-NDEBMAAUSA-N,"InChI=1S/C40H60O4/c1-25(2)11-10-12-28-16-19-38(8,35(43)44)31(24-28)32(41)23-27(4)39(9)21-15-26(3)40(39)22-17-29-30(40)13-14-33-36(5,6)34(42)18-20-37(29,33)7/h11,16,27,31,33-34,42H,3,10,12-15,17-24H2,1-2,4-9H3,(H,43,44)/t27-,31-,33+,34+,37-,38+,39+,40+/m1/s1",C=C1CC[C@@](C)([C@H](C)CC(=O)[C@H]2CC(CCC=C(C)C)=CC[C@]2(C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C,C40H60O4,,604.4491603999999,BBIYNCKQNWYEAZ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,8.56165099143982 588,13722,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.55972236,ISDB,XEYWZJNHBIZTAF-UHFFFAOYSA-N,"InChI=1S/C40H58O3/c1-9-34(3)19-21-36(5)27(25-34)14-17-39(8)30(36)11-12-32(42)40(39)18-15-28-33(43-40)29(41)23-31-37(6)22-20-35(4,10-2)24-26(37)13-16-38(28,31)7/h9-10,26-27,30-31H,1-2,11-25H2,3-8H3",C=CC1(C)CCC2(C)C(CCC3(C)C4=C(OC5(CC4)C(=O)CCC4C6(C)CCC(C)(C=C)CC6CCC45C)C(=O)CC32)C1,C40H58O3,,586.438595716,XEYWZJNHBIZTAF,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Ceriops tagal,163833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Ceriops'],['Ceriops tagal'],3,1,5.738889455795288 589,13719,94,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.25372022,ISDB,QEYHXRJGVIQFQH-HAFAFMHKSA-N,"InChI=1S/C33H50O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,25,27-28,30,32,34H,3-5,7,9-24,26H2,(H,35,36)/b27-25?,30-28+/t32-/m0/s1",C#C[C@H](O)/C=C/CCCCCCCCCC#CCCCCCCCCCCCCC=CC#CC(=O)O,C33H50O3,,494.37599546,QEYHXRJGVIQFQH,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Petrosia,389379.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Petrosia'],['Unknown'],1,3,3.514880895614624 590,13717,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-UWTATZPHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",O=C(O)[C@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 591,13715,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 592,13715,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1sodium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],6,0,6.0 593,13712,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.676107,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.20442795753479 594,13712,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.676107,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.20442795753479 595,13708,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.27296576,ISDB,UORRAKMCELTARB-SQKRHONHSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.4812483759998,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,3,3.5918630361557007 596,13708,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.27296576,ISDB,UORRAKMCELTARB-CVELTQQQSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1",CCC=CCC=CCC=CCC=CCC=CCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phaeodactylum tricornutum,529438.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Phaeodactylum'],['Phaeodactylum tricornutum'],1,3,3.5918630361557007 597,13708,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.27296576,ISDB,UORRAKMCELTARB-DXIJFMLOSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],1,3,3.5918630361557007 598,13708,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.27296576,ISDB,UORRAKMCELTARB-ZAXHEUPSSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Amphidinium,746952.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Unknown'],['Unknown'],['Unknown'],['Amphidinium'],['Unknown'],1,3,3.5918630361557007 599,13706,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.59513265,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.880530595779419 600,13703,556,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41232738,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.149309515953064 601,13701,-1,,,,0.5870445,ISDB,,,,,,,ILMYXIBUNFEXHP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.348177909851074 602,13700,1253,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.75983495,ISDB,QVOWLQGIVUTHGK-ZAFXZDQFSA-N,"InChI=1S/C37H58N6O6/c1-21(2)17-26-32(44)38-28(19-23(5)6)34(46)42-31(24(7)8)36(48)40-27(18-22(3)4)33(45)41-29(20-25-13-10-9-11-14-25)37(49)43-16-12-15-30(43)35(47)39-26/h9-11,13-14,21-24,26-31H,12,15-20H2,1-8H3,(H,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t26-,27-,28+,29+,30-,31-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O,C37H58N6O6,,682.441783576,QVOWLQGIVUTHGK,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,4.539339780807495 603,13699,62,Terpenoids,Triterpenoids,Lipopeptides,0.23354766,ISDB,,,,,,,QAZWJOOGKLJESZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9341906309127808 604,13693,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47858816,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.414352655410767 605,13693,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47858816,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.414352655410767 606,13687,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.3530814,ISDB,,,,,,,MKHRCQQTSCNNOR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4123256206512451 607,13685,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.52978504,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],3,0,5.119140148162842 608,13684,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.391637,ISDB,HFWSHEGCAPRVLI-BJLLYVFTSA-N,"InChI=1S/C21H34O3/c1-7-18(2)13-9-16-19(3)11-8-12-20(4,17(22)23-6)15(19)10-14-21(16,5)24-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16-,18+,19+,20+,21-/m1/s1",C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@](C)(C(=O)OC)[C@@H]3CC[C@@]2(C)O1,C21H34O3,,334.250794948,HFWSHEGCAPRVLI,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.066547989845276 609,13682,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,DLKBIWZQBIBLDR-DULJUPHJSA-N,"InChI=1S/C23H38O4/c1-16(14-21(25)26-6)8-10-19-17(2)9-11-20-22(4,15-27-18(3)24)12-7-13-23(19,20)5/h16,19-20H,2,7-15H2,1,3-6H3/t16-,19+,20+,22+,23-/m1/s1",C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)OC,C23H38O4,pos_2MK,378.277009696,DLKBIWZQBIBLDR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],7,0,7.0 610,13681,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.2486061,ISDB,,,,,,,XDRCAAHFKMXOBD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9944244027137756 611,13680,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.23104586,ISDB,DINLGKBBYJNJHA-PWMHDYCUSA-N,"InChI=1S/C40H74O15/c1-5-7-9-15-29(43)19-30(44)24-38(50)55-36(18-12-14-28(4)42)22-33(47)26-39(51)53-34(16-10-8-6-2)21-32(46)25-40(52)54-35(17-11-13-27(3)41)20-31(45)23-37(48)49/h27-36,41-47H,5-26H2,1-4H3,(H,48,49)/t27?,28?,29-,30+,31+,32+,33+,34+,35+,36+/m0/s1",CCCCC[C@H](O)C[C@@H](O)CC(=O)O[C@H](CCCC(C)O)C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O[C@H](CCCC(C)O)C[C@@H](O)CC(=O)O,C40H74O15,,794.502771668,DINLGKBBYJNJHA,Polyketides,Linear polyketides,Open-chain polyketides,Acremonium,563116.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Bionectriaceae'],['Unknown'],['Acremonium'],['Unknown'],1,0,1.924183428287506 612,13677,1535,Terpenoids,,,0.0,MS1_match,ZQGOYEJYAYJFTL-BTMCAZCFSA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,59H,1,13-24,26H2,2-11H3/b34-25+,42-27?,43-27?,44-28?,45-29?,46-28?,47-29?,52-50?/t32-,33-,36+,40+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H72N4O6,pos_1_1sodium,884.545186024,ZQGOYEJYAYJFTL,Terpenoids,,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,1,6.5 613,13671,2180,Terpenoids,Diterpenoids,Abietane diterpenoids,0.272349,ISDB,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,9.589395999908447 614,13670,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6988378,ISDB,VNEORENRGFLDMN-DSJDWBEOSA-N,"InChI=1S/C20H28O3/c1-11(2)12-10-20-14(9-13(12)21)19(5)8-6-7-18(3,4)16(19)15(22)17(20)23-20/h9-11,15-17,22H,6-8H2,1-5H3/t15-,16+,17-,19-,20+/m1/s1",CC(C)C1=C[C@@]23O[C@@H]2[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=CC1=O,C20H28O3,,316.203844756,VNEORENRGFLDMN,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.295351266860962 615,13668,-1,,,,0.0,MS1_match,CCPPLLJZDQAOHD-BEBBCNLGSA-N,"InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1",CCCCC[C@@H]1O[C@@H]1C/C=C\CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,CCPPLLJZDQAOHD,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Mucuna pruriens,569266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Mucuna'],['Mucuna pruriens'],6,0,6.0 616,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 617,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UKMVMLAPSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14?,27-25+,28-26?,31-17+,32-18?,33-21+,34-22?",CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Astragalus falcatus,868704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus falcatus'],6,0,6.0 618,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-BVZAMQQESA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+",CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Acacia decurrens,46053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia decurrens'],6,0,6.0 619,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UKMVMLAPSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14?,27-25+,28-26?,31-17+,32-18?,33-21+,34-22?",CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Acacia acuminata,62970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia acuminata'],6,0,6.0 620,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 621,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],6,0,6.0 622,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Lupinus mutabilis,324961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus mutabilis'],6,0,6.0 623,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Lupinus luteus,1086811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus luteus'],6,0,6.0 624,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Lupinus albus,1030424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus albus'],6,0,6.0 625,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 626,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Senegalia gaumeri,146613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia gaumeri'],6,0,6.0 627,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Ulex gallii,797089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex gallii'],6,0,6.0 628,13668,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Alhagi maurorum,809997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi maurorum'],6,0,6.0 629,13668,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Alhagi persarum,50446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi persarum'],6,0,6.0 630,13668,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 631,13668,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 632,13668,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],6,0,6.0 633,13668,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=CCCC(C)(C)C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Trifolium semipilosum,592389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium semipilosum'],6,0,6.0 634,13668,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Acacia decurrens,46053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia decurrens'],6,0,6.0 635,13668,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 636,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Ulex europaeus,1056067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex europaeus'],6,0,6.0 637,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago rupestris,3928644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago rupestris'],6,0,6.0 638,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago suffruticosa,292226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago suffruticosa'],6,0,6.0 639,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago papillosa,1001769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago papillosa'],6,0,6.0 640,13668,-1,,,,0.0,MS1_match,CCPPLLJZDQAOHD-BEBBCNLGSA-N,"InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1",CCCCC[C@@H]1O[C@@H]1C/C=C\CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,CCPPLLJZDQAOHD,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Pithecellobium dulce,231731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Pithecellobium'],['Pithecellobium dulce'],6,0,6.0 641,13668,-1,,,,0.0,MS1_match,HNICUWMFWZBIFP-BSZOFBHHSA-N,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+",CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,HNICUWMFWZBIFP,Fatty acids,Octadecanoids,Other Octadecanoids,Astragalus mongholicus,445993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus mongholicus'],6,0,6.0 642,13668,-1,,,,0.0,MS1_match,FBUKMFOXMZRGRB-SQGUUQMOSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1",CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,FBUKMFOXMZRGRB,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Senegalia lenticularis,880806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia lenticularis'],6,0,6.0 643,13668,-1,,,,0.0,MS1_match,FBUKMFOXMZRGRB-SQGUUQMOSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1",CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,FBUKMFOXMZRGRB,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,0,6.0 644,13668,-1,,,,0.0,MS1_match,FBUKMFOXMZRGRB-SQGUUQMOSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1",CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,FBUKMFOXMZRGRB,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Acacia pubescens,485969.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia pubescens'],6,0,6.0 645,13668,-1,,,,0.0,MS1_match,FBUKMFOXMZRGRB-SQGUUQMOSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1",CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,FBUKMFOXMZRGRB,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Acacia mollissima,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,0,6.0 646,13668,-1,,,,0.0,MS1_match,FBUKMFOXMZRGRB-SQGUUQMOSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1",CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,FBUKMFOXMZRGRB,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Senegalia torta,6095528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia torta'],6,0,6.0 647,13668,-1,,,,0.0,MS1_match,FBUKMFOXMZRGRB-SQGUUQMOSA-N,"InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1",CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCC(=O)O,C18H32O3,pos_2MNa,296.235144884,FBUKMFOXMZRGRB,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Vachellia nilotica,60610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia nilotica'],6,0,6.0 648,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UKMVMLAPSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14?,27-25+,28-26?,31-17+,32-18?,33-21+,34-22?",CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Acacia terminalis,485967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia terminalis'],6,0,6.0 649,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago falcata,1030374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago falcata'],6,0,6.0 650,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago prostrata,510777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago prostrata'],6,0,6.0 651,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago hybrida,292219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago hybrida'],6,0,6.0 652,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago cancellata,800496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago cancellata'],6,0,6.0 653,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago cretacea,292212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago cretacea'],6,0,6.0 654,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago ruthenica,424988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago ruthenica'],6,0,6.0 655,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago arabica,525750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago arabica'],6,0,6.0 656,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago carstiensis,292214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago carstiensis'],6,0,6.0 657,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago marina,292223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago marina'],6,0,6.0 658,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago daghestanica,950611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago daghestanica'],6,0,6.0 659,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago pironae,292215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago pironae'],6,0,6.0 660,13668,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Medicago saxatilis,785645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago saxatilis'],6,0,6.0 661,13668,-1,,,,0.0,MS1_match,OAIJSZIZWZSQBC-GYZMGTAESA-N,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C,C40H56,pos_1_1proton1dmso,536.438201792,OAIJSZIZWZSQBC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],6,0,6.0 662,13668,-1,,,,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_1_1proton1dmso,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],6,0,6.0 663,13666,1875,Terpenoids,Diterpenoids,Androstane steroids,0.56709796,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,2,8.268391847610474 664,13666,1875,Terpenoids,Diterpenoids,Androstane steroids,0.56709796,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,2,8.268391847610474 665,13665,57,Terpenoids,Steroids,Cardenolides,0.40305278,ISDB,,,,,,,UXPIKHJBVZTUNU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6122111082077026 666,13663,-1,,,,0.22793229,ISDB,HXZRMADPDYFMEB-FTTMEYFSSA-N,"InChI=1S/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33+,34+,35-,36+,37-,40-/m0/s1",C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1,C40H68N2O8,,704.497567136,HXZRMADPDYFMEB,Polyketides,Polyethers,,Lissoclinum bistratum,331871.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Didemnidae'],['Unknown'],['Lissoclinum'],['Lissoclinum bistratum'],1,0,1.9117291569709778 667,13663,-1,,,,0.22793229,ISDB,HXZRMADPDYFMEB-FTTMEYFSSA-N,"InChI=1S/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33+,34+,35-,36+,37-,40-/m0/s1",C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1,C40H68N2O8,,704.497567136,HXZRMADPDYFMEB,Polyketides,Polyethers,,Trididemnum cyclops,998438.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Didemnidae'],['Unknown'],['Trididemnum'],['Trididemnum cyclops'],1,0,1.9117291569709778 668,13661,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.22810517,ISDB,JZYOIEIVFSLACH-HHHXNRCGSA-N,"InChI=1S/C29H58N4O2/c1-5-6-18-28(34)19-12-10-8-7-9-11-17-27-26-29(35)30-20-15-23-31(2)21-13-14-22-32(3)24-16-25-33(27)4/h27H,5-26H2,1-4H3,(H,30,35)/t27-/m1/s1",CCCCC(=O)CCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C,C29H58N4O2,,494.455977096,JZYOIEIVFSLACH,Alkaloids,Ornithine alkaloids,Polyamines,Albizia amara,703120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia amara'],3,0,3.912420690059662 669,13660,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21472156,ISDB,CYGFGZXXQOQUBI-NKFKFSAASA-N,"InChI=1S/C26H34O5/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-30-25-22(28-5)17-21-13-14-23(27)31-24(21)26(25)29-6/h9,11,13-15,17H,7-8,10,12,16H2,1-6H3/b19-11+,20-15+",COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C26H34O5,,426.2406241879999,CYGFGZXXQOQUBI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Artemisia tripartita,202523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia tripartita'],3,1,4.358886241912842 670,13660,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21472156,ISDB,CYGFGZXXQOQUBI-NKFKFSAASA-N,"InChI=1S/C26H34O5/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-30-25-22(28-5)17-21-13-14-23(27)31-24(21)26(25)29-6/h9,11,13-15,17H,7-8,10,12,16H2,1-6H3/b19-11+,20-15+",COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C26H34O5,,426.2406241879999,CYGFGZXXQOQUBI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Achillea ochroleuca,395144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea ochroleuca'],3,1,4.358886241912842 671,13660,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21472156,ISDB,CYGFGZXXQOQUBI-NKFKFSAASA-N,"InChI=1S/C26H34O5/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-30-25-22(28-5)17-21-13-14-23(27)31-24(21)26(25)29-6/h9,11,13-15,17H,7-8,10,12,16H2,1-6H3/b19-11+,20-15+",COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C26H34O5,,426.2406241879999,CYGFGZXXQOQUBI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Brocchia cinerea,997914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cotula'],['Cotula cinerea'],3,1,4.358886241912842 672,13660,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21472156,ISDB,CYGFGZXXQOQUBI-NKFKFSAASA-N,"InChI=1S/C26H34O5/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-30-25-22(28-5)17-21-13-14-23(27)31-24(21)26(25)29-6/h9,11,13-15,17H,7-8,10,12,16H2,1-6H3/b19-11+,20-15+",COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C26H34O5,,426.2406241879999,CYGFGZXXQOQUBI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Artemisia vestita,7051003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia vestita'],3,1,4.358886241912842 673,13660,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21472156,ISDB,CYGFGZXXQOQUBI-NKFKFSAASA-N,"InChI=1S/C26H34O5/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-30-25-22(28-5)17-21-13-14-23(27)31-24(21)26(25)29-6/h9,11,13-15,17H,7-8,10,12,16H2,1-6H3/b19-11+,20-15+",COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C26H34O5,,426.2406241879999,CYGFGZXXQOQUBI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Achillea pseudopectinata,870490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea pseudopectinata'],3,1,4.358886241912842 674,13660,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21472156,ISDB,CYGFGZXXQOQUBI-NKFKFSAASA-N,"InChI=1S/C26H34O5/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-30-25-22(28-5)17-21-13-14-23(27)31-24(21)26(25)29-6/h9,11,13-15,17H,7-8,10,12,16H2,1-6H3/b19-11+,20-15+",COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C26H34O5,,426.2406241879999,CYGFGZXXQOQUBI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Achillea depressa,870490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea pseudopectinata'],3,1,4.358886241912842 675,13659,-1,,,,0.5173635,ISDB,OJZQYJGQIQVZMQ-VQTJNVASSA-N,"InChI=1S/C26H32O4/c1-16(2)19-12-10-17(3)14-20(19)24-23(30-4)15-22(28)25(26(24)29)21(27)13-11-18-8-6-5-7-9-18/h5-9,14-16,19-20,28-29H,10-13H2,1-4H3/t19-,20+/m0/s1",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@@H]1C=C(C)CC[C@H]1C(C)C,C26H32O4,,408.230059504,OJZQYJGQIQVZMQ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Etlingera littoralis,539426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Etlingera'],['Etlingera littoralis'],3,0,5.069453954696655 676,13659,-1,,,,0.5173635,ISDB,OJZQYJGQIQVZMQ-UXHICEINSA-N,"InChI=1S/C26H32O4/c1-16(2)19-12-10-17(3)14-20(19)24-23(30-4)15-22(28)25(26(24)29)21(27)13-11-18-8-6-5-7-9-18/h5-9,14-16,19-20,28-29H,10-13H2,1-4H3/t19-,20+/m1/s1",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@H]1C=C(C)CC[C@@H]1C(C)C,C26H32O4,,408.230059504,OJZQYJGQIQVZMQ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Piper hostmannianum,232999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper hostmannianum'],3,0,5.069453954696655 677,13659,-1,,,,0.5173635,ISDB,OJZQYJGQIQVZMQ-UHFFFAOYSA-N,"InChI=1S/C26H32O4/c1-16(2)19-12-10-17(3)14-20(19)24-23(30-4)15-22(28)25(26(24)29)21(27)13-11-18-8-6-5-7-9-18/h5-9,14-16,19-20,28-29H,10-13H2,1-4H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1C1C=C(C)CCC1C(C)C,C26H32O4,,408.230059504,OJZQYJGQIQVZMQ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Piper trichoneuron,1083301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper trichoneuron'],3,0,5.069453954696655 678,13659,-1,,,,0.5173635,ISDB,OJZQYJGQIQVZMQ-UXHICEINSA-N,"InChI=1S/C26H32O4/c1-16(2)19-12-10-17(3)14-20(19)24-23(30-4)15-22(28)25(26(24)29)21(27)13-11-18-8-6-5-7-9-18/h5-9,14-16,19-20,28-29H,10-13H2,1-4H3/t19-,20+/m1/s1",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@H]1C=C(C)CC[C@@H]1C(C)C,C26H32O4,,408.230059504,OJZQYJGQIQVZMQ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],3,0,5.069453954696655 679,13659,-1,,,,0.5173635,ISDB,OJZQYJGQIQVZMQ-UXHICEINSA-N,"InChI=1S/C26H32O4/c1-16(2)19-12-10-17(3)14-20(19)24-23(30-4)15-22(28)25(26(24)29)21(27)13-11-18-8-6-5-7-9-18/h5-9,14-16,19-20,28-29H,10-13H2,1-4H3/t19-,20+/m1/s1",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@H]1C=C(C)CC[C@@H]1C(C)C,C26H32O4,,408.230059504,OJZQYJGQIQVZMQ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Piper aduncum,110421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper aduncum'],3,0,5.069453954696655 680,13658,910,Terpenoids,Steroids,Androstane steroids,0.72817403,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.412696123123169 681,13655,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42876276,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.215051054954529 682,13651,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7242535,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.397013902664185 683,13651,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7242535,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.397013902664185 684,13649,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3197031,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,9.778812408447266 685,13648,540,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,BTDPBXZCKBVWTJ-KRWDZBQOSA-N,"InChI=1S/C18H36O4/c19-16-12-8-3-1-2-5-9-13-17(20)14-10-6-4-7-11-15-18(21)22/h17,19-20H,1-16H2,(H,21,22)/t17-/m0/s1",O=C(O)CCCCCCC[C@@H](O)CCCCCCCCCO,C18H36O4,pos_2MK,316.261359632,BTDPBXZCKBVWTJ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,7.5 686,13647,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,ZQGOYEJYAYJFTL-BTMCAZCFSA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,59H,1,13-24,26H2,2-11H3/b34-25+,42-27?,43-27?,44-28?,45-29?,46-28?,47-29?,52-50?/t32-,33-,36+,40+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H72N4O6,pos_1_1proton,884.545186024,ZQGOYEJYAYJFTL,Terpenoids,,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,1,6.5 687,13646,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1sodium,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 688,13640,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47462285,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.398491382598877 689,13640,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47462285,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.398491382598877 690,13638,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.53397477,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.635899066925049 691,13636,1547,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,MGIQTXDHQJGPEZ-WUXMJOGZSA-N,"InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+",C=C1CC/C=C(/CO)CCC2C1CC2(C)C,C15H24O,pos_2MH,220.182715388,MGIQTXDHQJGPEZ,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 692,13636,1547,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_2MH,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 693,13636,1547,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,NONDJOZVZVTVHD-POHAHGRESA-N,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h6,12-14,16H,2,5,7-9H2,1,3-4H3/b10-6-",C=C1CCC2C(CC2(C)C)/C(C)=C\CC1O,C15H24O,pos_2MH,220.182715388,NONDJOZVZVTVHD,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 694,13636,1547,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,CIIYOYPOMGIECX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3",C=C1CCC2C(CC2(C)C)C(=C)CCC1O,C15H24O,pos_2MH,220.182715388,CIIYOYPOMGIECX,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 695,13634,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.54116017,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.664640665054321 696,13627,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31410578,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.756423115730286 697,13627,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31410578,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.756423115730286 698,13625,741,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.49957842,ISDB,JWSZHXUOIHAACR-UHFFFAOYSA-N,"InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-23-26(24-28)27-25/h15-16,22-24,27H,2-14,17-21H2,1H3",CCCCCCCCCCCCCCC=CCCCCCc1ccc(C=O)[nH]1,C26H45NO,,387.35011506,JWSZHXUOIHAACR,,,,Mycale mytilorum,2837553.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Mycalidae'],['Unknown'],['Mycale'],['Mycale mytilorum'],1,0,2.9983136653900146 699,13624,-1,,,,0.48647875,ISDB,OZXWCKDLDCHGLN-ZNUSNMFFSA-N,"InChI=1S/C36H58O9/c1-18-16-25(39)36(31(43)45-30-29(42)28(41)27(40)21(17-37)44-30)15-14-34(6)20(26(36)19(18)2)8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-35(23,34)7/h8,18-19,21-30,37-42H,9-17H2,1-7H3/t18-,19+,21-,22+,23-,24+,25+,26+,27-,28+,29-,30+,33+,34-,35-,36-/m1/s1",C[C@H]1[C@H](C)C[C@H](O)[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C36H58O9,,634.408083436,OZXWCKDLDCHGLN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,6.94591498374939 700,13621,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31058508,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.742340326309204 701,13621,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31058508,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.742340326309204 702,13620,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56286234,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.751449346542358 703,13620,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56286234,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.751449346542358 704,13616,-1,,,,0.5229044,ISDB,HIWMYGWPPTZIGR-AIJIBBQMSA-N,"InChI=1S/C35H52O3/c1-19(2)29-23-11-10-21(4)30-22-14-34(7,26(30)16-33(23,6)17-27(29)36)35(15-22)25-13-24-20(3)9-8-12-32(24,5)18-28(25)38-31(35)37/h9,19,21-25,27-29,36H,8,10-18H2,1-7H3/t21-,22+,23-,24+,25+,27+,28-,29+,32-,33-,34+,35-/m0/s1",CC1=CCC[C@@]2(C)C[C@@H]3OC(=O)[C@]4(C[C@H]5C[C@]4(C)C4=C5[C@@H](C)CC[C@H]5[C@@H](C(C)C)[C@H](O)C[C@]5(C)C4)[C@@H]3C[C@H]12,C35H52O3,,520.391645524,HIWMYGWPPTZIGR,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Plagiochila rutilans var. moritziana,160986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Plagiochilaceae'],['Unknown'],['Plagiochila'],['Plagiochila rutilans'],3,0,5.091617584228516 705,13613,3584,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6246593,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.998637199401855 706,13605,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.71060413,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.342416524887085 707,13605,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.71060413,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.342416524887085 708,13604,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5730372,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.79214882850647 709,13603,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.66415733,ISDB,VNEORENRGFLDMN-DSJDWBEOSA-N,"InChI=1S/C20H28O3/c1-11(2)12-10-20-14(9-13(12)21)19(5)8-6-7-18(3,4)16(19)15(22)17(20)23-20/h9-11,15-17,22H,6-8H2,1-5H3/t15-,16+,17-,19-,20+/m1/s1",CC(C)C1=C[C@@]23O[C@@H]2[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=CC1=O,C20H28O3,,316.203844756,VNEORENRGFLDMN,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.15662932395935 710,13602,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37038618,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.981544733047485 711,13600,-1,,,,0.52594364,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus macrolepis,216741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus macrolepis'],5,0,7.103774547576904 712,13600,-1,,,,0.52594364,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,0,7.103774547576904 713,13595,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.26588705,ISDB,,,,,,,ZJTSOHVFOHPWJC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.06354820728302 714,13592,2107,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5755477,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.802190780639648 715,13591,-1,,,,0.35536313,ISDB,UBPHNKCXZWAOFK-UHFFFAOYSA-N,"InChI=1S/C30H60O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(33)34-28-29(32)27-31/h29,31-32H,2-28H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,C30H60O4,,484.4491604,UBPHNKCXZWAOFK,Fatty acids,Glycerolipids,Diacylglycerols,Sargassum parvivesiculosum,2820549.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Fucales'],['Sargassaceae'],['Unknown'],['Sargassum'],['Sargassum parvivesiculosum'],1,0,2.421452522277832 716,13590,-1,,,,0.7203758,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,10.881503105163574 717,13589,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,BSAIUMLZVGUGKX-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3",CCCCCCC=CC=O,C9H16O,pos_1_minus1proton1magnesium,140.120115132,BSAIUMLZVGUGKX,Fatty acids,Fatty acyls,Fatty aldehydes,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],7,3,8.5 718,13588,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47761518,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.410460710525513 719,13587,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.66907066,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.17628264427185 720,13584,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.68316495,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.232659816741943 721,13583,1425,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,0.76388997,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.555559873580933 722,13580,62,Terpenoids,Triterpenoids,Lipopeptides,0.26948014,ISDB,,,,,,,QAZWJOOGKLJESZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0779205560684204 723,13577,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.26514754,ISDB,UIYLAWWWFYWOAN-NSAKQVMCSA-N,"InChI=1S/C30H48O5/c1-16-12-18-23(25(4,5)33)35-30(34-18)14-27(7)22-17(31)13-19-24(2,3)20(32)8-9-28(19)15-29(22,28)11-10-26(27,6)21(16)30/h16-23,31-33H,8-15H2,1-7H3/t16-,17+,18-,19+,20+,21-,22+,23+,26-,27+,28-,29+,30-/m1/s1",C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@@H](O)C[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O,C30H48O5,,488.350174636,UIYLAWWWFYWOAN,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus orbiculatus,3925001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus orbiculatus'],4,2,6.060590147972107 724,13576,347,Terpenoids,Triterpenoids,Cholestane steroids,0.5182239,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,7.572895526885986 725,13575,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65396214,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.115848541259766 726,13574,540,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,GCUMPGCBTUSGIM-MRXNPFEDSA-N,"InChI=1S/C17H34O4/c18-15-11-7-3-5-9-13-16(19)12-8-4-1-2-6-10-14-17(20)21/h16,18-19H,1-15H2,(H,20,21)/t16-/m1/s1",O=C(O)CCCCCCCC[C@@H](O)CCCCCCCO,C17H34O4,pos_2MK,302.245709568,GCUMPGCBTUSGIM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,7.5 727,13573,222,,,,0.27641234,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,4.105649352073669 728,13572,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7317388,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.426955223083496 729,13572,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7317388,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.426955223083496 730,13569,109,Fatty acids,Fatty amides,Primary amides,0.7189098,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],3,3,7.375639200210571 731,13569,109,Fatty acids,Fatty amides,Primary amides,0.7189098,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],3,3,7.375639200210571 732,13569,109,Fatty acids,Fatty amides,Primary amides,0.7189098,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],3,3,7.375639200210571 733,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-UHFFFAOYSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)",O=C(O)C(O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],6,0,6.0 734,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-REOHCLBHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",O=C(O)[C@@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 735,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-REOHCLBHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",O=C(O)[C@@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lotus tenuis,484504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus tenuis'],6,0,6.0 736,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-REOHCLBHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",O=C(O)[C@@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lotus filicaulis,653433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus filicaulis'],6,0,6.0 737,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-REOHCLBHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",O=C(O)[C@@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lotus creticus,472038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus creticus'],6,0,6.0 738,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-REOHCLBHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",O=C(O)[C@@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lotus burttii,152567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus burttii'],6,0,6.0 739,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-REOHCLBHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",O=C(O)[C@@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 740,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-UHFFFAOYSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)",O=C(O)C(O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 741,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-UWTATZPHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",O=C(O)[C@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 742,13567,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-UWTATZPHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",O=C(O)[C@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 743,13566,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.63342285,ISDB,ZCAIRJNQIKOVRP-QCCPTUIVSA-N,"InChI=1S/C42H66O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-25,27-35,43-44,46-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)C(=O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C42H66O13,,778.4503421720001,ZCAIRJNQIKOVRP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bupleurum chinense,486734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum chinense'],4,3,8.03369140625 744,13564,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5767974,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.807189702987671 745,13564,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5767974,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.807189702987671 746,13555,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4624239,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.349695563316345 747,13551,57,Terpenoids,Steroids,Cardenolides,0.47632423,ISDB,FYRWUOIGVXELML-VFLLYDROSA-N,"InChI=1S/C39H62O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-34(32(45)30(43)27(15-40)50-36)51-35-33(46)31(44)29(42)19(3)48-35/h17-24,26-36,40,42-46H,6-16H2,1-5H3/t17-,18+,19+,20+,21-,22+,23+,24-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37-,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,,738.419042044,FYRWUOIGVXELML,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],4,2,6.9052969217300415 748,13549,-1,,,,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1methanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 749,13549,-1,,,,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1methanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 750,13549,-1,,,,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1methanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 751,13549,-1,,,,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1methanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 752,13549,-1,,,,0.0,MS1_match,MIROITGPMGDCGI-MQXQNARFSA-N,"InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1",C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C34H54O4,pos_1_minus1proton1magnesium,526.4022102079999,MIROITGPMGDCGI,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,7.0 753,13549,-1,,,,0.0,MS1_match,MIROITGPMGDCGI-MQXQNARFSA-N,"InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1",C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C34H54O4,pos_1_minus1proton1magnesium,526.4022102079999,MIROITGPMGDCGI,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,7.0 754,13547,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.20903653,ISDB,,,,,,,QEIZUVAZEUBTHQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8361461162567139 755,13541,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.57382727,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,2,7.295309066772461 756,13540,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.46831858,ISDB,CBXQOLAGWKNVAH-URYCBDTRSA-N,"InChI=1S/C38H60O11/c1-19-11-14-38(32(45)47-18-23-26(40)27(41)28(42)31(44)49-23)16-15-35(6)21(29(38)37(19,8)46)9-10-25-34(5)17-22(48-20(2)39)30(43)33(3,4)24(34)12-13-36(25,35)7/h9,19,22-31,40-44,46H,10-18H2,1-8H3/t19-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31-,34+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@](C(=O)OC[C@H]6O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]6O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O,C38H60O11,,692.41356274,CBXQOLAGWKNVAH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus cochinchinensis,538507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus cochinchinensis'],4,2,6.873274326324463 757,13538,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6790163,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.216065168380737 758,13536,-1,,,,0.5175339,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0701355934143066 759,13532,177,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3855668,ISDB,GSTPMGXNIQLCGP-XOUWFVAVSA-N,"InChI=1S/C48H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(49)50-41-29-30-46(7)39(44(41,4)5)28-31-48(9)40(46)27-26-37-38-36-43(2,3)32-33-45(38,6)34-35-47(37,48)8/h14-15,17-18,26,38-41H,10-13,16,19-25,27-36H2,1-9H3/b15-14-,18-17-/t38-,39-,40+,41-,45+,46-,47+,48+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C48H80O2,,688.6158318,GSTPMGXNIQLCGP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,7.042267203330994 760,13531,1970,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,pos_1_1sodium1acetonitrile,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 761,13530,567,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,pos_1_1sodium,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 762,13529,556,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37172344,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,9.986893773078918 763,13528,201,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.9451952,ISDB,KKEMJECGJYQXLI-KKERGYOBSA-N,"InChI=1S/C14H16O3/c1-7-8-3-4-9-13(2)10(15)5-6-14(9,13)11(8)17-12(7)16/h5-9,11H,3-4H2,1-2H3/t7-,8+,9-,11+,13+,14+/m1/s1",C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@H]1[C@@]23C=CC(=O)[C@]13C,C14H16O3,,232.109944372,KKEMJECGJYQXLI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Artemisia caerulescens,119269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia caerulescens'],3,3,8.280780792236328 764,13520,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.26195785,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.047831416130066 765,13515,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52902085,ISDB,ODFCWXVQZAQDSO-CMKODMSKSA-N,"InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C20H30O2,,302.2245802,ODFCWXVQZAQDSO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.11608338356018 766,13514,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5195491,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.578196287155151 767,13510,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.31075984,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,2,7.24303936958313 768,13509,2467,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5826695,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.83067798614502 769,13509,2467,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5826695,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.83067798614502 770,13507,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7350246,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.940098285675049 771,13499,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.42118052,ISDB,DBXOINQVJUWNRR-UHFFFAOYSA-N,"InChI=1S/C24H32O4/c1-26-20-17-15-19(16-18-20)11-8-6-4-5-7-9-12-21(25)24-22(27-2)13-10-14-23(24)28-3/h10,13-18H,4-9,11-12H2,1-3H3",COc1ccc(CCCCCCCCC(=O)c2c(OC)cccc2OC)cc1,C24H32O4,,384.230059504,DBXOINQVJUWNRR,Polyketides,Aromatic polyketides,Catechols with side chains,Myristica fragrans,710320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Myristica'],['Myristica fragrans'],3,3,6.184722065925598 772,13490,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1sodium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Bauhinia racemosa,522553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia racemosa'],7,3,8.5 773,13490,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1sodium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phanera vahlii,276264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Phanera'],['Phanera vahlii'],7,3,8.5 774,13490,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1sodium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Bauhinia racemosa,522553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia racemosa'],7,3,8.5 775,13490,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1sodium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phanera vahlii,276264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Phanera'],['Phanera vahlii'],7,3,8.5 776,13490,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,IJEZFJFCQWYKEM-KJJVUBFFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CCC=CCC=CCC=CCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_1_minus1proton2sodium,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phanera vahlii,276264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Phanera'],['Phanera vahlii'],7,3,8.5 777,13490,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,IJEZFJFCQWYKEM-KJJVUBFFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CCC=CCC=CCC=CCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_1_minus1proton2sodium,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Bauhinia racemosa,522553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia racemosa'],7,3,8.5 778,13488,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5051087,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.520434856414795 779,13482,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3442564,ISDB,,,,,,,AEOPOJXVDKIMSQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3770256042480469 780,13480,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.28947416,ISDB,JZYNFCPCWFSNOL-XXOXUEAOSA-N,"InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32-,33+,34+,35+,36+,39-,40-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@H]21,C40H56O4,,600.417860272,JZYNFCPCWFSNOL,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],5,1,6.657896637916565 781,13480,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.28947416,ISDB,JZYNFCPCWFSNOL-LXBJXQDPSA-N,"InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32+,33-,34-,35-,36-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@H]21,C40H56O4,,600.417860272,JZYNFCPCWFSNOL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,1,6.657896637916565 782,13478,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.24523914,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],3,2,4.980956554412842 783,13477,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.38301438,ISDB,HFWSHEGCAPRVLI-BJLLYVFTSA-N,"InChI=1S/C21H34O3/c1-7-18(2)13-9-16-19(3)11-8-12-20(4,17(22)23-6)15(19)10-14-21(16,5)24-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16-,18+,19+,20+,21-/m1/s1",C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@](C)(C(=O)OC)[C@@H]3CC[C@@]2(C)O1,C21H34O3,,334.250794948,HFWSHEGCAPRVLI,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.032057523727417 784,13476,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.64493346,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5797338485717773 785,13475,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.25413293,ISDB,VBRSAXVZIFOMBJ-VYKNDYEPSA-N,"InChI=1S/C34H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)40-34-26-20-24(2)21-28(35)31(26)33(38)32-27(34)22-25(39-3)23-29(32)36/h11-12,20-23,34-36H,4-10,13-19H2,1-3H3/b12-11+/t34-/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1c2cc(C)cc(O)c2C(=O)c2c(O)cc(OC)cc21,C34H46O6,,550.329439192,VBRSAXVZIFOMBJ,Polyketides,,,Rheum australe,514108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Rumiceae'],['Rheum'],['Rheum australe'],0,0,1.0165317058563232 786,13474,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.68275166,ISDB,NSKQGIAIXMEWPX-KHJCTFHVSA-N,"InChI=1S/C19H30O3/c1-11-7-14-12-5-4-6-18(3,16(21)22)13(12)8-15(20)19(14)9-17(11,2)10-19/h11-15,20H,4-10H2,1-3H3,(H,21,22)/t11-,12+,13+,14-,15+,17-,18+,19-/m0/s1",C[C@H]1C[C@H]2[C@@H]3CCC[C@@](C)(C(=O)O)[C@@H]3C[C@@H](O)[C@]23C[C@@]1(C)C3,C19H30O3,,306.21949482,NSKQGIAIXMEWPX,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Helianthus argophyllus,769540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus argophyllus'],4,2,7.731006622314453 787,13473,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5040328,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,8.016131162643433 788,13473,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5040328,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],6,0,8.016131162643433 789,13472,873,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.0,MS1_match,UQCSETXJXJTMKO-UMURLBKASA-N,"InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1",CC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C,C34H59N3O9,pos_2MHCH3CN,653.425130468,UQCSETXJXJTMKO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 790,13472,873,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.0,MS1_match,UQCSETXJXJTMKO-UMURLBKASA-N,"InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1",CC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C,C34H59N3O9,pos_2MHCH3CN,653.425130468,UQCSETXJXJTMKO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 791,13472,873,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.0,MS1_match,PKDCQKBQAKLZBD-SCUYQTRWSA-N,"InChI=1S/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3/t23-,24-,25-,26+,27+,28+/m0/s1",CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C,C34H59N3O9,pos_2MHCH3CN,653.4251304679999,PKDCQKBQAKLZBD,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 792,13470,124,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Bauhinia racemosa,522553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia racemosa'],7,3,8.5 793,13470,124,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phanera vahlii,276264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Phanera'],['Phanera vahlii'],7,3,8.5 794,13470,124,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Bauhinia racemosa,522553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia racemosa'],7,3,8.5 795,13470,124,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,KDYAPQVYJXUQNY-OPHDRXFHSA-N,"InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C51H84O15,pos_1_1proton1ammonium,936.5810219880002,KDYAPQVYJXUQNY,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phanera vahlii,276264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Phanera'],['Phanera vahlii'],7,3,8.5 796,13468,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5760295,ISDB,,,,,,,JQSVUYIPZVCSHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3041179180145264 797,13467,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,NIKHGUQULKYIGE-OTCXFQBHSA-N,"InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1",C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3,C20H30O2,pos_1_1proton1methanol,302.2245802,NIKHGUQULKYIGE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,2,9.0 798,13467,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,TVHDZSRRHQKNEZ-MGFONVBGSA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14-,16-,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1,C20H30O2,pos_1_1proton1methanol,302.2245802,TVHDZSRRHQKNEZ,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,2,9.0 799,13464,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.41594687,ISDB,WTZRMMRIVFYQRE-RTDYXZJNSA-N,"InChI=1S/C42H72O12/c1-21(2)11-10-16-41(8,50)24-14-18-40(7)23(24)12-13-26-39(6)17-15-29(38(4,5)27(39)19-28(44)42(26,40)9)53-37-35(33(48)31(46)25(20-43)52-37)54-36-34(49)32(47)30(45)22(3)51-36/h11,22-37,43-50H,10,12-20H2,1-9H3/t22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40+,41+,42-/m0/s1",CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@@H]3C[C@H](O)[C@]12C,C42H72O12,,768.502377744,WTZRMMRIVFYQRE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Sapindus mukorossi,403790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Unknown'],['Sapindus'],['Sapindus mukorossi'],3,0,4.663787484169006 800,13463,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.0,MS1_match,DAIWNSRTSAKURT-UHFFFAOYSA-N,"InChI=1S/C36H62O10/c1-18(8-9-23(40)32(4,5)44)25-20(39)15-34(7)22-14-19(38)29-31(2,3)24(46-30-28(43)27(42)26(41)21(16-37)45-30)10-11-36(29)17-35(22,36)13-12-33(25,34)6/h18-30,37-44H,8-17H2,1-7H3",CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C,C36H62O10,pos_2MHNH3,654.434298184,DAIWNSRTSAKURT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus ulziykhutagii,3925102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus ulziykhutagii'],6,0,6.0 801,13463,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.0,MS1_match,DAIWNSRTSAKURT-PXNSIBHJSA-N,"InChI=1S/C36H62O10/c1-18(8-9-23(40)32(4,5)44)25-20(39)15-34(7)22-14-19(38)29-31(2,3)24(46-30-28(43)27(42)26(41)21(16-37)45-30)10-11-36(29)17-35(22,36)13-12-33(25,34)6/h18-30,37-44H,8-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,24+,25+,26-,27+,28-,29+,30+,33-,34+,35+,36-/m1/s1",C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C,C36H62O10,pos_2MHNH3,654.434298184,DAIWNSRTSAKURT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus pycnocephalus,1017336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus pycnocephalus'],6,0,6.0 802,13463,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.0,MS1_match,DAIWNSRTSAKURT-PXNSIBHJSA-N,"InChI=1S/C36H62O10/c1-18(8-9-23(40)32(4,5)44)25-20(39)15-34(7)22-14-19(38)29-31(2,3)24(46-30-28(43)27(42)26(41)21(16-37)45-30)10-11-36(29)17-35(22,36)13-12-33(25,34)6/h18-30,37-44H,8-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,24+,25+,26-,27+,28-,29+,30+,33-,34+,35+,36-/m1/s1",C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C,C36H62O10,pos_2MHNH3,654.434298184,DAIWNSRTSAKURT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus huetii,754108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus caprinus'],6,0,6.0 803,13460,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.28169355,ISDB,UORRAKMCELTARB-SQKRHONHSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.4812483759998,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,3,3.6267741918563843 804,13460,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.28169355,ISDB,UORRAKMCELTARB-CVELTQQQSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1",CCC=CCC=CCC=CCC=CCC=CCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Phaeodactylum tricornutum,529438.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Phaeodactylum'],['Phaeodactylum tricornutum'],1,3,3.6267741918563843 805,13460,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.28169355,ISDB,UORRAKMCELTARB-DXIJFMLOSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterosigma akashiwo,427257.0,['Eukaryota'],['Unknown'],['Unknown'],['Raphidophyceae'],['Unknown'],['Unknown'],['Unknown'],['Heterosigma'],['Heterosigma akashiwo'],1,3,3.6267741918563843 806,13460,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.28169355,ISDB,UORRAKMCELTARB-ZAXHEUPSSA-N,"InChI=1S/C45H68O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,30,32-37H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/CC,C45H68O10,,768.481248376,UORRAKMCELTARB,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Amphidinium,746952.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Unknown'],['Unknown'],['Unknown'],['Amphidinium'],['Unknown'],1,3,3.6267741918563843 807,13459,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21099773,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,7.343990921974182 808,13458,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5855862,ISDB,HCXQUFPQHLFUCK-RXCZXEIFSA-N,"InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(23)24-3)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16+,17+,19-,20-,21+/m1/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@H]4CO,C21H34O3,,334.250794948,HCXQUFPQHLFUCK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Baccharis minutiflora,7600036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis minutiflora'],4,2,7.342344760894775 809,13458,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5855862,ISDB,HCXQUFPQHLFUCK-RXCZXEIFSA-N,"InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(23)24-3)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16+,17+,19-,20-,21+/m1/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@H]4CO,C21H34O3,,334.250794948,HCXQUFPQHLFUCK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Beyeria leschenaultii,526463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Ricinocarpeae'],['Beyeria'],['Beyeria leschenaultii'],4,2,7.342344760894775 810,13455,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4763341,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.405336380004883 811,13455,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4763341,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.405336380004883 812,13453,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.21580987,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],3,2,4.8632394671440125 813,13452,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.39598885,ISDB,,,,,,,JOFHBPZILLCDFF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5839554071426392 814,13442,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.0,MS1_match,UNQSEULMISZTOV-QNUOLQLWSA-N,"InChI=1S/C33H52O4/c1-21(35)37-28-15-17-31(5)23-10-12-25-30(4,19-22(23)9-11-26(31)33(28,7)20-34)16-13-24-29(2,3)27(36-8)14-18-32(24,25)6/h9,20,23-28H,10-19H2,1-8H3/t23-,24-,25-,26+,27-,28-,30-,31+,32-,33+/m0/s1",CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5[C@@](C)(C=O)[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C,C33H52O4,pos_1_minus1proton1calcium,512.386560144,UNQSEULMISZTOV,Terpenoids,Triterpenoids,Serratane triterpenoids,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,3,7.5 815,13433,910,Terpenoids,Steroids,Androstane steroids,0.7220362,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.3881447315216064 816,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,2,8.441713333129883 817,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,2,8.441713333129883 818,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,2,8.441713333129883 819,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,2,8.441713333129883 820,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,2,8.441713333129883 821,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,2,8.441713333129883 822,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,2,8.441713333129883 823,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,2,8.441713333129883 824,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,2,8.441713333129883 825,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,2,8.441713333129883 826,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,2,8.441713333129883 827,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,2,8.441713333129883 828,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,2,8.441713333129883 829,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,2,8.441713333129883 830,13428,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.86042833,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,2,8.441713333129883 831,13427,645,Terpenoids,Steroids,Ergostane steroids,0.40120453,ISDB,NLNNWFCVCWSYSK-DCHSITBXSA-N,"InChI=1S/C35H58O10/c1-16(27(40)31(17(2)33(3,4)5)45-32-30(43)29(42)28(41)26(15-36)44-32)19-8-9-20-18-12-23(37)22-13-24(38)25(39)14-35(22,7)21(18)10-11-34(19,20)6/h16,18-22,24-32,36,38-43H,2,8-15H2,1,3-7H3/t16-,18-,19+,20+,21+,22+,24-,25+,26+,27+,28+,29-,30-,31+,32-,34+,35+/m0/s1",C=C([C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C)C(C)(C)C,C35H58O10,,638.402998056,NLNNWFCVCWSYSK,Terpenoids,Steroids,Ergostane steroids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,7.104818105697632 832,13426,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5705775,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,2,7.2823100090026855 833,13425,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51492673,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.559706926345825 834,13425,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51492673,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.559706926345825 835,13425,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51492673,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.559706926345825 836,13425,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51492673,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.559706926345825 837,13425,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51492673,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.559706926345825 838,13424,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.22951452,ISDB,UKHYBGGGLCRWHT-UHFFFAOYSA-N,"InChI=1S/C42H62O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-41(46)47-36-28-26-27-34(30-36)39-33-38(45)42-37(44)31-35(43)32-40(42)48-39/h26-28,30-33,43-44H,2-25,29H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cccc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1,C42H62O6,,662.454639704,UKHYBGGGLCRWHT,Shikimates and Phenylpropanoids,Flavonoids,,Ziziphora tenuior,409848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Ziziphora'],['Ziziphora tenuior'],4,2,5.918058097362518 839,13420,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.64999086,ISDB,ZOUJKJNUAOXJGL-UHFFFAOYSA-N,"InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1,C36H58O10,,650.402998056,ZOUJKJNUAOXJGL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polygala,414981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Unknown'],4,3,8.099963426589966 840,13420,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.64999086,ISDB,ZOUJKJNUAOXJGL-WQMXAPTBSA-N,"InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)/t20-,21-,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O10,,650.402998056,ZOUJKJNUAOXJGL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dolichos kilimandscharicus,68702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Dolichos'],['Dolichos kilimandscharicus'],4,3,8.099963426589966 841,13420,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.64999086,ISDB,ZOUJKJNUAOXJGL-WQMXAPTBSA-N,"InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)/t20-,21-,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O10,,650.402998056,ZOUJKJNUAOXJGL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Caryocar glabrum,436449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Caryocaraceae'],['Unknown'],['Caryocar'],['Caryocar glabrum'],4,3,8.099963426589966 842,13420,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.64999086,ISDB,ZOUJKJNUAOXJGL-WQMXAPTBSA-N,"InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)/t20-,21-,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O10,,650.402998056,ZOUJKJNUAOXJGL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polygala japonica,914376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Polygala japonica'],4,3,8.099963426589966 843,13420,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.64999086,ISDB,ZOUJKJNUAOXJGL-XJWBRSAFSA-N,"InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)/t20-,21+,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O10,,650.402998056,ZOUJKJNUAOXJGL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Luffa aegyptiaca,955527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Luffa'],['Luffa aegyptiaca'],4,3,8.099963426589966 844,13409,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6626219,ISDB,VNEORENRGFLDMN-DSJDWBEOSA-N,"InChI=1S/C20H28O3/c1-11(2)12-10-20-14(9-13(12)21)19(5)8-6-7-18(3,4)16(19)15(22)17(20)23-20/h9-11,15-17,22H,6-8H2,1-5H3/t15-,16+,17-,19-,20+/m1/s1",CC(C)C1=C[C@@]23O[C@@H]2[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=CC1=O,C20H28O3,,316.203844756,VNEORENRGFLDMN,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.150487661361694 845,13408,173,Shikimates and Phenylpropanoids,Flavonoids,Serratane triterpenoids,0.23242551,ISDB,LRCJVQJYXQCXDX-SSEXGKCCSA-N,"InChI=1S/C34H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)40-30(23-20-25(2)3)26-24-29(37)32-27(35)21-22-28(36)33(32)34(26)39/h11-12,14-15,20-22,24,30,35-36H,4-10,13,16-19,23H2,1-3H3/t30-/m1/s1",CCCCCCCCC=CCC=CCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O,C34H46O6,,550.329439192,LRCJVQJYXQCXDX,,,,Lithospermum erythrorhizon,791528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Lithospermum'],['Lithospermum erythrorhizon'],0,0,0.9297020435333252 846,13403,1425,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,0.7576588,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.530635118484497 847,13402,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.41697693,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,2,7.66790771484375 848,13402,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.41697693,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,7.66790771484375 849,13402,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.41697693,ISDB,RWNHLTKFBKYDOJ-WLVUEYHVSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis fissa,651161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis fissa'],5,2,7.66790771484375 850,13402,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.41697693,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,7.66790771484375 851,13402,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.41697693,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica gale,79360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica gale'],5,2,7.66790771484375 852,13402,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.41697693,ISDB,RWNHLTKFBKYDOJ-IJDLJTCJSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19?,20-,21?,22?,23+,26+,27+,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1,C30H48O5,,488.350174636,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,2,7.66790771484375 853,13402,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.41697693,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella esculenta,223079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella esculenta'],5,2,7.66790771484375 854,13401,347,Terpenoids,Triterpenoids,Cholestane steroids,0.50934106,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,7.53736424446106 855,13397,109,Fatty acids,Fatty amides,Primary amides,0.7101851,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],3,3,7.340740442276001 856,13397,109,Fatty acids,Fatty amides,Primary amides,0.7101851,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],3,3,7.340740442276001 857,13397,109,Fatty acids,Fatty amides,Primary amides,0.7101851,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],3,3,7.340740442276001 858,13396,1970,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,pos_2MNa,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 859,13395,567,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,pos_1_1sodium,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 860,13394,201,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.9439633,ISDB,KKEMJECGJYQXLI-KKERGYOBSA-N,"InChI=1S/C14H16O3/c1-7-8-3-4-9-13(2)10(15)5-6-14(9,13)11(8)17-12(7)16/h5-9,11H,3-4H2,1-2H3/t7-,8+,9-,11+,13+,14+/m1/s1",C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@H]1[C@@]23C=CC(=O)[C@]13C,C14H16O3,,232.109944372,KKEMJECGJYQXLI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Artemisia caerulescens,119269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia caerulescens'],3,3,8.275853157043457 861,13392,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 862,13392,-1,,,,0.0,MS1_match,WWRCMNKATXZARA-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",Cc1ccccc1C(C)C,C10H14,pos_1_1proton,134.109550448,WWRCMNKATXZARA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 863,13391,109,Fatty acids,Fatty amides,Primary amides,0.7384668,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,8.453867197036743 864,13391,109,Fatty acids,Fatty amides,Primary amides,0.7384668,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,8.453867197036743 865,13391,109,Fatty acids,Fatty amides,Primary amides,0.7384668,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],4,3,8.453867197036743 866,13390,109,Fatty acids,Fatty amides,Primary amides,0.7310962,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],3,3,7.424384832382202 867,13390,109,Fatty acids,Fatty amides,Primary amides,0.7310962,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],3,3,7.424384832382202 868,13390,109,Fatty acids,Fatty amides,Primary amides,0.7310962,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],3,3,7.424384832382202 869,13389,574,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.4404509,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.76180362701416 870,13386,109,Fatty acids,Fatty amides,Primary amides,0.715394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],3,3,7.361576080322266 871,13386,109,Fatty acids,Fatty amides,Primary amides,0.715394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],3,3,7.361576080322266 872,13386,109,Fatty acids,Fatty amides,Primary amides,0.715394,ISDB,UAUDZVJPLUQNMU-KTKRTIGZSA-N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,C22H43NO,,337.334464996,UAUDZVJPLUQNMU,Fatty acids,Fatty amides,Primary amides,Raphanus raphanistrum,376999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus raphanistrum'],3,3,7.361576080322266 873,13383,1970,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,pos_1_1sodium1acetonitrile,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 874,13381,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5083842,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,1,6.533536911010742 875,13366,-1,,,,0.73362094,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.934483766555786 876,13365,3148,,,,0.4075687,ISDB,,,,,,,RRMJJBAITFJNEC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.630274772644043 877,13361,1010,Terpenoids,Steroids,Catechols with side chains,0.648463,ISDB,KBDNHCBOCXMQNL-UHFFFAOYSA-N,"InChI=1S/C26H48O3/c1-2-3-4-5-13-16-19-22-25(27)23-20-17-14-11-9-7-6-8-10-12-15-18-21-24-26(28)29/h13,16H,2-12,14-15,17-24H2,1H3,(H,28,29)",CCCCCC=CCCC(=O)CCCCCCCCCCCCCCCC(=O)O,C26H48O3,,408.360345396,KBDNHCBOCXMQNL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Cuspidaria convoluta,695330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Bignonieae'],['Cuspidaria'],['Cuspidaria convoluta'],4,0,6.5938520431518555 878,13360,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.5996888,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.898755311965942 879,13359,1010,Terpenoids,Steroids,Catechols with side chains,0.6755441,ISDB,JCDQIGVVGKBORW-UHFFFAOYSA-N,"InChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23-26(28)22-24/h21-23,27-28H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1,C26H46O2,,390.349780712,JCDQIGVVGKBORW,Polyketides,Aromatic polyketides,Catechols with side chains,Chenopodium quinoa,117198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium quinoa'],4,3,8.202176332473755 880,13358,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31547952,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,8.761918067932129 881,13356,556,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40304843,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.112193703651428 882,13351,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5309069,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.623627662658691 883,13350,966,Polyketides,Aromatic polyketides,Catechols with side chains,0.2216349,ISDB,,,,,,,VSBSGPAHKWUVGP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8865395784378052 884,13347,-1,,,,0.21141057,ISDB,,,,,,,FNMNUBCZCGPJJU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8456422686576843 885,13346,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32396477,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.795859098434448 886,13346,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32396477,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.795859098434448 887,13343,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton1isopropanol,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,3,8.5 888,13340,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38504353,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.040174126625061 889,13337,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5225293,ISDB,BBIYNCKQNWYEAZ-NDEBMAAUSA-N,"InChI=1S/C40H60O4/c1-25(2)11-10-12-28-16-19-38(8,35(43)44)31(24-28)32(41)23-27(4)39(9)21-15-26(3)40(39)22-17-29-30(40)13-14-33-36(5,6)34(42)18-20-37(29,33)7/h11,16,27,31,33-34,42H,3,10,12-15,17-24H2,1-2,4-9H3,(H,43,44)/t27-,31-,33+,34+,37-,38+,39+,40+/m1/s1",C=C1CC[C@@](C)([C@H](C)CC(=O)[C@H]2CC(CCC=C(C)C)=CC[C@]2(C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C,C40H60O4,,604.4491603999999,BBIYNCKQNWYEAZ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,8.59011721611023 890,13334,-1,,,,0.0,MS1_match,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,pos_1_1proton,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 891,13332,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5221549,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.588619709014893 892,13331,-1,,,,0.28653848,ISDB,WFVNZHRELNLEFI-ZMEWJFTKSA-N,"InChI=1S/C40H66N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30,33-37,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,33-,34+,35-,36+,37-,40-/m0/s1",C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)C(C)=O)O3)CC[C@@H]2C)O1,C40H66N2O8,,702.481917072,WFVNZHRELNLEFI,Polyketides,Linear polyketides,Open-chain polyketides,Lissoclinum bistratum,331871.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Didemnidae'],['Unknown'],['Lissoclinum'],['Lissoclinum bistratum'],1,0,2.1461539268493652 893,13329,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.557752,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,0,6.231008052825928 894,13328,-1,,,,0.57421374,ISDB,UVFJADXUWLERQA-LUWARDELSA-N,"InChI=1S/C34H54O8/c1-18(35)40-25-26(30(7)14-13-24(42-30)29(5,6)39)32(9)23(38)16-34-17-33(34)15-12-22(37)28(3,4)20(33)10-11-21(34)31(32,8)27(25)41-19(2)36/h20-27,37-39H,10-17H2,1-9H3/t20-,21-,22-,23+,24+,25+,26+,27-,30-,31+,32+,33+,34-/m0/s1",CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35C[C@@H](O)[C@]2(C)[C@H]1[C@]1(C)CC[C@H](C(C)(C)O)O1,C34H54O8,,590.3818686879999,UVFJADXUWLERQA,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],4,0,6.2968549728393555 895,13326,-1,,,,0.0,MS1_match,WSKGRAGZAQRSED-UFYCRDLUSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@@]21C,C20H30O,pos_2MH,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 896,13323,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4526423,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.310569167137146 897,13320,-1,,,,0.6056021,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],3,0,5.42240834236145 898,13309,277,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.51163805,ISDB,,,,,,,OTGBUAJCIKYSDL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0465521812438965 899,13307,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56067,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.742680072784424 900,13307,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56067,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.742680072784424 901,13307,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56067,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.742680072784424 902,13307,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56067,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.742680072784424 903,13307,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56067,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.742680072784424 904,13305,-1,,,,0.4514844,ISDB,DBCAVZSSFGIHQZ-UHFFFAOYSA-N,"InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3",CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1,C30H48O,,424.370516156,DBCAVZSSFGIHQZ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,9.805937647819519 905,13303,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.36064264,ISDB,FAXFZTXEUCHSOG-POPRNECSSA-N,"InChI=1S/C39H66O11/c1-21(14-24(4)35(43)44)10-11-28(41)17-29-18-30(42)27(7)39(47-29)26(6)19-37(9,50-39)32-12-13-36(8,48-32)34-23(3)16-31(46-34)33-22(2)15-25(5)38(45,20-40)49-33/h14,22-34,40-42,45H,10-13,15-20H2,1-9H3,(H,43,44)/b21-14+/t22-,23-,24+,25+,26+,27+,28+,29?,30+,31+,32+,33-,34+,36-,37-,38-,39+/m0/s1",C/C(=C\[C@@H](C)C(=O)O)CC[C@@H](O)CC1C[C@@H](O)[C@@H](C)[C@]2(O1)O[C@](C)([C@H]1CC[C@@](C)([C@@H]3O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)O1)C[C@H]2C,C39H66O11,,710.460512932,FAXFZTXEUCHSOG,Polyketides,Polyethers,Polyether ionophores,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.4425705671310425 906,13302,-1,,,,0.4933318,ISDB,SOJWLJKPIIODOH-QRVBRYPASA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,6.973327159881592 907,13300,-1,,,,0.22380805,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,5.895232200622559 908,13299,-1,,,,0.50298035,ISDB,GURROCUXXQHGSP-UHFFFAOYSA-N,"InChI=1S/C28H34O2/c1-6-9-19-12-14-24(29)21(17-19)22-18-20(10-7-2)13-15-25(22)30-26-23-11-8-16-28(26,5)27(23,3)4/h6-7,12-15,17-18,23,26,29H,1-2,8-11,16H2,3-5H3",C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC2C3CCCC2(C)C3(C)C)c1,C28H34O2,,402.255880328,GURROCUXXQHGSP,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],3,0,5.011921405792236 909,13297,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32235783,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.78943133354187 910,13297,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32235783,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.78943133354187 911,13296,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46454757,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.358190298080444 912,13296,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46454757,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.358190298080444 913,13296,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46454757,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.358190298080444 914,13296,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46454757,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.358190298080444 915,13296,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46454757,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.358190298080444 916,13295,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.36234885,ISDB,GFGIUMWRNMGCBW-WBBUHZHLSA-N,"InChI=1S/C36H56O9/c1-19(2)9-8-10-20(31(42)43)21-11-16-36(7)27-22(12-15-35(21,36)6)34(5)14-13-26(38)33(3,4)25(34)17-23(27)44-32-30(41)29(40)28(39)24(18-37)45-32/h9,20-21,23-25,28-30,32,37,39-41H,8,10-18H2,1-7H3,(H,42,43)/t20-,21-,23+,24-,25+,28-,29+,30-,32-,34-,35-,36+/m1/s1",CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C36H56O9,,632.392433372,GFGIUMWRNMGCBW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Laetiporus sulphureus,343979.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Fomitopsidaceae'],['Unknown'],['Laetiporus'],['Laetiporus sulphureus'],1,2,3.4493954181671143 917,13295,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.36234885,ISDB,GFGIUMWRNMGCBW-WBBUHZHLSA-N,"InChI=1S/C36H56O9/c1-19(2)9-8-10-20(31(42)43)21-11-16-36(7)27-22(12-15-35(21,36)6)34(5)14-13-26(38)33(3,4)25(34)17-23(27)44-32-30(41)29(40)28(39)24(18-37)45-32/h9,20-21,23-25,28-30,32,37,39-41H,8,10-18H2,1-7H3,(H,42,43)/t20-,21-,23+,24-,25+,28-,29+,30-,32-,34-,35-,36+/m1/s1",CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C36H56O9,,632.392433372,GFGIUMWRNMGCBW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Laetiporus versisporus,741212.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Dichomitus'],['Dichomitus squalens'],1,2,3.4493954181671143 918,13295,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.36234885,ISDB,GFGIUMWRNMGCBW-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-19(2)9-8-10-20(31(42)43)21-11-16-36(7)27-22(12-15-35(21,36)6)34(5)14-13-26(38)33(3,4)25(34)17-23(27)44-32-30(41)29(40)28(39)24(18-37)45-32/h9,20-21,23-25,28-30,32,37,39-41H,8,10-18H2,1-7H3,(H,42,43)",CC(C)=CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3OC1OC(CO)C(O)C(O)C1O,C36H56O9,,632.392433372,GFGIUMWRNMGCBW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Dichomitus squalens,741212.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Dichomitus'],['Dichomitus squalens'],1,2,3.4493954181671143 919,13294,-1,,,,0.2387863,ISDB,JAJRQLULKMSNOP-HGEKJXHYSA-N,"InChI=1S/C34H63NO9/c1-17(2)30-34(42)44-33(20(5)12-18(3)28(39)15-27(38)16-29(40)35-30)23(8)14-22(7)32(43-26(11)37)21(6)13-19(4)31(41)24(9)25(10)36/h17-25,27-28,30-33,36,38-39,41H,12-16H2,1-11H3,(H,35,40)/t18-,19+,20-,21-,22+,23+,24-,25-,27+,28+,30-,31+,32-,33-/m1/s1",CC(=O)O[C@H]([C@H](C)C[C@H](C)[C@H](O)[C@H](C)[C@@H](C)O)[C@@H](C)C[C@H](C)[C@@H]1OC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](O)C[C@H](O)[C@H](C)C[C@H]1C,C34H63NO9,,629.450282596,JAJRQLULKMSNOP,Amino acids and Peptides,Macrolides,Lactam bearing macrolide lactones,Thermomyces thermophilus,5310753.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium dupontii'],1,0,1.9551451802253723 920,13293,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.41925856,ISDB,MMWWBXILAPWVEK-SDCDWHJDSA-N,"InChI=1S/C34H54O9/c1-17(7-8-18(2)32(3,4)41)22-15-25(42-31-30(40)29(39)28(38)26(16-35)43-31)27-20-14-24(37)23-13-19(36)9-11-33(23,5)21(20)10-12-34(22,27)6/h7-8,14,17-19,21-23,25-31,35-36,38-41H,9-13,15-16H2,1-6H3/b8-7+/t17-,18+,19+,21+,22-,23-,25+,26-,27-,28-,29+,30-,31-,33-,34-/m1/s1",C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C34H54O9,,606.376783308,MMWWBXILAPWVEK,Terpenoids,Steroids,Ergostane steroids,Fomes fomentarius,518286.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Fomes'],['Fomes fomentarius'],1,1,3.1770342588424683 921,13292,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,LLECJKCNZWHQRD-WRNUKHMMSA-N,"InChI=1S/C39H58O4/c1-26(2)10-9-22-39(8,42)30-19-24-37(6)29(30)16-17-32-36(5)23-21-33(35(3,4)31(36)20-25-38(32,37)7)43-34(41)18-13-27-11-14-28(40)15-12-27/h10-15,18,29-33,40,42H,9,16-17,19-25H2,1-8H3/b18-13+/t29-,30+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O4,pos_2MMg,590.433510336,LLECJKCNZWHQRD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 922,13291,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_minus1proton1magnesium,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 923,13291,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_minus1proton1magnesium,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 924,13289,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.4506235,ISDB,DNOLGGAOXNIEOS-FGIHMKTLSA-N,"InChI=1S/C49H78O15/c1-25(2)26(3)19-39(51)62-38-24-37-46(8)16-14-32(20-31(46)13-17-48(37,53)49(54)18-15-33(27(4)50)47(38,49)9)61-40-22-35(56-11)44(29(6)59-40)64-42-23-36(57-12)45(30(7)60-42)63-41-21-34(55-10)43(52)28(5)58-41/h13,19,25,28-30,32-38,40-45,52-54H,14-18,20-24H2,1-12H3/b26-19+/t28-,29-,30-,32+,33-,34-,35+,36+,37-,38-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49-/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@@H](C(C)=O)CC[C@@]34O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1,C49H78O15,,906.534071796,DNOLGGAOXNIEOS,Terpenoids,Steroids,Pregnane steroids,Orthosia guilleminiana,727549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum caudatum'],3,0,4.802494049072266 925,13289,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.4506235,ISDB,DNOLGGAOXNIEOS-FGIHMKTLSA-N,"InChI=1S/C49H78O15/c1-25(2)26(3)19-39(51)62-38-24-37-46(8)16-14-32(20-31(46)13-17-48(37,53)49(54)18-15-33(27(4)50)47(38,49)9)61-40-22-35(56-11)44(29(6)59-40)64-42-23-36(57-12)45(30(7)60-42)63-41-21-34(55-10)43(52)28(5)58-41/h13,19,25,28-30,32-38,40-45,52-54H,14-18,20-24H2,1-12H3/b26-19+/t28-,29-,30-,32+,33-,34-,35+,36+,37-,38-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49-/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@@H](C(C)=O)CC[C@@]34O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1,C49H78O15,,906.534071796,DNOLGGAOXNIEOS,Terpenoids,Steroids,Pregnane steroids,Cynanchum boudieri,727538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum boudieri'],3,0,4.802494049072266 926,13289,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.4506235,ISDB,DNOLGGAOXNIEOS-FGIHMKTLSA-N,"InChI=1S/C49H78O15/c1-25(2)26(3)19-39(51)62-38-24-37-46(8)16-14-32(20-31(46)13-17-48(37,53)49(54)18-15-33(27(4)50)47(38,49)9)61-40-22-35(56-11)44(29(6)59-40)64-42-23-36(57-12)45(30(7)60-42)63-41-21-34(55-10)43(52)28(5)58-41/h13,19,25,28-30,32-38,40-45,52-54H,14-18,20-24H2,1-12H3/b26-19+/t28-,29-,30-,32+,33-,34-,35+,36+,37-,38-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49-/m1/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@@H](C(C)=O)CC[C@@]34O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1,C49H78O15,,906.534071796,DNOLGGAOXNIEOS,Terpenoids,Steroids,Pregnane steroids,Cynanchum caudatum,727549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum caudatum'],3,0,4.802494049072266 927,13287,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.24408144,ISDB,HVFRQLAWDLEDRL-GJPJLVQDSA-N,"InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3/b24-21-/t33-,35+,36+/m0/s1",CCCCCCCCCCCC/C=C\CC[C@@H](O)[C@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O,C37H68O4,,576.511760656,HVFRQLAWDLEDRL,Polyketides,Linear polyketides,Acetogenins,Annona muricata,303957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona muricata'],3,0,3.976325750350952 928,13287,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.24408144,ISDB,HVFRQLAWDLEDRL-UHFFFAOYSA-N,"InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3",CCCCCCCCCCCCC=CCCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O,C37H68O4,,576.511760656,HVFRQLAWDLEDRL,Polyketides,Linear polyketides,Acetogenins,Annona nutans,3868425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona nutans'],3,0,3.976325750350952 929,13286,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5692859,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.777143716812134 930,13279,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.53270197,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.630807876586914 931,13276,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48055163,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.42220652103424 932,13276,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48055163,ISDB,BBPXZLJCPUPNGH-UHFFFAOYSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3",CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies grandis,343179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies grandis'],6,3,9.42220652103424 933,13275,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.48360735,ISDB,MNXGYEJYONFZKY-LFOKCNBKSA-N,"InChI=1S/C38H60O10/c1-8-46-28-26(40)27(41)31(48-29(28)30(42)43)47-25-12-13-34(4)23(35(25,5)20-39)11-14-37(7)24(34)10-9-21-22-19-33(2,3)15-17-38(22,32(44)45)18-16-36(21,37)6/h9,22-29,31,39-41H,8,10-20H2,1-7H3,(H,42,43)(H,44,45)/t22-,23+,24+,25-,26+,27+,28-,29-,31?,34-,35-,36+,37+,38-/m0/s1",CCO[C@H]1[C@H](O)[C@@H](O)C(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)O[C@@H]1C(=O)O,C38H60O10,,676.41864812,MNXGYEJYONFZKY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Atriplex nummularia,892383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Atriplex'],['Atriplex nummularia'],4,3,7.434429407119751 934,13273,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.35264072,ISDB,MHHKIPCFWIQCPN-HHHXNRCGSA-N,"InChI=1S/C29H58N4O2/c1-5-17-28(34)19-12-10-8-6-7-9-11-18-27-26-29(35)30-20-15-23-31(2)21-13-14-22-32(3)24-16-25-33(27)4/h27H,5-26H2,1-4H3,(H,30,35)/t27-/m1/s1",CCCC(=O)CCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C,C29H58N4O2,,494.455977096,MHHKIPCFWIQCPN,Alkaloids,Ornithine alkaloids,Polyamines,Albizia amara,703120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia amara'],3,0,4.410562872886658 935,13271,-1,,,,0.28693327,ISDB,UBBKTKSNNRMAPA-GPGPQOAVSA-N,"InChI=1S/C21H32/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11-12,14-16,20H,5,7,9-10,13H2,1-4,6H3/b17-8+/t20-/m0/s1",C=C(CC/C(C)=C/CC[C@H](C)c1ccc(C)cc1)C(C)C,C21H32,,284.250401024,UBBKTKSNNRMAPA,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,4.147733092308044 936,13271,-1,,,,0.28693327,ISDB,UBBKTKSNNRMAPA-GPGPQOAVSA-N,"InChI=1S/C21H32/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11-12,14-16,20H,5,7,9-10,13H2,1-4,6H3/b17-8+/t20-/m0/s1",C=C(CC/C(C)=C/CC[C@H](C)c1ccc(C)cc1)C(C)C,C21H32,,284.250401024,UBBKTKSNNRMAPA,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,4.147733092308044 937,13270,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.57134396,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.7853758335113525 938,13270,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.57134396,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.7853758335113525 939,13269,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.53781116,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.651244640350342 940,13268,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.30938515,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.737540602684021 941,13268,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.30938515,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.737540602684021 942,13265,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.54249454,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.669978141784668 943,13262,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35204315,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.908172607421875 944,13261,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.32677442,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.807097673416138 945,13259,1703,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43869385,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.254775404930115 946,13257,2467,Terpenoids,Diterpenoids,Abietane diterpenoids,0.58515793,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.84063172340393 947,13255,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5131616,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.552646398544312 948,13255,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5131616,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.552646398544312 949,13249,1253,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.74952066,ISDB,QVOWLQGIVUTHGK-ZAFXZDQFSA-N,"InChI=1S/C37H58N6O6/c1-21(2)17-26-32(44)38-28(19-23(5)6)34(46)42-31(24(7)8)36(48)40-27(18-22(3)4)33(45)41-29(20-25-13-10-9-11-14-25)37(49)43-16-12-15-30(43)35(47)39-26/h9-11,13-14,21-24,26-31H,12,15-20H2,1-8H3,(H,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t26-,27-,28+,29+,30-,31-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O,C37H58N6O6,,682.441783576,QVOWLQGIVUTHGK,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,4.498082637786865 950,13247,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6719503,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6878011226654053 951,13246,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.2903077,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Euchresta formosana,280933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Euchresta'],['Euchresta formosana'],6,3,8.66123080253601 952,13243,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.32474604,ISDB,SETAHMHKFJAXAK-UHFFFAOYSA-N,"InChI=1S/C36H68O7/c1-3-4-5-6-7-8-9-10-11-12-13-15-21-32(38)25-26-35(41)34(40)24-19-18-22-31(37)20-16-14-17-23-33(39)28-30-27-29(2)43-36(30)42/h27,29,31-35,37-41H,3-26,28H2,1-2H3",CCCCCCCCCCCCCCC(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O,C36H68O7,,612.496504516,SETAHMHKFJAXAK,Polyketides,Linear polyketides,Acetogenins,Annona muricata,303957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona muricata'],3,0,4.298984169960022 953,13241,3462,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.53055817,ISDB,ASBMNUFORNXXBM-VXEUVAGVSA-N,"InChI=1S/C31H50O4/c1-19(9-8-10-20(2)26(33)34)21-17-24(32)29(6)23-12-11-22-27(3,4)25(35-7)13-14-30(22)18-31(23,30)16-15-28(21,29)5/h10,19,21-25,32H,8-9,11-18H2,1-7H3,(H,33,34)/b20-10+/t19-,21-,22+,23+,24-,25-,28-,29-,30-,31+/m1/s1",CO[C@@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@@H](O)[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C31H50O4,,486.37091007999993,ASBMNUFORNXXBM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,2,8.122232675552368 954,13240,3462,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.55809027,ISDB,GSMKRYRKJKZDGY-XLAVOZOWSA-N,"InChI=1S/C29H46O2/c1-25(2)13-10-18-19(16-25)20-8-9-23-27(5)14-12-24(31)26(3,4)22(27)11-15-28(23,6)29(20,7)17-21(18)30/h8,18-19,22-24,31H,9-17H2,1-7H3/t18-,19+,22-,23+,24-,27-,28+,29+/m0/s1",CC1(C)CC[C@@H]2C(=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C29H46O2,,426.349780712,GSMKRYRKJKZDGY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Marah macrocarpa,1066437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Marah'],['Marah macrocarpa'],3,3,6.732361078262329 955,13240,3462,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.55809027,ISDB,GSMKRYRKJKZDGY-UHFFFAOYSA-N,"InChI=1S/C29H46O2/c1-25(2)13-10-18-19(16-25)20-8-9-23-27(5)14-12-24(31)26(3,4)22(27)11-15-28(23,6)29(20,7)17-21(18)30/h8,18-19,22-24,31H,9-17H2,1-7H3",CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C29H46O2,,426.349780712,GSMKRYRKJKZDGY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Nannoglottis carpesioides,633777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nannoglottis'],['Nannoglottis carpesioides'],3,3,6.732361078262329 956,13239,-1,,,,0.21474761,ISDB,KTFYMYMEYFLCIS-UHFFFAOYSA-N,"InChI=1S/C43H70O14/c1-38(2)14-16-43(37(52)53-7)17-15-41(5)22(23(43)18-38)8-9-27-39(3)12-11-28(40(4,21-46)26(39)10-13-42(27,41)6)56-36-34(32(50)30(48)25(20-45)55-36)57-35-33(51)31(49)29(47)24(19-44)54-35/h8,23-36,44-51H,9-21H2,1-7H3",COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(CO)C4CCC3(C)C1(C)CC2,C43H70O14,,810.47655692,KTFYMYMEYFLCIS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hedera taurica,6054793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera taurica'],3,0,3.858990430831909 957,13237,-1,,,,0.3911265,ISDB,,,,,,,HJYBICCSZCEBOO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5645060539245605 958,13235,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton1isopropanol,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,3,8.5 959,13234,910,Terpenoids,Steroids,Androstane steroids,0.7075143,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.330057144165039 960,13232,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.22475989,ISDB,JSCZUPSIMWRJHP-KQQJSZDRSA-N,"InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,36-37H,3-13,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-,18-17-/t36-,37+/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O,C40H74NO10P,,759.505034198,JSCZUPSIMWRJHP,Fatty acids,Glycerophospholipids,Glycerophosphoserines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,0,1.8990395665168762 961,13232,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.22475989,ISDB,JSCZUPSIMWRJHP-KQQJSZDRSA-N,"InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,36-37H,3-13,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b16-14-,18-17-/t36-,37+/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O,C40H74NO10P,,759.505034198,JSCZUPSIMWRJHP,Fatty acids,Glycerophospholipids,Glycerophosphoserines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,0,1.8990395665168762 962,13230,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.3296033,ISDB,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,9.818413257598877 963,13229,347,Terpenoids,Triterpenoids,Cholestane steroids,0.520912,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,11.083647966384888 964,13228,2603,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.39926815,ISDB,WISSQECJGFKWLU-OWVCEBFMSA-N,"InChI=1S/C31H48O2/c1-20(2)18-22(33-9)19-21(3)23-12-16-31(8)25-10-11-26-28(4,5)27(32)14-15-29(26,6)24(25)13-17-30(23,31)7/h10,13,18,21-23,26H,11-12,14-17,19H2,1-9H3/t21-,22+,23-,26-,29+,30-,31+/m0/s1",CO[C@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C,C31H48O2,,452.365430776,WISSQECJGFKWLU,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus walteri,505082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus walteri'],4,3,7.097072601318359 965,13226,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36572427,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.962897062301636 966,13221,-1,,,,0.26656172,ISDB,SAISBEBEOIHPOB-UHFFFAOYSA-N,"InChI=1S/C46H64O7/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(48)26-45(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)40(49)36(27-46(38,9)10)44-43(52)42(51)41(50)39(28-47)53-44/h11-24,35-36,39,41-44,47-48,50-52H,25-28H2,1-10H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(C2OC(CO)C(O)C(O)C2O)CC1(C)C,C46H64O7,,728.465204388,SAISBEBEOIHPOB,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Agrobacterium aurantiacum,606170.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhizobiales'],['Rhizobiaceae'],['Unknown'],['Rhizobium'],['Agrobacterium aurantiacum'],0,0,1.0662468671798706 967,13210,1120,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3071284,ISDB,LUKBYRDPGHEQLQ-IJZVGTJISA-N,"InChI=1S/C33H52O3/c1-26(2)15-17-32-18-16-31(8)30(7)13-9-22-28(5,12-11-25-29(22,6)20-34-27(3,4)36-25)23(30)10-14-33(31,35-21-32)24(32)19-26/h10,14,22-25H,9,11-13,15-21H2,1-8H3/t22-,23-,24-,25+,28+,29+,30-,31+,32-,33+/m1/s1",CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@@H]7OC(C)(C)OC[C@@]7(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1,C33H52O3,,496.391645524,LUKBYRDPGHEQLQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Buddleja asiatica,55258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja asiatica'],4,1,5.728513598442078 968,13209,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.55874914,ISDB,FFYYBJYOGKIPMJ-MATOHKANSA-N,"InChI=1S/C40H64O12/c1-35(2)13-15-40(34(47)48)16-14-38(5)21(22(40)17-35)7-8-26-36(3)11-10-27-37(4,25(36)9-12-39(26,38)6)20-50-33(51-27)31(29(45)23(42)18-41)52-32-30(46)28(44)24(43)19-49-32/h7,22-33,41-46H,8-20H2,1-6H3,(H,47,48)/t22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,36-,37-,38+,39+,40-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H]6O[C@H]([C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H](O)CO)OC[C@@]6(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C40H64O12,,736.439777488,FFYYBJYOGKIPMJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Anemoclema glaucifolium,274594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Anemoclema'],['Anemoclema glaucifolium'],4,3,7.734996557235718 969,13208,62,Terpenoids,Triterpenoids,Lipopeptides,0.0,MS1_match,OENHQHLEOONYIE-UKMVMLAPSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14?,27-25+,28-26?,31-17+,32-18?,33-21+,34-22?",CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2MCa,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Triumfetta cordifolia,3942794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Triumfetta'],['Triumfetta cordifolia'],6,1,6.5 970,13208,62,Terpenoids,Triterpenoids,Lipopeptides,0.0,MS1_match,OENHQHLEOONYIE-UKMVMLAPSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14?,27-25+,28-26?,31-17+,32-18?,33-21+,34-22?",CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2MCa,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,1,6.5 971,13208,62,Terpenoids,Triterpenoids,Lipopeptides,0.0,MS1_match,OENHQHLEOONYIE-BVZAMQQESA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+",CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2MCa,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Abelmoschus esculentus,514975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abelmoschus'],['Abelmoschus esculentus'],6,1,6.5 972,13208,62,Terpenoids,Triterpenoids,Lipopeptides,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2MCa,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,1,6.5 973,13208,62,Terpenoids,Triterpenoids,Lipopeptides,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2MCa,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Abelmoschus esculentus,514975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abelmoschus'],['Abelmoschus esculentus'],6,1,6.5 974,13208,62,Terpenoids,Triterpenoids,Lipopeptides,0.0,MS1_match,HRQKOYFGHJYEFS-UHFFFAOYSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,C40H56,pos_2MCa,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,1,6.5 975,13207,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.69140375,ISDB,LOMTYKPMRTVCDA-HMFQNBGVSA-N,"InChI=1S/C32H52O5/c1-19(33)36-24-11-12-28(6)20(27(24,4)5)9-13-29(7)21(28)10-14-32-22-17-26(2,3)15-16-31(22,25(35)37-32)23(34)18-30(29,32)8/h20-25,34-35H,9-18H2,1-8H3/t20-,21+,22+,23+,24-,25-,28-,29+,30-,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]45O[C@H](O)[C@@]6(CCC(C)(C)C[C@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O5,,516.3814747639999,LOMTYKPMRTVCDA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Embelia schimperi,6052087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Embelia'],['Embelia schimperi'],4,2,7.765614986419678 976,13206,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1proton,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 977,13203,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7510985,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.004394054412842 978,13202,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59046,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],7,3,10.861840009689331 979,13201,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44870335,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.294813394546509 980,13200,-1,,,,0.25707865,ISDB,,,,,,,DSDFNBMJLLQOEQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0283145904541016 981,13199,124,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.21663922,ISDB,,,,,,,VJVDYBXGAPKGPU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8665568828582764 982,13198,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.41632304,ISDB,BIXCWCVYGIQELL-QURGRASLSA-N,"InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+",CCCCCCCCCCCCCC(=O)OC(/C=C/C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCN(C)C1=O,C32H58N2O7,,582.424402196,BIXCWCVYGIQELL,Amino acids and Peptides,Oligopeptides,Lipopeptides,Rhabdastrella globostellata,583165.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Rhabdastrella'],['Rhabdastrella globostellata'],1,0,2.6652921438217163 983,13197,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,NIKHGUQULKYIGE-OTCXFQBHSA-N,"InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1",C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3,C20H30O2,pos_1_1proton1methanol,302.2245802,NIKHGUQULKYIGE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,2,9.0 984,13197,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,TVHDZSRRHQKNEZ-MGFONVBGSA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14-,16-,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1,C20H30O2,pos_1_1proton1methanol,302.2245802,TVHDZSRRHQKNEZ,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,2,9.0 985,13192,-1,,,,0.21717922,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,0,5.868716895580292 986,13191,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.5978567,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.8914268016815186 987,13188,1247,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.3420784,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.868313550949097 988,13185,71,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.26435798,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.057431936264038 989,13183,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.25864398,ISDB,LZUMFOJNPXMVHE-FOAIJFERSA-N,"InChI=1S/C45H66O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-28,33-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,C45H66O10,,766.4655983119999,LZUMFOJNPXMVHE,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,3,3.534575939178467 990,13179,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.2477672,ISDB,,,,,,,RVUNDWWSZGAGOS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9910687804222107 991,13177,136,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.23190868,ISDB,,,,,,,IISLWUBHWDMCSU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9276347160339355 992,13175,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6041464,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.916585683822632 993,13173,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47551692,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.4020676612854 994,13173,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47551692,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.4020676612854 995,13173,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47551692,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.4020676612854 996,13173,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47551692,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.4020676612854 997,13172,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,MNUNUJQYFJZRHQ-VZLLCJDWSA-N,"InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O6,pos_1_1proton1dmso,618.392039448,MNUNUJQYFJZRHQ,Terpenoids,Triterpenoids,Lupane triterpenoids,Pyracantha crenulata,944497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha crenulata'],6,1,6.5 998,13172,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,YZDQDCHESVQFNC-PQBXVMOBSA-N,"InChI=1S/C39H54O6/c1-23-12-17-39(34(43)44)19-18-37(6)28(33(39)24(23)2)9-10-30-36(5)15-14-31(35(3,4)29(36)13-16-38(30,37)7)45-32(42)11-8-25-20-26(40)22-27(41)21-25/h8-9,11,20-24,29-31,33,40-41H,10,12-19H2,1-7H3,(H,43,44)/b11-8+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6cc(O)cc(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H54O6,pos_1_1proton1dmso,618.392039448,YZDQDCHESVQFNC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,1,6.5 999,13167,-1,,,,0.47767106,ISDB,,,,,,,OTGBUAJCIKYSDL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9106842279434204 1000,13161,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.73197335,ISDB,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.42789340019226 1001,13161,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.73197335,ISDB,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.42789340019226 1002,13160,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5788298,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.315319299697876 1003,13159,648,Terpenoids,Triterpenoids,Pimarane and Isopimarane diterpenoids,0.0,MS1_match,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,pos_2MH,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],7,3,8.5 1004,13159,648,Terpenoids,Triterpenoids,Pimarane and Isopimarane diterpenoids,0.0,MS1_match,MHVJRKBZMUDEEV-APQLOABGSA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,pos_2MH,302.2245802,MHVJRKBZMUDEEV,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],7,3,8.5 1005,13158,648,Terpenoids,Triterpenoids,Pimarane and Isopimarane diterpenoids,0.3359441,ISDB,BXSJJYBMAUOEPV-FURBGDIMSA-N,"InChI=1S/C39H58O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-13,28-32,34H,1,14-25H2,2-8H3/t28-,29+,30-,31+,32-,34-,36+,37-,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H58O2,,558.443681096,BXSJJYBMAUOEPV,Terpenoids,Triterpenoids,Lupane triterpenoids,Himatanthus articulatus,6067897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Himatanthus'],['Himatanthus articulatus'],3,2,5.343776345252991 1006,13158,648,Terpenoids,Triterpenoids,Pimarane and Isopimarane diterpenoids,0.3359441,ISDB,BXSJJYBMAUOEPV-FURBGDIMSA-N,"InChI=1S/C39H58O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-13,28-32,34H,1,14-25H2,2-8H3/t28-,29+,30-,31+,32-,34-,36+,37-,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H58O2,,558.443681096,BXSJJYBMAUOEPV,Terpenoids,Triterpenoids,Lupane triterpenoids,Himatanthus sucuuba,6067905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Himatanthus'],['Himatanthus sucuuba'],3,2,5.343776345252991 1007,13158,648,Terpenoids,Triterpenoids,Pimarane and Isopimarane diterpenoids,0.3359441,ISDB,BXSJJYBMAUOEPV-HBHILWERSA-N,"InChI=1S/C39H58O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-13,28-32,34H,1,14-25H2,2-8H3/t28-,29+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H58O2,,558.443681096,BXSJJYBMAUOEPV,Terpenoids,Triterpenoids,Lupane triterpenoids,Cnidoscolus vitifolius,3914555.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Manihoteae'],['Cnidoscolus'],['Cnidoscolus vitifolius'],3,2,5.343776345252991 1008,13157,-1,,,,0.7160815,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.864326000213623 1009,13156,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.404912,ISDB,VYHGOPCUTZUFCP-NMWIZVJZSA-N,"InChI=1S/C38H64O10/c1-20(40)45-30-29(43)28(42)24(19-39)46-32(30)47-26-12-14-35(6)25(33(26,2)3)11-16-37(8)31(35)23(41)18-22-21(10-15-36(22,37)7)38(9)17-13-27(48-38)34(4,5)44/h21-32,39,41-44H,10-19H2,1-9H3/t21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31+,32-,35-,36+,37+,38-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3[C@H](O)C[C@@H]3[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]34C)C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O,C38H64O10,,680.449948248,VYHGOPCUTZUFCP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,9.619647979736328 1010,13151,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.46531397,ISDB,NCVHJBCXBZFWRS-BGKZYWRXSA-N,"InChI=1S/C38H60O10/c1-18(2)21-13-23-31-37(8)10-9-20-27(36(37,7)11-12-38(21,31)17-45-23)22(41)14-26-34(4,5)32(24(46-19(3)40)15-35(20,26)6)48-33-30(44)29(43)28(42)25(16-39)47-33/h9,18,21-33,39,41-44H,10-17H2,1-8H3/t21-,22-,23-,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,35+,36-,37+,38+/m0/s1",CC(=O)O[C@@H]1C[C@]2(C)C3=CC[C@]4(C)[C@H]5[C@@H]6C[C@@H](C(C)C)[C@@]5(CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@H]2C(C)(C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO6,C38H60O10,,676.4186481199998,NCVHJBCXBZFWRS,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Rubia yunnanensis,3872639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Rubia'],['Rubia yunnanensis'],4,2,6.861255884170532 1011,13146,-1,,,,0.0,MS1_match,XWYZKKJZCDAJKC-UHEMTBOBSA-N,"InChI=1S/C29H46O6/c1-25-11-10-22(33)26(2,14-30)21(25)12-23(34)29(5)20(25)9-8-17-24-16(19(32)13-27(17,29)3)6-7-18(24)28(4,35)15-31/h16-18,20-21,23-24,30-31,34-35H,6-15H2,1-5H3/t16-,17+,18+,20+,21+,23-,24-,25+,26-,27+,28-,29-/m0/s1",C[C@]12CCC(=O)[C@@](C)(CO)[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@](C)(O)CO)CC[C@H]3C(=O)C[C@]21C,C29H46O6,pos_1_1proton1isopropanol,490.329439192,XWYZKKJZCDAJKC,Terpenoids,Triterpenoids,,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 1012,13145,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.46037102,ISDB,GBFIJKLUNHORPH-MTTSUKFNSA-N,"InChI=1S/C30H52O6/c1-17(8-9-18(2)27(4,5)36-19(3)31)22-10-11-23-21-15-26(34)30(35)16-20(32)14-25(33)29(30,7)24(21)12-13-28(22,23)6/h17-18,20-26,32-35H,8-16H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,26-,28-,29+,30+/m1/s1",CC(=O)OC(C)(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C,C30H52O6,,508.3763893839999,GBFIJKLUNHORPH,Terpenoids,Steroids,Cholestane steroids,Sarcophyton glaucum,475463.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sarcophyton'],['Sarcophyton glaucum'],1,1,3.3414840698242188 1013,13145,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.46037102,ISDB,GBFIJKLUNHORPH-MTTSUKFNSA-N,"InChI=1S/C30H52O6/c1-17(8-9-18(2)27(4,5)36-19(3)31)22-10-11-23-21-15-26(34)30(35)16-20(32)14-25(33)29(30,7)24(21)12-13-28(22,23)6/h17-18,20-26,32-35H,8-16H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,26-,28-,29+,30+/m1/s1",CC(=O)OC(C)(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C,C30H52O6,,508.3763893839999,GBFIJKLUNHORPH,Terpenoids,Steroids,Cholestane steroids,Sarcophyton elegans,606349.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sarcophyton'],['Sarcophyton elegans'],1,1,3.3414840698242188 1014,13144,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YWJGYBXHXATAQY-BOTWUFHUSA-N,"InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24+,25+,26-,29-,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@H]54)[C@]3(C)CC[C@H]2C1(C)C,C32H52O2,pos_1_minus1proton1magnesium,468.396730904,YWJGYBXHXATAQY,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],7,2,8.0 1015,13144,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ODSSDTBFHAYYMD-YOJQYFTNSA-N,"InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H52O2,pos_1_minus1proton1magnesium,468.396730904,ODSSDTBFHAYYMD,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,8.0 1016,13144,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UMRPOGLIBDXFNK-ZYGITSNFSA-N,"InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O2,pos_1_minus1proton1magnesium,468.396730904,UMRPOGLIBDXFNK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,8.0 1017,13144,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ODSSDTBFHAYYMD-YOJQYFTNSA-N,"InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H52O2,pos_1_minus1proton1magnesium,468.396730904,ODSSDTBFHAYYMD,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,8.0 1018,13143,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-HUOCPXEISA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,24+,25-,26-,27+/m1/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H44O3,pos_1_1proton1methanol,416.3290452679999,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1019,13143,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3",CC1(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CCC(=O)O1,C27H44O3,pos_1_1proton1methanol,416.329045268,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1020,13143,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-HUOCPXEISA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,24+,25-,26-,27+/m1/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H44O3,pos_1_1proton1methanol,416.3290452679999,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1021,13143,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3",CC1(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CCC(=O)O1,C27H44O3,pos_1_1proton1methanol,416.329045268,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1022,13142,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.55272615,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,2,7.210904598236084 1023,13141,-1,,,,0.84125596,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.365023851394653 1024,13139,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.21850272,ISDB,VWXMLZQUDPCJPL-ZDHAIZATSA-N,"InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-",CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C,C40H50O2,,562.38108084,VWXMLZQUDPCJPL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,9.374010860919952 1025,13139,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.21850272,ISDB,VWXMLZQUDPCJPL-ZDHAIZATSA-N,"InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-",CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C,C40H50O2,,562.38108084,VWXMLZQUDPCJPL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,9.374010860919952 1026,13138,838,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4499513,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,9.299805164337158 1027,13137,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.49245012,ISDB,DKCTUWGBNPXOKV-FNJLGOJISA-N,"InChI=1S/C52H80O15/c1-30-24-41(65-52(27-30)43(55)13-12-37(64-52)28-49(7,58)48(57)60-29-31(2)25-42-38(53)17-23-59-42)32(3)10-11-36-15-20-51(63-36)21-16-40-47(67-51)44(56)35(6)46(62-40)39(54)26-34(5)45-33(4)14-19-50(66-45)18-8-9-22-61-50/h10-11,25,27,32-34,36-47,53-56,58H,6,8-9,12-24,26,28-29H2,1-5,7H3/b11-10+,31-25+/t32-,33-,34+,36+,37+,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,49-,50+,51-,52-/m1/s1",C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)OC/C(C)=C/[C@@H]6OCC[C@H]6O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C,C52H80O15,,944.54972186,DKCTUWGBNPXOKV,Polyketides,Polyethers,Polyether ionophores,Prorocentrum lima,5986377.0,['Eukaryota'],['Unknown'],['Ciliophora'],['Colpodea'],['Cyrtolophosidida'],['Unknown'],['Unknown'],['Aristerostoma'],['Prorocentrum lima'],1,0,2.9698004722595215 1028,13137,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.49245012,ISDB,DKCTUWGBNPXOKV-FNJLGOJISA-N,"InChI=1S/C52H80O15/c1-30-24-41(65-52(27-30)43(55)13-12-37(64-52)28-49(7,58)48(57)60-29-31(2)25-42-38(53)17-23-59-42)32(3)10-11-36-15-20-51(63-36)21-16-40-47(67-51)44(56)35(6)46(62-40)39(54)26-34(5)45-33(4)14-19-50(66-45)18-8-9-22-61-50/h10-11,25,27,32-34,36-47,53-56,58H,6,8-9,12-24,26,28-29H2,1-5,7H3/b11-10+,31-25+/t32-,33-,34+,36+,37+,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,49-,50+,51-,52-/m1/s1",C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)OC/C(C)=C/[C@@H]6OCC[C@H]6O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C,C52H80O15,,944.54972186,DKCTUWGBNPXOKV,Polyketides,Polyethers,Polyether ionophores,Conticribra weissflogii,932038.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Mediophyceae'],['Unknown'],['Unknown'],['Unknown'],['Thalassiosira'],['Unknown'],1,0,2.9698004722595215 1029,13133,585,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.36364368,ISDB,GLVOJAKOZRRBTG-AAABUZGTSA-N,"InChI=1S/C42H66O10/c1-13-25(6)35(45)38(47)52-32-20-31(39(7,8)48)40(9,17-16-33(43)49-12)36-29(51-37(46)34(44)24(4)5)21-41(10)28(14-15-30(41)42(32,36)11)26-19-27(50-22-26)18-23(2)3/h13,15,18,24,26-29,31-32,34-36,44-45,48H,14,16-17,19-22H2,1-12H3/b25-13+/t26-,27-,28+,29-,31+,32-,34-,35-,36-,40+,41+,42-/m1/s1",C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2[C@H](OC(=O)[C@H](O)C(C)C)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@@]21C,C42H66O10,,730.465598312,GLVOJAKOZRRBTG,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aglaia argentea,627552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia argentea'],4,3,6.954574704170227 1030,13131,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6728145,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.691257953643799 1031,13130,-1,,,,0.0,MS1_match,FPAKQFMQMIPGBZ-SQOFDNHTSA-N,"InChI=1S/C36H58O7/c1-20(2)10-9-11-21(3)22-14-18-36(8)24-12-13-25-33(4,5)26(16-17-34(25,6)23(24)15-19-35(22,36)7)42-32-29(39)27(37)28(38)30(43-32)31(40)41/h10,13,21-24,26-30,32,37-39H,9,11-12,14-19H2,1-8H3,(H,40,41)/t21-,22-,23+,24-,26+,27+,28+,29-,30+,32-,34-,35-,36+/m1/s1",CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C36H58O7,pos_1_1proton1isopropanol,602.418254196,FPAKQFMQMIPGBZ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 1032,13127,-1,,,,0.7194454,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,10.877781629562378 1033,13126,1425,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,0.7793477,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.617390871047974 1034,13122,-1,,,,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_1proton1methanol,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Tsuga canadensis,117276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga canadensis'],7,0,7.0 1035,13122,-1,,,,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_1proton1methanol,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Tsuga canadensis,117276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga canadensis'],7,0,7.0 1036,13122,-1,,,,0.0,MS1_match,BZNIIOGSANMIET-MZWAYPSQSA-N,"InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20-,21+,22-,23-,24?,27-,28+,29+,30+/m0/s1",CC1(C)CC[C@]23CC[C@]4(C)C(CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2C1OC3,C30H50O2,pos_1_1proton1methanol,442.38108084,BZNIIOGSANMIET,Terpenoids,Triterpenoids,Lupane triterpenoids,Tsuga canadensis,117276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga canadensis'],7,0,7.0 1037,13121,-1,,,,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_1_1proton2acetonitrile,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,0,6.0 1038,13121,-1,,,,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_1_1proton2acetonitrile,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,0,6.0 1039,13121,-1,,,,0.0,MS1_match,LYJUZZNOXNVGPX-JCCHURMHSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29-,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_1_1proton2acetonitrile,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,0,6.0 1040,13121,-1,,,,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_1_1proton2acetonitrile,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,0,6.0 1041,13121,-1,,,,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_1_1proton2acetonitrile,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,0,6.0 1042,13121,-1,,,,0.0,MS1_match,UQAZIPIFDVMYDE-KDHKCOGYSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29-,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_1_1proton2acetonitrile,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,0,6.0 1043,13118,645,Terpenoids,Steroids,Ergostane steroids,0.36517268,ISDB,NLNNWFCVCWSYSK-DCHSITBXSA-N,"InChI=1S/C35H58O10/c1-16(27(40)31(17(2)33(3,4)5)45-32-30(43)29(42)28(41)26(15-36)44-32)19-8-9-20-18-12-23(37)22-13-24(38)25(39)14-35(22,7)21(18)10-11-34(19,20)6/h16,18-22,24-32,36,38-43H,2,8-15H2,1,3-7H3/t16-,18-,19+,20+,21+,22+,24-,25+,26+,27+,28+,29-,30-,31+,32-,34+,35+/m0/s1",C=C([C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C)C(C)(C)C,C35H58O10,,638.402998056,NLNNWFCVCWSYSK,Terpenoids,Steroids,Ergostane steroids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,6.96069073677063 1044,13116,1894,Terpenoids,Diterpenoids,Pregnane steroids,0.70129204,ISDB,QDWARQARJPJBNM-MZHFMOSXSA-N,"InChI=1S/C30H50N2O4/c1-9-17(2)28(35)31-26-25(34)16-30(6)23-14-15-29(5)21(18(3)32(7)8)12-13-22(29)20(23)10-11-24(30)27(26)36-19(4)33/h9,18,20-27,34H,10-16H2,1-8H3,(H,31,35)/b17-9+/t18-,20-,21+,22-,23-,24-,25-,26-,27+,29+,30+/m0/s1",C/C=C(\C)C(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C30H50N2O4,,502.37705808,QDWARQARJPJBNM,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],3,3,7.305168151855469 1045,13116,1894,Terpenoids,Diterpenoids,Pregnane steroids,0.70129204,ISDB,QDWARQARJPJBNM-MZHFMOSXSA-N,"InChI=1S/C30H50N2O4/c1-9-17(2)28(35)31-26-25(34)16-30(6)23-14-15-29(5)21(18(3)32(7)8)12-13-22(29)20(23)10-11-24(30)27(26)36-19(4)33/h9,18,20-27,34H,10-16H2,1-8H3,(H,31,35)/b17-9+/t18-,20-,21+,22-,23-,24-,25-,26-,27+,29+,30+/m0/s1",C/C=C(\C)C(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C30H50N2O4,,502.37705808,QDWARQARJPJBNM,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],3,3,7.305168151855469 1046,13112,-1,,,,0.45115486,ISDB,LJFBYGPHKHZLQD-UHFFFAOYSA-N,"InChI=1S/C23H30O4/c1-14(2)8-7-12-23(6)13-11-18-20(24)19(22(25)26)16(5)17(21(18)27-23)10-9-15(3)4/h7-9,12,24H,10-11,13H2,1-6H3,(H,25,26)",CC(C)=CC=CC1(C)CCc2c(O)c(C(=O)O)c(C)c(CC=C(C)C)c2O1,C23H30O4,,370.21440944,LJFBYGPHKHZLQD,Terpenoids,Diterpenoids,,Peperomia obtusifolia,242356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia obtusifolia'],4,0,5.8046194314956665 1047,13109,-1,,,,0.74667263,ISDB,,,,,,,QRBQVYGYVPJGGV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9866905212402344 1048,13108,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47294813,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.39179253578186 1049,13106,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53096557,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.623862266540527 1050,13106,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53096557,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.623862266540527 1051,13105,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,pos_1_1sodium1acetonitrile,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,1,7.5 1052,13104,-1,,,,0.0,MS1_match,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,pos_1_1proton1ethylamine,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 1053,13104,-1,,,,0.0,MS1_match,FOWUQUQIDYYMAT-TUGUJQRKSA-N,"InChI=1S/C35H54O3/c1-21(2)25-11-14-34(8,37)35(38)15-10-23(17-29(25)35)16-24-18-31-32(5,6)12-9-13-33(31,7)28-20-30(36)26(22(3)4)19-27(24)28/h17,19-22,24-25,29,31,36-38H,9-16,18H2,1-8H3/t24-,25+,29+,31+,33-,34+,35+/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@]2(O)CC1,C35H54O3,pos_1_1proton1acetonitrile,522.4072955879999,FOWUQUQIDYYMAT,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 1054,13104,-1,,,,0.0,MS1_match,FOWUQUQIDYYMAT-TUGUJQRKSA-N,"InChI=1S/C35H54O3/c1-21(2)25-11-14-34(8,37)35(38)15-10-23(17-29(25)35)16-24-18-31-32(5,6)12-9-13-33(31,7)28-20-30(36)26(22(3)4)19-27(24)28/h17,19-22,24-25,29,31,36-38H,9-16,18H2,1-8H3/t24-,25+,29+,31+,33-,34+,35+/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@]2(O)CC1,C35H54O3,pos_1_1proton1acetonitrile,522.4072955879999,FOWUQUQIDYYMAT,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 1055,13103,-1,,,,0.0,MS1_match,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,pos_1_1sodium,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 1056,13102,-1,,,,0.22988115,ISDB,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.919524610042572 1057,13098,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.68621755,ISDB,GVCKQCGCUAALBH-ADQQNIAQSA-N,"InChI=1S/C36H44O9/c1-19-23(22-12-13-41-17-22)14-24-29(19)36(5)25(15-28(40-6)44-24)35(4)26(38)16-27(43-20(2)37)34(3)18-42-30(31(34)35)32(36)45-33(39)21-10-8-7-9-11-21/h7-13,17,23-28,30-32,38H,14-16,18H2,1-6H3/t23-,24+,25-,26+,27-,28-,30-,31+,32-,34-,35+,36-/m1/s1",CO[C@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](OC(=O)c1ccccc1)[C@@H]1OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@@]2(C)[C@@H]13,C36H44O9,,620.298532988,GVCKQCGCUAALBH,Terpenoids,Triterpenoids,Limonoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,1,7.244870185852051 1058,13089,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.69071674,ISDB,GVCKQCGCUAALBH-ADQQNIAQSA-N,"InChI=1S/C36H44O9/c1-19-23(22-12-13-41-17-22)14-24-29(19)36(5)25(15-28(40-6)44-24)35(4)26(38)16-27(43-20(2)37)34(3)18-42-30(31(34)35)32(36)45-33(39)21-10-8-7-9-11-21/h7-13,17,23-28,30-32,38H,14-16,18H2,1-6H3/t23-,24+,25-,26+,27-,28-,30-,31+,32-,34-,35+,36-/m1/s1",CO[C@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](OC(=O)c1ccccc1)[C@@H]1OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@@]2(C)[C@@H]13,C36H44O9,,620.298532988,GVCKQCGCUAALBH,Terpenoids,Triterpenoids,Limonoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,1,7.262866973876953 1059,13088,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,MNUNUJQYFJZRHQ-VZLLCJDWSA-N,"InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O6,pos_1_1proton1dmso,618.392039448,MNUNUJQYFJZRHQ,Terpenoids,Triterpenoids,Lupane triterpenoids,Pyracantha crenulata,944497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha crenulata'],6,1,6.5 1060,13088,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,YZDQDCHESVQFNC-PQBXVMOBSA-N,"InChI=1S/C39H54O6/c1-23-12-17-39(34(43)44)19-18-37(6)28(33(39)24(23)2)9-10-30-36(5)15-14-31(35(3,4)29(36)13-16-38(30,37)7)45-32(42)11-8-25-20-26(40)22-27(41)21-25/h8-9,11,20-24,29-31,33,40-41H,10,12-19H2,1-7H3,(H,43,44)/b11-8+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6cc(O)cc(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H54O6,pos_1_1proton1dmso,618.392039448,YZDQDCHESVQFNC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,1,6.5 1061,13087,1534,Fatty acids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.6375729,ISDB,,,,,,,NQRWZWIEUNALAN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5502915382385254 1062,13084,1534,Fatty acids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.560992,ISDB,,,,,,,XZYOKANLMMRSNG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2439680099487305 1063,13083,-1,,,,0.47456494,ISDB,VLFUANNVMXKBPF-QUMVNEPESA-N,"InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3/t19-,20+,22-,23-,24+,25+,27+,28-,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12,C30H48O2,,440.3654307759999,VLFUANNVMXKBPF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,8.89825975894928 1064,13082,1253,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.50644225,ISDB,YSXDURFMHDUCMP-DWXACDDLSA-N,"InChI=1S/C40H60O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(42)47-26-30-24-31-34-37(5,6)40(34,48-29(4)41)36(44)28(3)39(31,46)32-23-27(2)35(43)38(32,45)25-30/h11-12,14-15,23-24,28,31-32,34,36,44-46H,7-10,13,16-22,25-26H2,1-6H3/b12-11-,15-14-/t28-,31-,32+,34+,36-,38-,39-,40-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1=C[C@@H]2[C@H]3C(C)(C)[C@]3(OC(C)=O)[C@H](O)[C@@H](C)[C@]2(O)[C@H]2C=C(C)C(=O)[C@@]2(O)C1,C40H60O8,,668.42881888,YSXDURFMHDUCMP,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Croton tiglium,610887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton tiglium'],4,0,6.025768995285034 1065,13080,255,Terpenoids,Triterpenoids,Ergostane steroids,0.37655073,ISDB,DDLHISCCNYFWOT-PSSYVLGHSA-N,"InChI=1S/C28H40O3/c1-16-19-10-12-27(5)23(26(19,4)14-22(30)24(16)31)8-7-20-18-13-25(2,3)11-9-17(18)21(29)15-28(20,27)6/h7,17-19,23,31H,8-15H2,1-6H3/t17-,18+,19-,23+,26-,27+,28+/m0/s1",CC1=C(O)C(=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)C[C@@]4(C)[C@]3(C)CC[C@@H]12,C28H40O3,,424.29774514,DDLHISCCNYFWOT,Terpenoids,Triterpenoids,,Physena madagascariensis,684979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Physenaceae'],['Unknown'],['Physena'],['Physena madagascariensis'],3,2,5.506202936172485 1066,13079,347,Terpenoids,Triterpenoids,Cholestane steroids,0.6250372,ISDB,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,2,11.50014877319336 1067,13073,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.8098608,ISDB,NIPOOHDDUAPIFF-SDFQJENMSA-N,"InChI=1S/C38H62O11/c1-19(40)46-28-26(43)22(17-39)47-31(27(28)44)48-24-10-12-38-18-37(38)14-13-34(6)30(36(8)11-9-25(49-36)33(4,5)45)21(42)16-35(34,7)23(37)15-20(41)29(38)32(24,2)3/h20-31,39,41-45H,9-18H2,1-8H3/t20-,21-,22+,23-,24-,25-,26+,27+,28-,29-,30-,31-,34+,35-,36+,37-,38+/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O)[C@H]4C2(C)C)O[C@H](CO)[C@H]1O,C38H62O11,,694.429212804,NIPOOHDDUAPIFF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus verrucosus,3925313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus verrucosus'],4,2,8.239443302154541 1068,13072,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.49587092,ISDB,MNXGYEJYONFZKY-LFOKCNBKSA-N,"InChI=1S/C38H60O10/c1-8-46-28-26(40)27(41)31(48-29(28)30(42)43)47-25-12-13-34(4)23(35(25,5)20-39)11-14-37(7)24(34)10-9-21-22-19-33(2,3)15-17-38(22,32(44)45)18-16-36(21,37)6/h9,22-29,31,39-41H,8,10-20H2,1-7H3,(H,42,43)(H,44,45)/t22-,23+,24+,25-,26+,27+,28-,29-,31?,34-,35-,36+,37+,38-/m0/s1",CCO[C@H]1[C@H](O)[C@@H](O)C(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)O[C@@H]1C(=O)O,C38H60O10,,676.41864812,MNXGYEJYONFZKY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Atriplex nummularia,892383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Atriplex'],['Atriplex nummularia'],4,3,7.483483672142029 1069,13071,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-UHFFFAOYSA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)",CC(C)(O)C1CCC(C2CCC3(C)C4(C)CCC5C(C)(C)C(OC(=O)CC(=O)O)CCC5(C)C4CC(O)C23C)O1,C33H54O7,pos_1_1proton1methanol,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 1070,13071,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-BLMMWBQISA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20-,21-,22+,23+,24+,25+,30-,31+,32-,33+/m0/s1",CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1methanol,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 1071,13071,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-YCIWXRGLSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27-,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1methanol,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 1072,13071,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-KJARQRAKSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27+,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1methanol,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 1073,13070,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1isopropanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1074,13070,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1isopropanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1075,13070,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1isopropanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1076,13070,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1isopropanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1077,13069,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.30737844,ISDB,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,9.729513764381409 1078,13068,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FCJMSYBZNPUJID-XSDUFFGSSA-N,"InChI=1S/C31H48O4/c1-20(2)24-15-19-31(7)26(29(24,5)17-16-27(32)35-8)13-12-25-23(14-18-30(25,31)6)21(3)10-9-11-22(4)28(33)34/h11,23-26H,1,3,9-10,12-19H2,2,4-8H3,(H,33,34)/b22-11+/t23-,24+,25-,26+,29+,30-,31-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C,C31H48O4,pos_1_1proton1methanol,484.355260016,FCJMSYBZNPUJID,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 1079,13067,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1proton,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 1080,13064,-1,,,,0.3679514,ISDB,QAEYNJCMUKOCQZ-UYJVZJFISA-N,"InChI=1S/C34H50O3/c1-2-33(36)29-25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-26-30-34(37)31-27-24-28-32-35/h1,3,5,25,29,33-37H,4,6-14,16,18-23,26,30,32H2/b5-3+,29-25+/t33-,34-/m1/s1",C#C[C@@H](O)/C=C/CCCCCCCCCC/C=C/CCCCC#CCCCCC[C@@H](O)C#CC#CCO,C34H50O3,,506.37599546,QAEYNJCMUKOCQZ,Fatty acids,Fatty acyls,Fatty alcohols,Petrosia durissima,4939053.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Petrosia'],['Petrosia durissima'],1,0,2.4718055725097656 1081,13064,-1,,,,0.3679514,ISDB,QAEYNJCMUKOCQZ-AJLCKRAQSA-N,"InChI=1S/C34H50O3/c1-2-33(36)29-25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-26-30-34(37)31-27-24-28-32-35/h1,3,5,25,29,33-37H,4,6-14,16,18-23,26,30,32H2/b5-3-,29-25+",C#CC(O)/C=C/CCCCCCCCCC/C=C\CCCCC#CCCCCCC(O)C#CC#CCO,C34H50O3,,506.37599546,QAEYNJCMUKOCQZ,Fatty acids,Fatty acyls,Fatty alcohols,Xestospongia,880228.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Xestospongia'],['Unknown'],1,0,2.4718055725097656 1082,13060,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3774661,ISDB,AECFRWIMGJUAKO-NGFLPQLESA-N,"InChI=1S/C37H60O11/c1-19-9-12-37(16-25(41)48-31-28(44)27(43)26(42)22(17-38)47-31)14-13-34(4)20(29(37)36(19,6)46)7-8-24-32(2)15-21(40)30(45)33(3,18-39)23(32)10-11-35(24,34)5/h7,19,21-24,26-31,38-40,42-46H,8-18H2,1-6H3/t19-,21-,22-,23+,24-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-/m1/s1",C[C@@H]1CC[C@]2(CC(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C37H60O11,,680.41356274,AECFRWIMGJUAKO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Quercus suber,272709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus suber'],5,2,7.509864449501038 1083,13058,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.5321517,ISDB,ZHVMTWBQNOFIAG-LRDHLHFSSA-N,"InChI=1S/C29H54O/c1-21(2)12-9-10-13-22(3)16-17-23(4)14-11-15-24(5)18-19-28-26(7)20-25(6)27(8)29(28)30/h21-25,27H,9-20H2,1-8H3/t22-,23+,24-,25-,27+/m0/s1",CC1=C(CC[C@@H](C)CCC[C@@H](C)CC[C@@H](C)CCCCC(C)C)C(=O)[C@H](C)[C@@H](C)C1,C29H54O,,418.417466348,ZHVMTWBQNOFIAG,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],3,0,5.128606796264648 1084,13055,-1,,,,0.50863785,ISDB,BVYCAPFVTXXBQK-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C2C1C,C30H46O,,422.354866092,BVYCAPFVTXXBQK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sida acuta,515749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sida'],['Sida acuta'],4,0,6.034551382064819 1085,13054,746,,,,0.236261,ISDB,,,,,,,CWCIFBAWVLLPAM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9450439810752869 1086,13050,423,Terpenoids,Steroids,Stigmastane steroids,0.45507655,ISDB,QWUZNYCFLGLOKN-UHFFFAOYSA-N,"InChI=1S/C29H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(30)26-24-27-29(31)32/h28,30H,2-27H2,1H3,(H,31,32)",CCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O,C29H58O3,,454.438595716,QWUZNYCFLGLOKN,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Cerinthe minor,98424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Cerinthe'],['Cerinthe minor'],3,0,4.820306181907654 1087,13049,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.566939,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.76775598526001 1088,13049,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.566939,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.76775598526001 1089,13049,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.566939,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.76775598526001 1090,13049,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.566939,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.76775598526001 1091,13049,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.566939,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.76775598526001 1092,13048,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.45553303,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],3,1,5.322132110595703 1093,13048,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.45553303,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum hispidum,573878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hispidum'],3,1,5.322132110595703 1094,13048,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.45553303,ISDB,UJJOTHZQHRLIPY-ZMFXEAAYSA-N,"InChI=1S/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H54O8,,578.3818686879998,UJJOTHZQHRLIPY,Terpenoids,Steroids,Spirostane steroids,Solanum asperolanatum,364020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperolanatum'],3,1,5.322132110595703 1095,13047,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5129901,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.551960468292236 1096,13047,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5129901,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.551960468292236 1097,13046,2100,Polyketides,Polycyclic aromatic polyketides,,0.2635882,ISDB,VACDYOFFZQTSPN-HAKWYHDRSA-N,"InChI=1S/C33H33NO14/c1-11-8-13-6-7-32(47-5)29(42)20-15(28(41)33(32,44)21(13)25(39)18(11)31(43)46-4)9-14-19(24(20)38)17(35)10-16(23(14)37)34-30-27(45-3)26(40)22(36)12(2)48-30/h8-10,12,22,26-27,30,34,36,38-40,44H,6-7H2,1-5H3/t12-,22-,26-,27+,30-,32-,33+/m0/s1",COC(=O)c1c(C)cc2c(c1O)[C@@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@@]1(OC)CC2)C(=O)C=C(N[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@H]1OC)C4=O,C33H33NO14,,667.190104736,VACDYOFFZQTSPN,Polyketides,Polycyclic aromatic polyketides,,Salinispora arenicola,529998.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Micromonosporales'],['Micromonosporaceae'],['Unknown'],['Salinispora'],['Salinispora arenicola'],0,2,2.0543527603149414 1098,13045,1894,Terpenoids,Diterpenoids,Pregnane steroids,0.5270614,ISDB,HIWMYGWPPTZIGR-AIJIBBQMSA-N,"InChI=1S/C35H52O3/c1-19(2)29-23-11-10-21(4)30-22-14-34(7,26(30)16-33(23,6)17-27(29)36)35(15-22)25-13-24-20(3)9-8-12-32(24,5)18-28(25)38-31(35)37/h9,19,21-25,27-29,36H,8,10-18H2,1-7H3/t21-,22+,23-,24+,25+,27+,28-,29+,32-,33-,34+,35-/m0/s1",CC1=CCC[C@@]2(C)C[C@@H]3OC(=O)[C@]4(C[C@H]5C[C@]4(C)C4=C5[C@@H](C)CC[C@H]5[C@@H](C(C)C)[C@H](O)C[C@]5(C)C4)[C@@H]3C[C@H]12,C35H52O3,,520.391645524,HIWMYGWPPTZIGR,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Plagiochila rutilans var. moritziana,160986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Plagiochilaceae'],['Unknown'],['Plagiochila'],['Plagiochila rutilans'],3,2,6.108245611190796 1099,13044,1231,,,,0.26881823,ISDB,,,,,,,JPOWUOSGQUAHAP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0752729177474976 1100,13043,423,Terpenoids,Steroids,Stigmastane steroids,0.45429865,ISDB,QWUZNYCFLGLOKN-UHFFFAOYSA-N,"InChI=1S/C29H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(30)26-24-27-29(31)32/h28,30H,2-27H2,1H3,(H,31,32)",CCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O,C29H58O3,,454.438595716,QWUZNYCFLGLOKN,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Cerinthe minor,98424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Cerinthe'],['Cerinthe minor'],3,0,4.817194581031799 1101,13041,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.44803613,ISDB,BMLHAAYMHXIWOH-SSCRXYMISA-N,"InChI=1S/C43H70O14/c1-38(2)17-22-21-9-10-25-40(4)13-12-27(41(5,20-45)24(40)11-14-43(25,7)42(21,6)16-15-39(22,3)26(46)18-38)55-37-34(31(50)30(49)33(56-37)35(52)53-8)57-36-32(51)29(48)28(47)23(19-44)54-36/h9,22-34,36-37,44-51H,10-20H2,1-8H3/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31-,32+,33-,34+,36-,37+,39+,40-,41+,42+,43+/m0/s1",COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@]34C)[C@@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C43H70O14,,810.47655692,BMLHAAYMHXIWOH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Galega officinalis,222250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega officinalis'],4,3,7.292144536972046 1102,13041,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.44803613,ISDB,BMLHAAYMHXIWOH-YGNLTNAQSA-N,"InChI=1S/C43H70O14/c1-38(2)17-22-21-9-10-25-40(4)13-12-27(41(5,20-45)24(40)11-14-43(25,7)42(21,6)16-15-39(22,3)26(46)18-38)55-37-34(31(50)30(49)33(56-37)35(52)53-8)57-36-32(51)29(48)28(47)23(19-44)54-36/h9,22-34,36-37,44-51H,10-20H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31-,32+,33-,34+,36-,37+,39+,40-,41+,42+,43+/m0/s1",COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@]34C)[C@@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C43H70O14,,810.47655692,BMLHAAYMHXIWOH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Astragalus sinicus,192323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus sinicus'],4,3,7.292144536972046 1103,13040,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4122176,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella esculenta,223079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella esculenta'],5,2,7.648870348930359 1104,13040,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4122176,ISDB,RWNHLTKFBKYDOJ-WLVUEYHVSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis fissa,651161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis fissa'],5,2,7.648870348930359 1105,13040,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4122176,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,7.648870348930359 1106,13040,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4122176,ISDB,RWNHLTKFBKYDOJ-IJDLJTCJSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19?,20-,21?,22?,23+,26+,27+,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1,C30H48O5,,488.350174636,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,2,7.648870348930359 1107,13040,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4122176,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,7.648870348930359 1108,13040,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4122176,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,2,7.648870348930359 1109,13040,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4122176,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica gale,79360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica gale'],5,2,7.648870348930359 1110,13039,347,Terpenoids,Triterpenoids,Cholestane steroids,0.50222844,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,7.50891375541687 1111,13038,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.21939674,ISDB,VWXMLZQUDPCJPL-ZDHAIZATSA-N,"InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-",CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C,C40H50O2,,562.38108084,VWXMLZQUDPCJPL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,9.377586960792542 1112,13038,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.21939674,ISDB,VWXMLZQUDPCJPL-ZDHAIZATSA-N,"InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-",CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C,C40H50O2,,562.38108084,VWXMLZQUDPCJPL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,9.377586960792542 1113,13037,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.49055076,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.462203025817871 1114,13033,-1,,,,0.7628403,ISDB,VXXSCSBVVAFHAE-JFINTUIJSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)9-10-21-28(6)12-11-23(31)26(3,4)22(28)17-24(32)30(21,29)8/h9-10,20,22-24,31-32H,11-18H2,1-8H3/t20-,22-,23-,24+,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]3(C)[C@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1,C30H48O2,,440.365430776,VXXSCSBVVAFHAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis indica,129487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis indica'],5,0,8.051361083984375 1115,13032,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.5322562,ISDB,ZHVMTWBQNOFIAG-LRDHLHFSSA-N,"InChI=1S/C29H54O/c1-21(2)12-9-10-13-22(3)16-17-23(4)14-11-15-24(5)18-19-28-26(7)20-25(6)27(8)29(28)30/h21-25,27H,9-20H2,1-8H3/t22-,23+,24-,25-,27+/m0/s1",CC1=C(CC[C@@H](C)CCC[C@@H](C)CC[C@@H](C)CCCCC(C)C)C(=O)[C@H](C)[C@@H](C)C1,C29H54O,,418.417466348,ZHVMTWBQNOFIAG,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],3,0,5.1290247440338135 1116,13027,-1,,,,0.750119,ISDB,PKMBOLUTQNQQBP-MJFBQLCDSA-N,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3/t19-,20+,21+,22-,24-,26+,27-,28+,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@H]13,C30H46O2,,438.349780712,PKMBOLUTQNQQBP,Terpenoids,Triterpenoids,Bauerane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,7.000475883483887 1117,13027,-1,,,,0.750119,ISDB,PKMBOLUTQNQQBP-UHFFFAOYSA-N,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3",CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(=O)CCC6(C)C5C=CC4(OC2)C3C1C,C30H46O2,,438.349780712,PKMBOLUTQNQQBP,Terpenoids,Triterpenoids,Bauerane triterpenoids,Salvia mellifera,1609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia mellifera'],4,0,7.000475883483887 1118,13025,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5461646,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.6846582889556885 1119,13015,-1,,,,0.59989625,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.399585008621216 1120,13014,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3115296,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.746118426322937 1121,13006,1280,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59188694,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.867547750473022 1122,13006,1280,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59188694,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.867547750473022 1123,13005,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2814261,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,2,7.125704407691956 1124,13004,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.27176657,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0870662927627563 1125,12999,227,Fatty acids,Diterpenoids,Fatty alcohols,0.3572986,ISDB,ONSSRTRCPXQQTE-YMPZKCBVSA-N,"InChI=1S/C27H46O3/c1-20-11-8-16-26(3,4)23(20)15-7-13-22(19-28)14-10-18-30-25(29)24-21(2)12-9-17-27(24,5)6/h9,12,20,22-23,28H,7-8,10-11,13-19H2,1-6H3/t20-,22-,23-/m1/s1",CC1=C(C(=O)OCCC[C@H](CO)CCC[C@@H]2[C@H](C)CCCC2(C)C)C(C)(C)CC=C1,C27H46O3,,418.344695332,ONSSRTRCPXQQTE,Terpenoids,Diterpenoids,Cyclophytane diterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,2,6.429194450378418 1126,12996,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31652784,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.766111373901367 1127,12996,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31652784,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.766111373901367 1128,12992,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6251475,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,9.000590085983276 1129,12987,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42497814,ISDB,GGJALAPIVOPIAE-RGIYVBCLSA-N,"InChI=1S/C40H64O12/c1-21(20-49-36-34(47)33(46)32(45)29(19-41)52-36)10-9-11-22(2)31-27(44)18-39(8)26-16-28(50-23(3)42)35-37(5,6)30(51-24(4)43)13-15-40(35,48)17-25(26)12-14-38(31,39)7/h10,12,22,26-36,41,44-48H,9,11,13-20H2,1-8H3/b21-10+/t22-,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,36-,38-,39+,40-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)C[C@@]23C)C[C@]2(O)CC[C@H](OC(C)=O)C(C)(C)[C@H]12,C40H64O12,,736.439777488,GGJALAPIVOPIAE,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Astragalus mongholicus,445993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus mongholicus'],4,2,6.6999125480651855 1130,12987,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42497814,ISDB,GGJALAPIVOPIAE-RGIYVBCLSA-N,"InChI=1S/C40H64O12/c1-21(20-49-36-34(47)33(46)32(45)29(19-41)52-36)10-9-11-22(2)31-27(44)18-39(8)26-16-28(50-23(3)42)35-37(5,6)30(51-24(4)43)13-15-40(35,48)17-25(26)12-14-38(31,39)7/h10,12,22,26-36,41,44-48H,9,11,13-20H2,1-8H3/b21-10+/t22-,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,36-,38-,39+,40-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)C[C@@]23C)C[C@]2(O)CC[C@H](OC(C)=O)C(C)(C)[C@H]12,C40H64O12,,736.439777488,GGJALAPIVOPIAE,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Astragalus trimestris,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],4,2,6.6999125480651855 1131,12987,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42497814,ISDB,GGJALAPIVOPIAE-RGIYVBCLSA-N,"InChI=1S/C40H64O12/c1-21(20-49-36-34(47)33(46)32(45)29(19-41)52-36)10-9-11-22(2)31-27(44)18-39(8)26-16-28(50-23(3)42)35-37(5,6)30(51-24(4)43)13-15-40(35,48)17-25(26)12-14-38(31,39)7/h10,12,22,26-36,41,44-48H,9,11,13-20H2,1-8H3/b21-10+/t22-,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,36-,38-,39+,40-/m1/s1",CC(=O)O[C@H]1C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)C[C@@]23C)C[C@]2(O)CC[C@H](OC(C)=O)C(C)(C)[C@H]12,C40H64O12,,736.439777488,GGJALAPIVOPIAE,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Astragalus membranaceus,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],4,2,6.6999125480651855 1132,12984,1947,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.2584399,ISDB,YSXNGXICERZIKN-PZYQEKFGSA-N,"InChI=1S/C34H56O9/c1-7-40-23-12-17(2)24-19(41-23)14-32(6)21-13-18(36)28-30(3,4)22(43-29-27(39)26(38)25(37)20(15-35)42-29)8-9-34(28)16-33(21,34)11-10-31(24,32)5/h17-29,35-39H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,31-,32+,33+,34-/m1/s1",CCO[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1,C34H56O9,,608.392433372,YSXNGXICERZIKN,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus fruticosus,3925012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus fruticosus'],4,3,6.533759593963623 1133,12984,1947,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.2584399,ISDB,YSXNGXICERZIKN-PZYQEKFGSA-N,"InChI=1S/C34H56O9/c1-7-40-23-12-17(2)24-19(41-23)14-32(6)21-13-18(36)28-30(3,4)22(43-29-27(39)26(38)25(37)20(15-35)42-29)8-9-34(28)16-33(21,34)11-10-31(24,32)5/h17-29,35-39H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,31-,32+,33+,34-/m1/s1",CCO[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1,C34H56O9,,608.392433372,YSXNGXICERZIKN,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus tomentosus,3925012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus fruticosus'],4,3,6.533759593963623 1134,12983,663,Terpenoids,Triterpenoids,Limonoids,0.8391028,ISDB,UVFJADXUWLERQA-LUWARDELSA-N,"InChI=1S/C34H54O8/c1-18(35)40-25-26(30(7)14-13-24(42-30)29(5,6)39)32(9)23(38)16-34-17-33(34)15-12-22(37)28(3,4)20(33)10-11-21(34)31(32,8)27(25)41-19(2)36/h20-27,37-39H,10-17H2,1-9H3/t20-,21-,22-,23+,24+,25+,26+,27-,30-,31+,32+,33+,34-/m0/s1",CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35C[C@@H](O)[C@]2(C)[C@H]1[C@]1(C)CC[C@H](C(C)(C)O)O1,C34H54O8,,590.3818686879999,UVFJADXUWLERQA,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],4,2,8.356411218643188 1135,12982,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.45589748,ISDB,SEHIFTGVXDJWTD-QIXNODCWSA-N,"InChI=1S/C30H52O6/c1-17(8-9-18(2)27(4,5)36-19(3)31)22-10-11-23-21-14-26(34)30(35)16-20(32)12-13-28(30,6)24(21)15-25(33)29(22,23)7/h17-18,20-26,32-35H,8-16H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,26-,28-,29-,30+/m1/s1",CC(=O)OC(C)(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C30H52O6,,508.376389384,SEHIFTGVXDJWTD,Terpenoids,Steroids,Cholestane steroids,Callyspongia fibrosa,2834420.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Callyspongia fibrosa'],1,1,3.3235899209976196 1136,12981,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-HUOCPXEISA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,24+,25-,26-,27+/m1/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H44O3,pos_1_1proton1methanol,416.3290452679999,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1137,12981,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3",CC1(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CCC(=O)O1,C27H44O3,pos_1_1proton1methanol,416.329045268,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1138,12981,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-HUOCPXEISA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,24+,25-,26-,27+/m1/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H44O3,pos_1_1proton1methanol,416.3290452679999,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1139,12981,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3",CC1(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CCC(=O)O1,C27H44O3,pos_1_1proton1methanol,416.329045268,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1140,12976,3179,Polyketides,Aromatic polyketides,Catechols with side chains,0.67091286,ISDB,GDVLCNQYYICCCQ-UHFFFAOYSA-N,"InChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20-21/h16,18-20,23H,2-15,17H2,1H3",CCCCCCCCCCCCCCCCc1cccc(O)c1,C22H38O,,318.292265836,GDVLCNQYYICCCQ,Polyketides,Aromatic polyketides,Catechols with side chains,Searsia thyrsiflora,6124253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Searsia'],['Searsia thyrsiflora'],4,3,8.183651447296143 1141,12973,-1,,,,0.4768753,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,7.907501220703125 1142,12971,-1,,,,0.0,MS1_match,QTXRRQPFTMGEOP-ILQGDWHLSA-N,"InChI=1S/C19H30N2O2/c1-3-13(2)23-16-7-8-20-11-14-9-15(18(20)10-16)12-21-17(14)5-4-6-19(21)22/h3,14-18H,4-12H2,1-2H3/b13-3+/t14-,15+,16-,17+,18-/m0/s1",C/C=C(\C)O[C@H]1CCN2C[C@@H]3C[C@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C19H30N2O2,pos_2MH,318.2307282,QTXRRQPFTMGEOP,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista cinerea,554254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista cinerea'],6,0,6.0 1143,12971,-1,,,,0.0,MS1_match,QTXRRQPFTMGEOP-ILQGDWHLSA-N,"InChI=1S/C19H30N2O2/c1-3-13(2)23-16-7-8-20-11-14-9-15(18(20)10-16)12-21-17(14)5-4-6-19(21)22/h3,14-18H,4-12H2,1-2H3/b13-3+/t14-,15+,16-,17+,18-/m0/s1",C/C=C(\C)O[C@H]1CCN2C[C@@H]3C[C@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C19H30N2O2,pos_2MH,318.2307282,QTXRRQPFTMGEOP,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Rothia indica,3928189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Rothia'],['Rothia indica'],6,0,6.0 1144,12971,-1,,,,0.0,MS1_match,CTQUTKHBCCSLBB-MHQKHJEGSA-N,"InChI=1S/C36H60O7/c1-20-27(39)28(40)29(41)30(42-20)43-26-18-31(2,3)17-22-21-9-10-24-33(5)13-12-25(38)34(6,19-37)23(33)11-14-36(24,8)35(21,7)16-15-32(22,26)4/h9,20,22-30,37-41H,10-19H2,1-8H3/t20-,22-,23+,24+,25-,26+,27-,28+,29+,30-,32+,33-,34+,35+,36+/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2CC(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]23C)[C@H](O)[C@H](O)[C@H]1O,C36H60O7,pos_1_1proton1methanol,604.43390426,CTQUTKHBCCSLBB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Erythrina sigmoidea,3921516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina sigmoidea'],6,0,6.0 1145,12968,-1,,,,0.3612269,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,4.444907546043396 1146,12967,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.54983884,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.699355363845825 1147,12966,2560,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,0.5188155,ISDB,FHEJLVSXCHPHAN-FPLPWBNLSA-N,"InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(28)21(26)18(2)22(27)24(20)29-19(3)25/h7-8,26H,4-6,9-17H2,1-3H3/b8-7-",CCCC/C=C\CCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(O)C1=O,C24H36O5,,404.256274252,FHEJLVSXCHPHAN,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],3,3,6.575262069702148 1148,12965,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6829679,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.231871604919434 1149,12965,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6829679,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.231871604919434 1150,12964,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.26681194,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,2,8.067247748374939 1151,12962,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7427795,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9711179733276367 1152,12957,-1,,,,0.24483198,ISDB,,,,,,,VFLYULAVOFVIAM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.979327917098999 1153,12956,-1,,,,0.21457659,ISDB,,,,,,,IKWWLIZHWPWWDY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.858306348323822 1154,12953,-1,,,,0.0,MS1_match,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,pos_1_1proton1methanol,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,7.0 1155,12953,-1,,,,0.0,MS1_match,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,pos_1_1proton1methanol,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,7.0 1156,12952,1211,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.5971275,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.88850998878479 1157,12951,-1,,,,0.47090393,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,7.883615732192993 1158,12950,935,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.32584795,ISDB,RLFCGSUEMADNOF-MRTFXUHKSA-N,"InChI=1S/C41H64O10/c1-12-24(6)34(45)37(47)51-31-19-30(38(7,8)48)39(9,16-15-32(42)43)35-28(50-36(46)33(44)23(4)5)20-40(10)27(13-14-29(40)41(31,35)11)25-18-26(49-21-25)17-22(2)3/h12,14,17,23,25-28,30-31,33-35,44-45,48H,13,15-16,18-21H2,1-11H3,(H,42,43)/b24-12+/t25-,26-,27+,28-,30+,31-,33-,34-,35-,39+,40+,41-/m1/s1",C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]2[C@H](OC(=O)[C@H](O)C(C)C)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@@]21C,C41H64O10,,716.449948248,RLFCGSUEMADNOF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aglaia argentea,627552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia argentea'],4,3,6.803391814231873 1159,12947,1593,Polyketides,Meroterpenoids,,0.4246434,ISDB,,,,,,,QWMMZXHJINOJSZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6985735893249512 1160,12946,-1,,,,0.2540322,ISDB,UIJURYQMPJCWOS-UDXFTYFSSA-N,"InChI=1S/C40H60O3/c1-26-9-13-30-35(2,3)18-7-19-36(30,4)29(26)12-10-27-15-22-39(23-16-27)28-11-14-32-37(5)20-8-21-38(6,34(42)43)31(37)17-24-40(32,25-28)33(39)41/h15,28-32H,1,7-14,16-25H2,2-6H3,(H,42,43)/t28-,29-,30-,31+,32+,36+,37-,38-,39+,40-/m1/s1",C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC1=CC[C@@]2(CC1)C(=O)[C@@]13CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]1CC[C@@H]2C3,C40H60O3,,588.45424578,UIJURYQMPJCWOS,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Xylopia frutescens,76994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia frutescens'],3,0,4.016128778457642 1161,12946,-1,,,,0.2540322,ISDB,UIJURYQMPJCWOS-CDMHRTSGSA-N,"InChI=1S/C40H60O3/c1-26-9-13-30-35(2,3)18-7-19-36(30,4)29(26)12-10-27-15-22-39(23-16-27)28-11-14-32-37(5)20-8-21-38(6,34(42)43)31(37)17-24-40(32,25-28)33(39)41/h15,28-32H,1,7-14,16-25H2,2-6H3,(H,42,43)/t28-,29+,30-,31-,32-,36+,37+,38+,39-,40-/m1/s1",C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCC1=CC[C@]2(CC1)C(=O)[C@@]13CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@H]1CC[C@@H]2C3,C40H60O3,,588.45424578,UIJURYQMPJCWOS,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Xylopia acutiflora,3867985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia acutiflora'],3,0,4.016128778457642 1162,12944,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5846134,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.838453531265259 1163,12944,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5846134,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum cyrtophyllum,886107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum cyrtophyllum'],4,3,7.838453531265259 1164,12943,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.47489032,ISDB,SOJWLJKPIIODOH-QRVBRYPASA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,2,7.899561285972595 1165,12940,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.55127615,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.70510458946228 1166,12938,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5676409,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.77056360244751 1167,12938,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5676409,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum cyrtophyllum,886107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum cyrtophyllum'],4,3,7.77056360244751 1168,12935,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5932061,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum cyrtophyllum,886107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum cyrtophyllum'],4,3,7.872824430465698 1169,12935,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5932061,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.872824430465698 1170,12933,1811,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.63976735,ISDB,WUENWZUJMIZJPA-UBTCDGAASA-N,"InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1",C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@H]12)C3,C20H30O3,,318.21949482,WUENWZUJMIZJPA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,9.059069395065308 1171,12933,1811,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.63976735,ISDB,WUENWZUJMIZJPA-UBTCDGAASA-N,"InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1",C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@H]12)C3,C20H30O3,,318.21949482,WUENWZUJMIZJPA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,3,9.059069395065308 1172,12925,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7307552,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.423020839691162 1173,12925,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7307552,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.423020839691162 1174,12924,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.57575196,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.80300784111023 1175,12923,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.62773955,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.510958194732666 1176,12923,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.62773955,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.510958194732666 1177,12920,-1,,,,0.0,MS1_match,YVMAYTYEFBTXFR-UHFFFAOYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3",CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(OC(=O)C=Cc4ccc(O)c(O)c4)C(C)(C)C3CCC12C,C39H58O5,pos_1_minus1proton1magnesium,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 1178,12920,-1,,,,0.0,MS1_match,YVMAYTYEFBTXFR-MYGOKKNYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O5,pos_1_minus1proton1magnesium,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 1179,12920,-1,,,,0.0,MS1_match,YVMAYTYEFBTXFR-MYGOKKNYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O5,pos_1_minus1proton1magnesium,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 1180,12920,-1,,,,0.0,MS1_match,CDIRJUWHWWLLQA-AWPSIURNSA-N,"InChI=1S/C39H58O5/c1-26(25-40)9-8-21-39(7,43)30-18-23-37(5)29(30)15-16-32-36(4)22-20-33(35(2,3)31(36)19-24-38(32,37)6)44-34(42)17-12-27-10-13-28(41)14-11-27/h9-14,17,29-33,40-41,43H,8,15-16,18-25H2,1-7H3/b17-12+,26-9+/t29-,30+,31-,32-,33+,36+,37-,38-,39+/m1/s1",C/C(=C\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@H]3CC[C@]12C)CO,C39H58O5,pos_1_minus1proton1magnesium,606.428424956,CDIRJUWHWWLLQA,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 1181,12919,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28822997,ISDB,PUSNSFIJAMTISX-LQOHYYORSA-N,"InChI=1S/C24H42N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h6,8,19-20H,4-5,7,9-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/b8-6-/t20-/m1/s1",CC(C)CCC/C=C\CCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O,C24H42N4O4,,450.320605824,PUSNSFIJAMTISX,Fatty acids,Fatty amides,N-acyl amines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.152919888496399 1182,12915,423,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,SXJVFYZNUGGHRG-UHFFFAOYSA-N,"InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3",CCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C,C29H50O2,pos_1_minus1proton1magnesium,430.38108084,SXJVFYZNUGGHRG,Terpenoids,Steroids,Stigmastane steroids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 1183,12915,423,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,SXJVFYZNUGGHRG-PZHNMUJHSA-N,"InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O2,pos_1_minus1proton1magnesium,430.3810808399999,SXJVFYZNUGGHRG,Terpenoids,Steroids,Stigmastane steroids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 1184,12915,423,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,SXJVFYZNUGGHRG-UHFFFAOYSA-N,"InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3",CCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C,C29H50O2,pos_1_minus1proton1magnesium,430.38108084,SXJVFYZNUGGHRG,Terpenoids,Steroids,Stigmastane steroids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 1185,12915,423,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,SXJVFYZNUGGHRG-PZHNMUJHSA-N,"InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O2,pos_1_minus1proton1magnesium,430.3810808399999,SXJVFYZNUGGHRG,Terpenoids,Steroids,Stigmastane steroids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 1186,12915,423,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,SXJVFYZNUGGHRG-PZHNMUJHSA-N,"InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O2,pos_1_minus1proton1magnesium,430.3810808399999,SXJVFYZNUGGHRG,Terpenoids,Steroids,Stigmastane steroids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 1187,12915,423,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,SXJVFYZNUGGHRG-PZHNMUJHSA-N,"InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H50O2,pos_1_minus1proton1magnesium,430.3810808399999,SXJVFYZNUGGHRG,Terpenoids,Steroids,Stigmastane steroids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 1188,12914,227,Fatty acids,Diterpenoids,Fatty alcohols,0.7357926,ISDB,VNZPJUCTIYWVGR-UHFFFAOYSA-N,"InChI=1S/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(26)21-24(27-2)25(22)28-3/h20-21,26H,4-19H2,1-3H3",CCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1OC,C25H44O3,,392.329045268,VNZPJUCTIYWVGR,Polyketides,Aromatic polyketides,Catechols with side chains,Iris pseudacorus,43059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris pseudacorus'],4,0,6.9431703090667725 1189,12914,227,Fatty acids,Diterpenoids,Fatty alcohols,0.7357926,ISDB,VNZPJUCTIYWVGR-UHFFFAOYSA-N,"InChI=1S/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(26)21-24(27-2)25(22)28-3/h20-21,26H,4-19H2,1-3H3",CCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1OC,C25H44O3,,392.329045268,VNZPJUCTIYWVGR,Polyketides,Aromatic polyketides,Catechols with side chains,Iris sibirica,43087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris sibirica'],4,0,6.9431703090667725 1190,12914,227,Fatty acids,Diterpenoids,Fatty alcohols,0.7357926,ISDB,VNZPJUCTIYWVGR-UHFFFAOYSA-N,"InChI=1S/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(26)21-24(27-2)25(22)28-3/h20-21,26H,4-19H2,1-3H3",CCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1OC,C25H44O3,,392.329045268,VNZPJUCTIYWVGR,Polyketides,Aromatic polyketides,Catechols with side chains,Iris missouriensis,74513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris missouriensis'],4,0,6.9431703090667725 1191,12913,2044,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.40323454,ISDB,,,,,,,OUFXTYDMCQQQPX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6129381656646729 1192,12912,-1,,,,0.76765096,ISDB,NAGBBYZBIQVPIQ-UHFFFAOYSA-N,"InChI=1S/C21H24O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-12,22H,2,5-8H2,1,3-4H3",C=C(C)c1ccc(C)c2oc3cc(CCCCC)cc(O)c3c12,C21H24O2,,308.177630008,NAGBBYZBIQVPIQ,Polyketides,,,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],3,0,6.070603847503662 1193,12911,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.63523144,ISDB,GPFVBJYXFRIOFB-HNBVOPMISA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,9.040925741195679 1194,12911,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.63523144,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,9.040925741195679 1195,12911,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.63523144,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,3,9.040925741195679 1196,12908,456,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.340628,ISDB,,,,,,,DSMUBNDRNPGPEI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3625119924545288 1197,12907,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42486048,ISDB,JAJHTUPNVRLALX-LVFRNNAESA-N,"InChI=1S/C36H58O10/c1-31(2)15-20-19-7-8-23-32(3)11-10-25(46-29-28(42)27(41)26(40)21(17-37)45-29)33(4,18-38)22(32)9-12-35(23,6)34(19,5)13-14-36(20,30(43)44)16-24(31)39/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)/t20?,21-,22?,23?,24+,25?,26-,27+,28-,29+,32?,33+,34?,35?,36?/m1/s1",CC12CCC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@](C)(CO)C1CCC1(C)C2CC=C2C3CC(C)(C)[C@@H](O)CC3(C(=O)O)CCC21C,C36H58O10,,650.4029980560001,JAJHTUPNVRLALX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Luffa aegyptiaca,955527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Luffa'],['Luffa aegyptiaca'],4,3,7.199441909790039 1198,12905,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YWJGYBXHXATAQY-BOTWUFHUSA-N,"InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24+,25+,26-,29-,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@H]54)[C@]3(C)CC[C@H]2C1(C)C,C32H52O2,pos_1_minus1proton1magnesium,468.396730904,YWJGYBXHXATAQY,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],7,2,8.0 1199,12905,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ODSSDTBFHAYYMD-YOJQYFTNSA-N,"InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H52O2,pos_1_minus1proton1magnesium,468.396730904,ODSSDTBFHAYYMD,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,8.0 1200,12905,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UMRPOGLIBDXFNK-ZYGITSNFSA-N,"InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O2,pos_1_minus1proton1magnesium,468.396730904,UMRPOGLIBDXFNK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,8.0 1201,12905,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ODSSDTBFHAYYMD-YOJQYFTNSA-N,"InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H52O2,pos_1_minus1proton1magnesium,468.396730904,ODSSDTBFHAYYMD,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,8.0 1202,12904,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.56841886,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,2,7.273675441741943 1203,12901,-1,,,,0.7227565,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.891026020050049 1204,12900,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7304361,ISDB,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.421744346618652 1205,12900,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7304361,ISDB,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.421744346618652 1206,12897,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5664785,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.765913963317871 1207,12897,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5664785,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.765913963317871 1208,12894,34,Fatty acids,Fatty esters,Fatty acyl carnitines,0.33869305,ISDB,VYEFYAVFLNSXSK-NXOAAHMSSA-N,"InChI=1S/C18H35NO4/c1-14(20)17-12-11-15(19-17)9-7-5-3-2-4-6-8-10-16(21)13-18(22)23/h14-17,19-21H,2-13H2,1H3,(H,22,23)/t14-,15-,16+,17-/m0/s1",C[C@H](O)[C@@H]1CC[C@H](CCCCCCCCC[C@@H](O)CC(=O)O)N1,C18H35NO4,,329.2566086,VYEFYAVFLNSXSK,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],3,0,4.354772210121155 1209,12893,296,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45774403,ISDB,LMNZSAWWQSPBNF-SIKLNZKXSA-N,"InChI=1S/C22H32O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h9-10,14,19H,7-8,11-13H2,1-6H3/t19-,22+/m0/s1",CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C22H32O2,,328.240230264,LMNZSAWWQSPBNF,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,3,8.330976128578186 1210,12892,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.2114663,ISDB,VWXMLZQUDPCJPL-ZDHAIZATSA-N,"InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-",CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C,C40H50O2,,562.38108084,VWXMLZQUDPCJPL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,9.345865190029144 1211,12892,1252,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",0.2114663,ISDB,VWXMLZQUDPCJPL-ZDHAIZATSA-N,"InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-",CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C,C40H50O2,,562.38108084,VWXMLZQUDPCJPL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, ε-ε)",Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,9.345865190029144 1212,12891,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6178537,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.971414804458618 1213,12890,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],6,3,7.5 1214,12889,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45228025,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.309121012687683 1215,12885,57,Terpenoids,Steroids,Cardenolides,0.39517885,ISDB,,,,,,,PJBNDYPBRAIFMX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5807154178619385 1216,12884,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.8094482,ISDB,NIPOOHDDUAPIFF-SDFQJENMSA-N,"InChI=1S/C38H62O11/c1-19(40)46-28-26(43)22(17-39)47-31(27(28)44)48-24-10-12-38-18-37(38)14-13-34(6)30(36(8)11-9-25(49-36)33(4,5)45)21(42)16-35(34,7)23(37)15-20(41)29(38)32(24,2)3/h20-31,39,41-45H,9-18H2,1-8H3/t20-,21-,22+,23-,24-,25-,26+,27+,28-,29-,30-,31-,34+,35-,36+,37-,38+/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O)[C@H]4C2(C)C)O[C@H](CO)[C@H]1O,C38H62O11,,694.429212804,NIPOOHDDUAPIFF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus verrucosus,3925313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus verrucosus'],4,2,8.237792730331421 1217,12883,-1,,,,0.5571337,ISDB,DBCAVZSSFGIHQZ-YLAYQGCQSA-N,"InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1",CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,DBCAVZSSFGIHQZ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],7,0,9.228534698486328 1218,12881,2862,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,XGFDHKJUZCCPKQ-UHFFFAOYSA-N,"InChI=1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3",CCCCCCCCCCCCCCCCCCCO,C19H40O,pos_1_1proton1acetonitrile,284.3079159,XGFDHKJUZCCPKQ,Fatty acids,Fatty acyls,Fatty alcohols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 1219,12880,363,Fatty acids,Fatty amides,Primary amides,0.5690087,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.776034832000732 1220,12879,2177,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5137328,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus macrolepis,216741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus macrolepis'],5,1,7.554931163787842 1221,12879,2177,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5137328,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,1,7.554931163787842 1222,12875,-1,,,,0.808339,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.23335599899292 1223,12874,-1,,,,0.6573495,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,0,6.6293981075286865 1224,12874,-1,,,,0.6573495,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,0,6.6293981075286865 1225,12874,-1,,,,0.6573495,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,0,6.6293981075286865 1226,12874,-1,,,,0.6573495,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.6293981075286865 1227,12874,-1,,,,0.6573495,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,0,6.6293981075286865 1228,12874,-1,,,,0.6573495,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,0,6.6293981075286865 1229,12874,-1,,,,0.6573495,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,0,6.6293981075286865 1230,12872,1395,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BBJQJXRZAZWPBL-SOTYDYGCSA-N,"InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H46O7,pos_2MNa,518.3243538119999,BBJQJXRZAZWPBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 1231,12872,1395,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BBJQJXRZAZWPBL-SOTYDYGCSA-N,"InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H46O7,pos_2MNa,518.3243538119999,BBJQJXRZAZWPBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 1232,12872,1395,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,BBJQJXRZAZWPBL-SOTYDYGCSA-N,"InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H46O7,pos_2MNa,518.3243538119999,BBJQJXRZAZWPBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,3,7.5 1233,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AOHIGMQGPFTKQX-QZPKXHNASA-N,"InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H46O7,pos_2MHNH3,518.3243538119999,AOHIGMQGPFTKQX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus capitatus,840670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus capitatus'],6,1,6.5 1234,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,BBJQJXRZAZWPBL-SOTYDYGCSA-N,"InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H46O7,pos_2MHNH3,518.3243538119999,BBJQJXRZAZWPBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,1,6.5 1235,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-NQVBXAEWSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119998,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 1236,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-NQVBXAEWSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119998,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 1237,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-UHFFFAOYSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O,C30H46O7,pos_2MHNH3,518.324353812,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 1238,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-LQXQUUHISA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119999,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 1239,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-LQXQUUHISA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119999,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,1,6.5 1240,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-UHFFFAOYSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O,C30H46O7,pos_2MHNH3,518.324353812,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,1,6.5 1241,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-NQVBXAEWSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119998,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 1242,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-NQVBXAEWSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119998,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 1243,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-UHFFFAOYSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O,C30H46O7,pos_2MHNH3,518.324353812,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 1244,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-LQXQUUHISA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119999,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 1245,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-LQXQUUHISA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119999,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,1,6.5 1246,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,BBJQJXRZAZWPBL-SOTYDYGCSA-N,"InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H46O7,pos_2MHNH3,518.3243538119999,BBJQJXRZAZWPBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,1,6.5 1247,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-UHFFFAOYSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O,C30H46O7,pos_2MHNH3,518.324353812,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,1,6.5 1248,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-NQVBXAEWSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119998,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 1249,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-UHFFFAOYSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O,C30H46O7,pos_2MHNH3,518.324353812,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 1250,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-LQXQUUHISA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119999,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 1251,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-LQXQUUHISA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119999,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,1,6.5 1252,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-UHFFFAOYSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O,C30H46O7,pos_2MHNH3,518.324353812,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,1,6.5 1253,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AOHIGMQGPFTKQX-QZPKXHNASA-N,"InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H46O7,pos_2MHNH3,518.3243538119999,AOHIGMQGPFTKQX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,1,6.5 1254,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AOHIGMQGPFTKQX-QZPKXHNASA-N,"InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H46O7,pos_2MHNH3,518.3243538119999,AOHIGMQGPFTKQX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,1,6.5 1255,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AOHIGMQGPFTKQX-QZPKXHNASA-N,"InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H46O7,pos_2MHNH3,518.3243538119999,AOHIGMQGPFTKQX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,1,6.5 1256,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AOHIGMQGPFTKQX-QZPKXHNASA-N,"InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H46O7,pos_2MHNH3,518.3243538119999,AOHIGMQGPFTKQX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus capitatus,840670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus capitatus'],6,1,6.5 1257,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AOHIGMQGPFTKQX-QZPKXHNASA-N,"InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H46O7,pos_2MHNH3,518.3243538119999,AOHIGMQGPFTKQX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Physocarpus opulifolius,769165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus opulifolius'],6,1,6.5 1258,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AOHIGMQGPFTKQX-QZPKXHNASA-N,"InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H46O7,pos_2MHNH3,518.3243538119999,AOHIGMQGPFTKQX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,1,6.5 1259,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,AOHIGMQGPFTKQX-QZPKXHNASA-N,"InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H46O7,pos_2MHNH3,518.3243538119999,AOHIGMQGPFTKQX,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,1,6.5 1260,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,FYGSMJAMPMZYFS-NQVBXAEWSA-N,"InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H46O7,pos_2MHNH3,518.3243538119998,FYGSMJAMPMZYFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 1261,12871,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,BBJQJXRZAZWPBL-SOTYDYGCSA-N,"InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H46O7,pos_2MHNH3,518.3243538119999,BBJQJXRZAZWPBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,1,6.5 1262,12870,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.39535272,ISDB,WJMMBVSOQPALFO-DLQTVUGOSA-N,"InChI=1S/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O9,,634.4080834360001,WJMMBVSOQPALFO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,3,8.081410884857178 1263,12868,-1,,,,0.7415606,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,6.96624231338501 1264,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus libani,608496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus libani'],5,3,8.773173093795776 1265,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.773173093795776 1266,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix gmelinii var. olgensis,70975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.773173093795776 1267,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],5,3,8.773173093795776 1268,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],5,3,8.773173093795776 1269,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.773173093795776 1270,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.773173093795776 1271,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,3,8.773173093795776 1272,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.773173093795776 1273,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.773173093795776 1274,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.773173093795776 1275,12867,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5682933,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.773173093795776 1276,12866,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.58962333,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,2,9.358493328094482 1277,12865,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.28048962,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.621958494186401 1278,12861,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,DQVGVYRSVYCJRR-AXRVZGOCSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H74N4O5,pos_2MCa,870.565921468,DQVGVYRSVYCJRR,Alkaloids,,,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],6,0,6.0 1279,12861,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_2MCa,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],6,0,6.0 1280,12854,-1,,,,0.6615292,ISDB,JDYQUVYFBYLQIM-CNNODRBYSA-N,"InChI=1S/C22H34O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h8,14,18-19H,7,9-13H2,1-6H3/t18-,19-,22+/m0/s1",CC(=O)OC(C)(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C22H34O2,,330.255880328,JDYQUVYFBYLQIM,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,0,7.646116733551025 1281,12852,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5712573,ISDB,ISHVJVXYPLFKAL-AZUAARDMSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,2,10.285029172897339 1282,12851,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3703814,ISDB,,,,,,,WWPWXPDINJEJPN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4815256595611572 1283,12849,2731,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3765148,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,8.006059169769287 1284,12846,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31973302,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.778932094573975 1285,12846,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31973302,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.778932094573975 1286,12844,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38071895,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.022875785827637 1287,12841,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.3279732,ISDB,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],3,3,5.811892747879028 1288,12840,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.65786034,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.631441354751587 1289,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1290,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1291,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 1292,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1293,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1294,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 1295,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1296,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1297,12835,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1298,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1299,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1300,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1301,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 1302,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 1303,12835,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1304,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1305,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1306,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1307,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1308,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1309,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 1310,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1sodium,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 1311,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1312,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1313,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1314,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1315,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1316,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 1317,12835,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1318,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1319,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 1320,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1321,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1322,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1323,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1324,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1325,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1326,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1327,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1328,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1329,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1sodium,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 1330,12835,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 1331,12834,3584,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.621735,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.986939907073975 1332,12833,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37898934,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.015957355499268 1333,12832,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2017347,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,1,2.3069388270378113 1334,12832,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2017347,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,1,2.3069388270378113 1335,12832,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2017347,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,1,2.3069388270378113 1336,12832,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2017347,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Eupentacta fraudatrix,3652496.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Sclerodactylidae'],['Unknown'],['Eupentacta'],['Eupentacta fraudatrix'],1,1,2.3069388270378113 1337,12832,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2017347,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Gorgonocephalus eucnemis,2114.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Ophiuroidea'],['Euryalida'],['Gorgonocephalidae'],['Unknown'],['Gorgonocephalus'],['Gorgonocephalus eucnemis'],1,1,2.3069388270378113 1338,12832,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2017347,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Ophiura sarsii,1076435.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Ophiuroidea'],['Ophiurida'],['Ophiuridae'],['Unknown'],['Ophiura'],['Ophiura sarsii'],1,1,2.3069388270378113 1339,12832,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2017347,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Ophiura sarsi,1076435.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Ophiuroidea'],['Ophiurida'],['Ophiuridae'],['Unknown'],['Ophiura'],['Ophiura sarsii'],1,1,2.3069388270378113 1340,12832,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2017347,ISDB,BHYOQNUELFTYRT-UHFFFAOYSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,C27H46O4S,,466.311680952,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Ophiura leptoctenia,3654690.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Ophiuroidea'],['Ophiurida'],['Ophiuridae'],['Unknown'],['Ophiura'],['Ophiura leptoctenia'],1,1,2.3069388270378113 1341,12831,1929,Terpenoids,Triterpenoids,Serratane triterpenoids,0.67323303,ISDB,SAARWBTZIDPOGF-KHEQSPFKSA-N,"InChI=1S/C32H46O4/c1-20(33)35-24-10-9-22-21(27(24,4)5)11-12-32-29(22,7)16-18-31(25(34)36-32)23-19-26(2,3)13-14-28(23,6)15-17-30(31,32)8/h11-12,23-24H,9-10,13-19H2,1-8H3/t23-,24+,28-,29+,30+,31+,32-/m1/s1",CC(=O)O[C@H]1CCC2=C(C=C[C@@]34OC(=O)[C@]5(CC[C@@]23C)[C@@H]2CC(C)(C)CC[C@]2(C)CC[C@]45C)C1(C)C,C32H46O4,,494.339609952,SAARWBTZIDPOGF,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Phyllanthus myrtifolius,411887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus myrtifolius'],3,2,6.69293212890625 1342,12830,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.31663033,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,8.766521334648132 1343,12830,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.31663033,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,8.766521334648132 1344,12830,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.31663033,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,8.766521334648132 1345,12829,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65543884,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,9.121755361557007 1346,12828,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UMLDOSNQGZWGBQ-AHQCWXFASA-N,"InChI=1S/C30H42O4/c1-7-22(2)9-15-26-29(4)19-8-18-28(3,25(29)17-20-30(26,5)32)21-34-27(31)16-12-23-10-13-24(33-6)14-11-23/h7,10-14,16,25-26,32H,1-2,8-9,15,17-21H2,3-6H3/b16-12+/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O,C30H42O4,pos_1_1proton,466.30830982399993,UMLDOSNQGZWGBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,2,8.0 1347,12826,2780,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.31225824,ISDB,PMKFHUDSBGNHST-UHFFFAOYSA-N,"InChI=1S/C29H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-27(2)31-29(28)30/h4-5,7-8,10-11,13-14,16-17,19-20,26H,2-3,6,9,12,15,18,21-25H2,1H3",C=C1C=C(CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)C(=O)O1,C29H40O2,,420.30283052,PMKFHUDSBGNHST,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pinnigorgia flava,169634.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Pinnigorgia'],['Pinnigorgia flava'],1,3,3.749032974243164 1348,12826,2780,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.31225824,ISDB,PMKFHUDSBGNHST-UHFFFAOYSA-N,"InChI=1S/C29H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-27(2)31-29(28)30/h4-5,7-8,10-11,13-14,16-17,19-20,26H,2-3,6,9,12,15,18,21-25H2,1H3",C=C1C=C(CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)C(=O)O1,C29H40O2,,420.30283052,PMKFHUDSBGNHST,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Plexaura flava,3677595.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaura'],['Plexaura flava'],1,3,3.749032974243164 1349,12825,749,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5645239,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.7580955028533936 1350,12822,-1,,,,0.6257032,ISDB,RRIHUBBCYOKLFC-XZELNKRSSA-N,"InChI=1S/C30H48N2O5/c1-9-16(2)27(35)31-25-23(34)15-29(6)22-12-13-28(5)20(17(3)32(7)8)10-11-21(28)19(22)14-24-30(29,37-24)26(25)36-18(4)33/h9,17,19-26,34H,10-15H2,1-8H3,(H,31,35)/b16-9+/t17-,19-,20+,21-,22-,23-,24-,25-,26-,28+,29+,30+/m0/s1",C/C=C(\C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32[C@H]1OC(C)=O,C30H48N2O5,,516.356322636,RRIHUBBCYOKLFC,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],3,0,5.50281286239624 1351,12821,-1,,,,0.0,MS1_match,HERXBCLHJIOULK-LLUXHYQXSA-N,"InChI=1S/C29H46O4/c1-16(2)18-7-12-29(25(32)33)14-13-27(5)20(23(18)29)15-22(31)24-26(4)10-9-21(30)17(3)19(26)8-11-28(24,27)6/h17-24,30-31H,1,7-15H2,2-6H3,(H,32,33)/t17-,18-,19-,20+,21+,22+,23+,24+,26-,27+,28+,29-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@H](C)[C@@H]5CC[C@]43C)[C@@H]12,C29H46O4,pos_1_1proton,458.339609952,HERXBCLHJIOULK,Terpenoids,Triterpenoids,Lupane triterpenoids,Eleutherococcus trifoliatus,532569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus trifoliatus'],7,0,7.0 1352,12819,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31106076,ISDB,PUSNSFIJAMTISX-LQOHYYORSA-N,"InChI=1S/C24H42N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h6,8,19-20H,4-5,7,9-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/b8-6-/t20-/m1/s1",CC(C)CCC/C=C\CCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O,C24H42N4O4,,450.320605824,PUSNSFIJAMTISX,Fatty acids,Fatty amides,N-acyl amines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.2442430257797241 1353,12818,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.649626,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.098504066467285 1354,12817,2044,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4037714,ISDB,,,,,,,OUFXTYDMCQQQPX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6150856018066406 1355,12816,1593,Polyketides,Meroterpenoids,,0.5104333,ISDB,PGRGQPDRHGOZHE-KQNCMUCESA-N,"InChI=1S/C23H30O2/c1-13(2)18-7-6-14(3)19-9-16-10-20-15(4)8-17(24)11-22(20)25-23(16,5)12-21(18)19/h6,8,11,16,18-19,21,24H,1,7,9-10,12H2,2-5H3/t16-,18+,19+,21+,23-/m0/s1",C=C(C)[C@H]1CC=C(C)[C@H]2C[C@H]3Cc4c(C)cc(O)cc4O[C@@]3(C)C[C@H]12,C23H30O2,,338.2245802,PGRGQPDRHGOZHE,Polyketides,Meroterpenoids,,Diaporthe tersa,219950.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Diaporthaceae'],['Unknown'],['Phomopsis'],['Phomopsis tersa'],1,2,4.041733264923096 1356,12809,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4294381,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,2,7.717752456665039 1357,12809,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4294381,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella esculenta,223079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella esculenta'],5,2,7.717752456665039 1358,12809,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4294381,ISDB,RWNHLTKFBKYDOJ-WLVUEYHVSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis fissa,651161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis fissa'],5,2,7.717752456665039 1359,12809,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4294381,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,7.717752456665039 1360,12809,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4294381,ISDB,RWNHLTKFBKYDOJ-IJDLJTCJSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19?,20-,21?,22?,23+,26+,27+,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1,C30H48O5,,488.350174636,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,2,7.717752456665039 1361,12809,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4294381,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,7.717752456665039 1362,12809,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4294381,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica gale,79360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica gale'],5,2,7.717752456665039 1363,12808,347,Terpenoids,Triterpenoids,Cholestane steroids,0.49533513,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,7.481340527534485 1364,12807,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4287931,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.215172410011292 1365,12807,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4287931,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.215172410011292 1366,12804,749,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.38054287,ISDB,,,,,,,CEKIFRQTNCLAOR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5221714973449707 1367,12799,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4064205,ISDB,MYAWJBMPYZSXJY-IFXUOYRRSA-N,"InChI=1S/C40H62O13/c1-20-8-13-40(35(48)49)15-14-38(4)21(22(40)16-20)6-7-26-36(2)11-10-27(37(3,19-42)25(36)9-12-39(26,38)5)52-33-31(47)32(23(43)18-50-33)53-34-30(46)29(45)28(44)24(17-41)51-34/h6,22-34,41-47H,1,7-19H2,2-5H3,(H,48,49)/t22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33-,34+,36+,37+,38-,39-,40+/m1/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1,C40H62O13,,750.419042044,MYAWJBMPYZSXJY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia quinata,303954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia quinata'],4,3,7.12568199634552 1368,12798,1010,Terpenoids,Steroids,Catechols with side chains,0.38844886,ISDB,BENPXLIQKFYNHW-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1,C27H46O3,,418.344695332,BENPXLIQKFYNHW,Polyketides,Aromatic polyketides,Catechols with side chains,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],3,3,6.0537954568862915 1369,12798,1010,Terpenoids,Steroids,Catechols with side chains,0.38844886,ISDB,BENPXLIQKFYNHW-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3",CCCCCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(O)c1,C27H46O3,,418.344695332,BENPXLIQKFYNHW,Polyketides,Aromatic polyketides,Catechols with side chains,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],3,3,6.0537954568862915 1370,12795,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.421645,ISDB,IXGDAVSSYHYPJX-GNQOIDSESA-N,"InChI=1S/C51H78O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,29,31,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-28,30,32-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C51H78O15,,930.534071796,IXGDAVSSYHYPJX,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,3,4.186579942703247 1371,12794,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21210541,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,3,6.348421633243561 1372,12794,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21210541,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,3,6.348421633243561 1373,12792,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21830915,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,5.37323659658432 1374,12792,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21830915,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,5.37323659658432 1375,12792,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21830915,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,5.37323659658432 1376,12791,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47795296,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.411811828613281 1377,12791,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47795296,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.411811828613281 1378,12789,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.39247254,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,3,10.069890141487122 1379,12788,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.4155604,ISDB,IXGDAVSSYHYPJX-GNQOIDSESA-N,"InChI=1S/C51H78O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,29,31,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-28,30,32-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC,C51H78O15,,930.534071796,IXGDAVSSYHYPJX,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Heterocapsa circularisquama,817277.0,['Eukaryota'],['Unknown'],['Unknown'],['Dinophyceae'],['Peridiniales'],['Unknown'],['Unknown'],['Heterocapsa'],['Heterocapsa circularisquama'],1,3,4.162241578102112 1380,12784,-1,,,,0.47090876,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,8.8836350440979 1381,12784,-1,,,,0.47090876,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,8.8836350440979 1382,12784,-1,,,,0.47090876,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,8.8836350440979 1383,12784,-1,,,,0.47090876,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.8836350440979 1384,12784,-1,,,,0.47090876,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.8836350440979 1385,12782,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.25448522,ISDB,JZYNFCPCWFSNOL-XXOXUEAOSA-N,"InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32-,33+,34+,35+,36+,39-,40-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@H]21,C40H56O4,,600.417860272,JZYNFCPCWFSNOL,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],5,1,6.517940878868103 1386,12782,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.25448522,ISDB,JZYNFCPCWFSNOL-LXBJXQDPSA-N,"InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32+,33-,34-,35-,36-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@H]21,C40H56O4,,600.417860272,JZYNFCPCWFSNOL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,1,6.517940878868103 1387,12781,57,Terpenoids,Steroids,Cardenolides,0.28569078,ISDB,JYYLVKVSISBOTC-CKSMYIALSA-N,"InChI=1S/C37H58O13/c1-32(30(46)48-6)9-11-37(31(47)50-29-26(44)25(43)24(42)22(16-38)49-29)12-10-35(4)18(19(37)14-32)13-20(40)27-33(2)15-21(41)28(45)34(3,17-39)23(33)7-8-36(27,35)5/h13,19-29,38-45H,7-12,14-17H2,1-6H3/t19-,20+,21-,22+,23+,24+,25-,26+,27+,28-,29-,32-,33-,34-,35+,36+,37-/m0/s1",COC(=O)[C@@]1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C37H58O13,,710.387741916,JYYLVKVSISBOTC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phytolacca americana,216619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Phytolaccaceae'],['Unknown'],['Phytolacca'],['Phytolacca americana'],4,1,5.642763137817383 1388,12774,-1,,,,0.0,MS1_match,JLJPBXMYIMNQDP-GHBHEEBMSA-N,"InChI=1S/C34H54O4/c1-21-11-15-27-31(5,6)29(37-23(3)35)17-19-33(27,9)25(21)13-14-26-22(2)12-16-28-32(7,8)30(38-24(4)36)18-20-34(26,28)10/h25-30H,1-2,11-20H2,3-10H3/t25-,26+,27-,28+,29-,30-,33+,34+/m0/s1",C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]12C,C34H54O4,pos_1_1proton,526.402210208,JLJPBXMYIMNQDP,Terpenoids,Triterpenoids,Onocerane triterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 1389,12773,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.60012823,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.900512933731079 1390,12771,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.60841507,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.433660268783569 1391,12771,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.60841507,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.433660268783569 1392,12769,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 1393,12766,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3480296,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,9.892118453979492 1394,12765,-1,,,,0.5918405,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.367362022399902 1395,12761,585,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.32000372,ISDB,RLFCGSUEMADNOF-MRTFXUHKSA-N,"InChI=1S/C41H64O10/c1-12-24(6)34(45)37(47)51-31-19-30(38(7,8)48)39(9,16-15-32(42)43)35-28(50-36(46)33(44)23(4)5)20-40(10)27(13-14-29(40)41(31,35)11)25-18-26(49-21-25)17-22(2)3/h12,14,17,23,25-28,30-31,33-35,44-45,48H,13,15-16,18-21H2,1-11H3,(H,42,43)/b24-12+/t25-,26-,27+,28-,30+,31-,33-,34-,35-,39+,40+,41-/m1/s1",C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]2[C@H](OC(=O)[C@H](O)C(C)C)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@@]21C,C41H64O10,,716.449948248,RLFCGSUEMADNOF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aglaia argentea,627552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia argentea'],4,3,6.780014872550964 1396,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-BEYQCJBTSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rehmannia glutinosa,164453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Unknown'],['Rehmannia'],['Rehmannia glutinosa'],3,3,6.151334166526794 1397,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-UHFFFAOYSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)",CCCCCCCCCC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],3,3,6.151334166526794 1398,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rosa chinensis var. spontanea,489296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa chinensis'],3,3,6.151334166526794 1399,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],3,3,6.151334166526794 1400,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],3,3,6.151334166526794 1401,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-ZEWTVFGKSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],3,3,6.151334166526794 1402,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],3,3,6.151334166526794 1403,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-OMWTXZRHSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32?,33-,34-,35-,36-,37+,38-,40+/m1/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],3,3,6.151334166526794 1404,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-UYIJODJPSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26-",CCCCCCCCC/C=C\CC/C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Albizia kalkora,78703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia kalkora'],3,3,6.151334166526794 1405,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],3,3,6.151334166526794 1406,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],3,3,6.151334166526794 1407,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],3,3,6.151334166526794 1408,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],3,3,6.151334166526794 1409,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-PNBHDEFOSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33-,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia platyphyllos,935918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia platyphyllos'],3,3,6.151334166526794 1410,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Allium tuberosum,748374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium tuberosum'],3,3,6.151334166526794 1411,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia peplis,587391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplis'],3,3,6.151334166526794 1412,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],3,3,6.151334166526794 1413,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Dioscorea oppositifolia,981893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea oppositifolia'],3,3,6.151334166526794 1414,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Dactylorhiza durandii,3971484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Orchideae'],['Dactylorhiza'],['Dactylorhiza durandii'],3,3,6.151334166526794 1415,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Dactylorhiza hatagirea,3971505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Orchideae'],['Dactylorhiza'],['Dactylorhiza hatagirea'],3,3,6.151334166526794 1416,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,6.151334166526794 1417,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rourea minor,676063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Connaraceae'],['Unknown'],['Rourea'],['Rourea minor'],3,3,6.151334166526794 1418,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-UHFFFAOYSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)",CCCCCCCCCC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],3,3,6.151334166526794 1419,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-JUYJVKPYSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36-,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Psychotria correae,271481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria correae'],3,3,6.151334166526794 1420,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Dimocarpus fumatus,5747888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Unknown'],['Dimocarpus'],['Dimocarpus fumatus'],3,3,6.151334166526794 1421,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Dactylorhiza majalis,217764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Orchideae'],['Dactylorhiza'],['Dactylorhiza majalis'],3,3,6.151334166526794 1422,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-RZGXGQPASA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32?,33-,34-,35-,36-,37+,38-,40+/m1/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Cibotium barometz,765288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Cyatheales'],['Cibotiaceae'],['Unknown'],['Cibotium'],['Cibotium barometz'],3,3,6.151334166526794 1423,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],3,3,6.151334166526794 1424,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Nephelium ramboutan-ake,608419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Unknown'],['Nephelium'],['Nephelium ramboutan-ake'],3,3,6.151334166526794 1425,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Dimocarpus longan,80783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Unknown'],['Dimocarpus'],['Dimocarpus longan'],3,3,6.151334166526794 1426,12753,1836,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.41283354,ISDB,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Arisaema amurense,727020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Arisaemateae'],['Arisaema'],['Arisaema amurense'],3,3,6.151334166526794 1427,12752,226,Fatty acids,Sphingolipids,Ceramides,0.53593695,ISDB,KDJJIDJLVVZMJR-KUIYMZJFSA-N,"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC,C34H65NO4,,551.49135956,KDJJIDJLVVZMJR,Fatty acids,Sphingolipids,Ceramides,Hohenbuehelia serotina,417404.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Panellus'],['Sarcomyxa serotina'],1,3,4.643747806549072 1428,12752,226,Fatty acids,Sphingolipids,Ceramides,0.53593695,ISDB,KDJJIDJLVVZMJR-KUIYMZJFSA-N,"InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1",CCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC,C34H65NO4,,551.49135956,KDJJIDJLVVZMJR,Fatty acids,Sphingolipids,Ceramides,Panellus serotinus,417404.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Panellus'],['Sarcomyxa serotina'],1,3,4.643747806549072 1429,12751,-1,,,,0.22556521,ISDB,NMNCVLXWLPXGJU-UHFFFAOYSA-N,"InChI=1S/C24H32O5/c1-4-6-8-10-17-12-19(25)15-21(13-17)29-24(27)23-18(11-9-7-5-2)14-20(28-3)16-22(23)26/h12-16,25-26H,4-11H2,1-3H3",CCCCCc1cc(O)cc(OC(=O)c2c(O)cc(OC)cc2CCCCC)c1,C24H32O5,,400.224974124,NMNCVLXWLPXGJU,Polyketides,Aromatic polyketides,Depsides,Xanthoparmelia depsidella,3771300.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Xanthoparmelia'],['Xanthoparmelia depsidella'],1,0,1.9022608399391174 1430,12749,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6088485,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum cyrtophyllum,886107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum cyrtophyllum'],4,3,7.935394048690796 1431,12749,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6088485,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.935394048690796 1432,12739,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6081243,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum cyrtophyllum,886107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum cyrtophyllum'],4,3,7.932497262954712 1433,12739,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6081243,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.932497262954712 1434,12731,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6088638,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum cyrtophyllum,886107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum cyrtophyllum'],4,3,7.935455083847046 1435,12731,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6088638,ISDB,BDUAKLHVCJVMNM-UHFFFAOYSA-N,"InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37-38H,1,10-12H2,2-8H3",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4C(=O)OC)C(CCC(=O)OC)C3C,C36H38N4O5,,606.2842203160001,BDUAKLHVCJVMNM,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,3,7.935455083847046 1436,12729,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5685286,ISDB,PKVXBEIZHOIXQK-VGKWMKFWSA-N,"InChI=1S/C32H46O11/c1-16-25(35)26(36)27(37)28(41-16)43-19-7-10-29(3)21(13-19)22(42-17(2)33)14-31(38)23(29)9-11-30(4)20(8-12-32(30,31)39)18-5-6-24(34)40-15-18/h5-6,15-16,19-23,25-28,35-39H,7-14H2,1-4H3/t16-,19-,20+,21+,22+,23+,25-,26+,27-,28-,29-,30+,31-,32+/m0/s1",CC(=O)O[C@@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@@]32O)[C@@]2(C)CC[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]12,C32H46O11,,606.304012292,PKVXBEIZHOIXQK,Terpenoids,Steroids,Bufadienolides,Drimia maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,1,5.774114370346069 1437,12729,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5685286,ISDB,PKVXBEIZHOIXQK-VGKWMKFWSA-N,"InChI=1S/C32H46O11/c1-16-25(35)26(36)27(37)28(41-16)43-19-7-10-29(3)21(13-19)22(42-17(2)33)14-31(38)23(29)9-11-30(4)20(8-12-32(30,31)39)18-5-6-24(34)40-15-18/h5-6,15-16,19-23,25-28,35-39H,7-14H2,1-4H3/t16-,19-,20+,21+,22+,23+,25-,26+,27-,28-,29-,30+,31-,32+/m0/s1",CC(=O)O[C@@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@@]32O)[C@@]2(C)CC[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]12,C32H46O11,,606.304012292,PKVXBEIZHOIXQK,Terpenoids,Steroids,Bufadienolides,Urginea maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,1,5.774114370346069 1438,12728,-1,,,,0.3028358,ISDB,LFFWSHPNTNUPEV-SESAENPMSA-N,"InChI=1S/C33H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h9-10,12-13,21,23-25,29H,2,5-8,11,14-20,22,26H2,1,3-4H3/b10-9-,13-12-/t29-/m0/s1",C=C(C)[C@@H]1C=C2C(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)=CC=C2C(C)=CC1,C33H48O2,,476.365430776,LFFWSHPNTNUPEV,Terpenoids,Diterpenoids,Pseudopterane diterpenoids,Lactarius deterrimus,558125.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius deterrimus'],1,0,2.2113431692123413 1439,12728,-1,,,,0.3028358,ISDB,LFFWSHPNTNUPEV-SESAENPMSA-N,"InChI=1S/C33H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h9-10,12-13,21,23-25,29H,2,5-8,11,14-20,22,26H2,1,3-4H3/b10-9-,13-12-/t29-/m0/s1",C=C(C)[C@@H]1C=C2C(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)=CC=C2C(C)=CC1,C33H48O2,,476.365430776,LFFWSHPNTNUPEV,Terpenoids,Diterpenoids,Pseudopterane diterpenoids,Lactarius deliciosus,54236.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius deliciosus'],1,0,2.2113431692123413 1440,12724,909,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37390372,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,9.995614886283875 1441,12717,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5657842,ISDB,XCHARIIIZLLEBL-UHFFFAOYSA-N,"InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1,C36H56O11,,664.382262612,XCHARIIIZLLEBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],4,3,7.763136863708496 1442,12717,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5657842,ISDB,XCHARIIIZLLEBL-UHFFFAOYSA-N,"InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1,C36H56O11,,664.382262612,XCHARIIIZLLEBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],4,3,7.763136863708496 1443,12717,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5657842,ISDB,XCHARIIIZLLEBL-HXZZEOLJSA-N,"InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O11,,664.3822626119999,XCHARIIIZLLEBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Medicago hybrida,292219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago hybrida'],4,3,7.763136863708496 1444,12717,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5657842,ISDB,XCHARIIIZLLEBL-DSIYLKOUSA-N,"InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21-,22-,23-,24-,25+,26-,27+,28+,32-,33-,34-,35+,36+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]2C1,C36H56O11,,664.382262612,XCHARIIIZLLEBL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Dolichos kilimandscharicus,68702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Dolichos'],['Dolichos kilimandscharicus'],4,3,7.763136863708496 1445,12715,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.39107093,ISDB,ZEFDQPPZEFOVSL-IGJPSDKNSA-N,"InChI=1S/C26H42O3/c1-16(27)18-10-14-25(6)19(18)8-9-21-24(5)13-12-22(29-17(2)28)23(3,4)20(24)11-15-26(21,25)7/h18-22H,8-15H2,1-7H3/t18-,19-,20-,21-,22+,24+,25-,26-/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H](C(C)=O)CC[C@]23C)C1(C)C,C26H42O3,,402.313395204,ZEFDQPPZEFOVSL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Ficus fistulosa,116272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus fistulosa'],4,3,7.064283728599548 1446,12715,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.39107093,ISDB,ZEFDQPPZEFOVSL-ALVYHVGUSA-N,"InChI=1S/C26H42O3/c1-16(27)18-10-14-25(6)19(18)8-9-21-24(5)13-12-22(29-17(2)28)23(3,4)20(24)11-15-26(21,25)7/h18-22H,8-15H2,1-7H3/t18-,19-,20+,21-,22+,24+,25-,26-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H](C(C)=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C26H42O3,,402.313395204,ZEFDQPPZEFOVSL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Ficus pumila,734180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus pumila'],4,3,7.064283728599548 1447,12714,3158,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9075343,ISDB,CNNSEHUKQJCGTE-UPPWDXJYSA-N,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,25,27,40H,6-13,15,17-19,22-24,26,28-39H2,1-5H3/b16-14-,21-20-,27-25-/t40-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C42H78NO8P,,755.546505086,CNNSEHUKQJCGTE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,6.130137205123901 1448,12709,1593,Polyketides,Meroterpenoids,,0.4227555,ISDB,,,,,,,QWMMZXHJINOJSZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6910220384597778 1449,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.487146735191345 1450,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.487146735191345 1451,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.487146735191345 1452,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.487146735191345 1453,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.487146735191345 1454,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.487146735191345 1455,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.487146735191345 1456,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.487146735191345 1457,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.487146735191345 1458,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.487146735191345 1459,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.487146735191345 1460,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.487146735191345 1461,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.487146735191345 1462,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.487146735191345 1463,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.487146735191345 1464,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.487146735191345 1465,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.487146735191345 1466,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.487146735191345 1467,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.487146735191345 1468,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.487146735191345 1469,12708,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49678668,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.487146735191345 1470,12706,-1,,,,0.0,MS1_match,BABFYBAGZXSUDH-XQMUNQBCSA-N,"InChI=1S/C21H36O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-21(25)26-18-20(24)17-22/h7,9,12,15,20,22,24H,2-6,8,10-11,13-14,16-18H2,1H3/b9-7+,15-12+/t20-/m1/s1",CCCCCC(=O)/C=C/C=C/CCCCCCCC(=O)OC[C@H](O)CO,C21H36O5,pos_2MH,368.256274252,BABFYBAGZXSUDH,Fatty acids,Glycerolipids,Monoacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 1471,12706,-1,,,,0.0,MS1_match,KZTSLHQKWLYYAC-GOSISDBHSA-N,"InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3/t18-/m1/s1",CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@@H](CO)OC1=O,C21H36O5,pos_2MH,368.256274252,KZTSLHQKWLYYAC,Amino acids and Peptides,Linear polyketides,3-acyl tetramic acids,Erythrina abyssinica,3921472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina abyssinica'],6,0,6.0 1472,12706,-1,,,,0.0,MS1_match,JQIUXUDRBWTUPQ-GDXXYQEHSA-N,"InChI=1S/C21H36O5/c1-2-3-4-5-6-8-11-14-19(23)15-12-9-7-10-13-16-21(25)26-18-20(24)17-22/h6,8,11,14,20,22,24H,2-5,7,9-10,12-13,15-18H2,1H3/b8-6-,14-11+/t20-/m1/s1",CCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)OC[C@H](O)CO,C21H36O5,pos_2MH,368.256274252,JQIUXUDRBWTUPQ,Fatty acids,Glycerolipids,Monoacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 1473,12704,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.3823111,ISDB,,,,,,,RZJRSLSILNJHCP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5292444229125977 1474,12699,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-YDZYAZLNSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_1proton2acetonitrile,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,2,7.0 1475,12699,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-WCBDFPTQSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_1proton2acetonitrile,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,2,7.0 1476,12698,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54555815,ISDB,ODFCWXVQZAQDSO-CMKODMSKSA-N,"InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C20H30O2,,302.2245802,ODFCWXVQZAQDSO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.18223261833191 1477,12697,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44129586,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.265183448791504 1478,12692,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.43783972,ISDB,CBXQOLAGWKNVAH-URYCBDTRSA-N,"InChI=1S/C38H60O11/c1-19-11-14-38(32(45)47-18-23-26(40)27(41)28(42)31(44)49-23)16-15-35(6)21(29(38)37(19,8)46)9-10-25-34(5)17-22(48-20(2)39)30(43)33(3,4)24(34)12-13-36(25,35)7/h9,19,22-31,40-44,46H,10-18H2,1-8H3/t19-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31-,34+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@](C(=O)OC[C@H]6O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]6O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O,C38H60O11,,692.41356274,CBXQOLAGWKNVAH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus cochinchinensis,538507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus cochinchinensis'],4,2,6.751358866691589 1479,12691,490,Terpenoids,Triterpenoids,Lupane triterpenoids,0.38030145,ISDB,XFGCWXJSPYRAAG-IJVYCZBBSA-N,"InChI=1S/C32H52O3/c1-20(33)35-24-12-13-29(6)22(28(24,4)5)11-14-31(8)23(29)10-9-21-25-26-27(2,3)15-17-32(25,19-34-26)18-16-30(21,31)7/h21-26H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,26-,29+,30-,31-,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O3,,484.391645524,XFGCWXJSPYRAAG,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.02120578289032 1480,12690,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.57373774,ISDB,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,3,10.79495096206665 1481,12690,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.57373774,ISDB,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula alleghaniensis,452595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alleghaniensis'],7,3,10.79495096206665 1482,12689,441,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.3046337,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Enterococcus faecium,594429.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Enterococcaceae'],['Unknown'],['Enterococcus'],['Enterococcus faecium'],0,3,2.718534827232361 1483,12689,441,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.3046337,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Staphylococcus aureus,1090496.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Staphylococcaceae'],['Unknown'],['Staphylococcus'],['Staphylococcus aureus'],0,3,2.718534827232361 1484,12688,222,,,,0.29940853,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],4,0,5.1976341009140015 1485,12684,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20249383,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,1,2.309975326061249 1486,12684,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20249383,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,1,2.309975326061249 1487,12684,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20249383,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,1,2.309975326061249 1488,12684,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20249383,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Eupentacta fraudatrix,3652496.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Sclerodactylidae'],['Unknown'],['Eupentacta'],['Eupentacta fraudatrix'],1,1,2.309975326061249 1489,12684,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20249383,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Gorgonocephalus eucnemis,2114.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Ophiuroidea'],['Euryalida'],['Gorgonocephalidae'],['Unknown'],['Gorgonocephalus'],['Gorgonocephalus eucnemis'],1,1,2.309975326061249 1490,12684,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20249383,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Ophiura sarsii,1076435.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Ophiuroidea'],['Ophiurida'],['Ophiuridae'],['Unknown'],['Ophiura'],['Ophiura sarsii'],1,1,2.309975326061249 1491,12684,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20249383,ISDB,BHYOQNUELFTYRT-DPAQBDIFSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H46O4S,,466.3116809519999,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Ophiura sarsi,1076435.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Ophiuroidea'],['Ophiurida'],['Ophiuridae'],['Unknown'],['Ophiura'],['Ophiura sarsii'],1,1,2.309975326061249 1492,12684,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20249383,ISDB,BHYOQNUELFTYRT-UHFFFAOYSA-N,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,C27H46O4S,,466.311680952,BHYOQNUELFTYRT,Terpenoids,Steroids,Cholestane steroids,Ophiura leptoctenia,3654690.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Ophiuroidea'],['Ophiurida'],['Ophiuridae'],['Unknown'],['Ophiura'],['Ophiura leptoctenia'],1,1,2.309975326061249 1493,12683,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.27144128,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0857651233673096 1494,12680,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5190585,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.5762341022491455 1495,12676,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UMLDOSNQGZWGBQ-AHQCWXFASA-N,"InChI=1S/C30H42O4/c1-7-22(2)9-15-26-29(4)19-8-18-28(3,25(29)17-20-30(26,5)32)21-34-27(31)16-12-23-10-13-24(33-6)14-11-23/h7,10-14,16,25-26,32H,1-2,8-9,15,17-21H2,3-6H3/b16-12+/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O,C30H42O4,pos_1_1proton,466.30830982399993,UMLDOSNQGZWGBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,2,8.0 1496,12675,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2978954,ISDB,,,,,,,KQCKALBGFVFTKN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1915816068649292 1497,12674,2780,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.31118187,ISDB,PMKFHUDSBGNHST-UHFFFAOYSA-N,"InChI=1S/C29H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-27(2)31-29(28)30/h4-5,7-8,10-11,13-14,16-17,19-20,26H,2-3,6,9,12,15,18,21-25H2,1H3",C=C1C=C(CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)C(=O)O1,C29H40O2,,420.30283052,PMKFHUDSBGNHST,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pinnigorgia flava,169634.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Pinnigorgia'],['Pinnigorgia flava'],1,3,3.7447274923324585 1498,12674,2780,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.31118187,ISDB,PMKFHUDSBGNHST-UHFFFAOYSA-N,"InChI=1S/C29H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-27(2)31-29(28)30/h4-5,7-8,10-11,13-14,16-17,19-20,26H,2-3,6,9,12,15,18,21-25H2,1H3",C=C1C=C(CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)C(=O)O1,C29H40O2,,420.30283052,PMKFHUDSBGNHST,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Plexaura flava,3677595.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaura'],['Plexaura flava'],1,3,3.7447274923324585 1499,12671,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32860366,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.814414620399475 1500,12670,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_1proton1dmso,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 1501,12670,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_1proton1dmso,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 1502,12669,-1,,,,0.0,MS1_match,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,pos_1_1proton1methanol,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,7.0 1503,12669,-1,,,,0.0,MS1_match,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,pos_1_1proton1methanol,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,7.0 1504,12664,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32244,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.789759993553162 1505,12664,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32244,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.789759993553162 1506,12662,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.52257776,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.590311050415039 1507,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 1508,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 1509,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea torano,1091066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea torano'],6,1,6.5 1510,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 1511,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 1512,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 1513,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 1514,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],6,1,6.5 1515,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus remota,225281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus remota'],6,1,6.5 1516,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus longaeva,568647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus longaeva'],6,1,6.5 1517,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus aristata,786782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus aristata'],6,1,6.5 1518,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,1,6.5 1519,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 1520,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 1521,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,1,6.5 1522,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,1,6.5 1523,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,1,6.5 1524,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,1,6.5 1525,12660,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,1,6.5 1526,12659,-1,,,,0.0,MS1_match,FCJMSYBZNPUJID-XSDUFFGSSA-N,"InChI=1S/C31H48O4/c1-20(2)24-15-19-31(7)26(29(24,5)17-16-27(32)35-8)13-12-25-23(14-18-30(25,31)6)21(3)10-9-11-22(4)28(33)34/h11,23-26H,1,3,9-10,12-19H2,2,4-8H3,(H,33,34)/b22-11+/t23-,24+,25-,26+,29+,30-,31-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C,C31H48O4,pos_1_1proton,484.355260016,FCJMSYBZNPUJID,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 1527,12658,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.73087513,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9235005378723145 1528,12656,138,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,0.2852978,ISDB,FDHFJXKRMIVNCQ-CQBRDPJOSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37-,41-,51+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C,C55H74N4O5,,870.565921468,FDHFJXKRMIVNCQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Euchresta formosana,280933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Euchresta'],['Euchresta formosana'],6,3,8.641191244125366 1529,12655,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.32320347,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,8.792813897132874 1530,12655,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.32320347,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,8.792813897132874 1531,12655,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.32320347,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,8.792813897132874 1532,12652,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.20595354,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,3.8238141536712646 1533,12651,557,Amino acids and Peptides,Small peptides,Dipeptides,0.59007996,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.8603198528289795 1534,12646,-1,,,,0.5074496,ISDB,DRHJMJVSLJEJHE-CEAOXAGGSA-N,"InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H64O12,,724.439777488,DRHJMJVSLJEJHE,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],4,0,6.02979850769043 1535,12645,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.42881563,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,3,10.215262532234192 1536,12645,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.42881563,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.215262532234192 1537,12645,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.42881563,ISDB,JYDNKGUBLIKNAM-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3",C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.215262532234192 1538,12645,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.42881563,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.215262532234192 1539,12643,-1,,,,0.41032773,ISDB,,,,,,,YCQBBWAAQIDRFV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6413109302520752 1540,12638,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.5171097,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,2,10.06843876838684 1541,12637,-1,,,,0.0,MS1_match,YVMAYTYEFBTXFR-UHFFFAOYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3",CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(OC(=O)C=Cc4ccc(O)c(O)c4)C(C)(C)C3CCC12C,C39H58O5,pos_1_minus1proton1magnesium,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 1542,12637,-1,,,,0.0,MS1_match,YVMAYTYEFBTXFR-MYGOKKNYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O5,pos_1_minus1proton1magnesium,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 1543,12637,-1,,,,0.0,MS1_match,YVMAYTYEFBTXFR-MYGOKKNYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O5,pos_1_minus1proton1magnesium,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 1544,12637,-1,,,,0.0,MS1_match,CDIRJUWHWWLLQA-AWPSIURNSA-N,"InChI=1S/C39H58O5/c1-26(25-40)9-8-21-39(7,43)30-18-23-37(5)29(30)15-16-32-36(4)22-20-33(35(2,3)31(36)19-24-38(32,37)6)44-34(42)17-12-27-10-13-28(41)14-11-27/h9-14,17,29-33,40-41,43H,8,15-16,18-25H2,1-7H3/b17-12+,26-9+/t29-,30+,31-,32-,33+,36+,37-,38-,39+/m1/s1",C/C(=C\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@H]3CC[C@]12C)CO,C39H58O5,pos_1_minus1proton1magnesium,606.428424956,CDIRJUWHWWLLQA,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 1545,12636,741,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.53432626,ISDB,XPASABMPOWTXIB-UHFFFAOYSA-N,"InChI=1S/C24H41NO/c1-3-5-7-9-11-13-15-17-23-20-19-22(21-25-23)24(26)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3",CCCCCCCCCC(=O)c1ccc(CCCCCCCCC)nc1,C24H41NO,,359.318814932,XPASABMPOWTXIB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,3,7.637305021286011 1546,12632,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.230254,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],3,2,4.921015977859497 1547,12631,955,Polyketides,Sesquiterpenoids,Abietane diterpenoids,0.48765013,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus macrolepis,216741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus macrolepis'],5,3,8.450600504875183 1548,12631,955,Polyketides,Sesquiterpenoids,Abietane diterpenoids,0.48765013,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,3,8.450600504875183 1549,12630,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.31238532,ISDB,OOUTWVMJGMVRQF-NWYYEFBESA-N,"InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CCC1=O,C40H52O3,,580.391645524,OOUTWVMJGMVRQF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],5,3,7.749541282653809 1550,12620,2603,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.40955648,ISDB,WISSQECJGFKWLU-OWVCEBFMSA-N,"InChI=1S/C31H48O2/c1-20(2)18-22(33-9)19-21(3)23-12-16-31(8)25-10-11-26-28(4,5)27(32)14-15-29(26,6)24(25)13-17-30(23,31)7/h10,13,18,21-23,26H,11-12,14-17,19H2,1-9H3/t21-,22+,23-,26-,29+,30-,31+/m0/s1",CO[C@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C,C31H48O2,,452.365430776,WISSQECJGFKWLU,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus walteri,505082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus walteri'],4,3,7.1382259130477905 1551,12618,3011,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3679589,ISDB,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,9.971835613250732 1552,12617,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.53729296,ISDB,PSZQSRHVPFUXNO-VOFSXYFNSA-N,"InChI=1S/C39H52O7/c1-22(2)39-21-20-38(33(42)46-39)19-18-35(5)25(29(38)39)14-15-27-36(35,6)17-16-26-34(3,4)30(28(32(41)44-9)37(26,27)7)45-31(40)23-10-12-24(43-8)13-11-23/h10-13,25-30H,1,14-21H2,2-9H3/t25-,26-,27+,28+,29-,30+,35-,36-,37+,38-,39-/m1/s1",C=C(C)[C@]12CC[C@@]3(CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)[C@H](C(=O)OC)[C@H](OC(=O)c7ccc(OC)cc7)C(C)(C)[C@H]6CC[C@]54C)[C@H]31)C(=O)O2,C39H52O7,,632.371304004,PSZQSRHVPFUXNO,Terpenoids,Triterpenoids,Abeolupane triterpenoids,Alphitonia excelsa,765508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Unknown'],['Alphitonia'],['Alphitonia excelsa'],3,2,6.149171829223633 1553,12616,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5980272,ISDB,ISHVJVXYPLFKAL-AZUAARDMSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.892108917236328 1554,12615,-1,,,,0.55166954,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.206678152084351 1555,12612,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5512003,ISDB,CNYNNXTXLZLYLM-WKZDHGJNSA-N,"InChI=1S/C38H60O12/c1-18-15-20(29(33(5,6)45)47-19(2)40)50-38(46)28(18)34(7)13-14-37-17-36(37)12-11-24(49-30-27(43)26(42)25(41)21(16-39)48-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h10,18,20-22,24-31,39,41-46H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,27-,28-,29-,30+,31-,34-,35-,36-,37+,38-/m1/s1",CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C38H60O12,,708.40847736,CNYNNXTXLZLYLM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.204801082611084 1556,12612,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5512003,ISDB,CNYNNXTXLZLYLM-WKZDHGJNSA-N,"InChI=1S/C38H60O12/c1-18-15-20(29(33(5,6)45)47-19(2)40)50-38(46)28(18)34(7)13-14-37-17-36(37)12-11-24(49-30-27(43)26(42)25(41)21(16-39)48-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h10,18,20-22,24-31,39,41-46H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,27-,28-,29-,30+,31-,34-,35-,36-,37+,38-/m1/s1",CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C38H60O12,,708.40847736,CNYNNXTXLZLYLM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.204801082611084 1557,12610,-1,,,,0.0,MS1_match,LLECJKCNZWHQRD-WRNUKHMMSA-N,"InChI=1S/C39H58O4/c1-26(2)10-9-22-39(8,42)30-19-24-37(6)29(30)16-17-32-36(5)23-21-33(35(3,4)31(36)20-25-38(32,37)7)43-34(41)18-13-27-11-14-28(40)15-12-27/h10-15,18,29-33,40,42H,9,16-17,19-25H2,1-8H3/b18-13+/t29-,30+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O4,pos_2MMg,590.433510336,LLECJKCNZWHQRD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 1558,12609,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.22894199,ISDB,JFDIOVWZTRBCIE-AYGLRHSPSA-N,"InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)23(34)24(35)30(18,16-31)22(33)15-25/h8,18-20,22-24,31,33-35H,9-16H2,1-7H3/t18-,19-,20+,22-,23-,24+,27-,28+,29-,30+/m0/s1",CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,JFDIOVWZTRBCIE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Harpullia pendula,232572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Dodonaeaeae'],['Harpullia'],['Harpullia pendula'],4,2,5.915767967700958 1559,12608,-1,,,,0.0,MS1_match,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,pos_1_minus1proton1magnesium,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,0,7.0 1560,12608,-1,,,,0.0,MS1_match,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,pos_1_minus1proton1magnesium,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula alleghaniensis,452595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alleghaniensis'],7,0,7.0 1561,12608,-1,,,,0.0,MS1_match,DBCAVZSSFGIHQZ-YLAYQGCQSA-N,"InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1",CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1,C30H48O,pos_1_minus1proton1magnesium,424.370516156,DBCAVZSSFGIHQZ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],7,0,7.0 1562,12608,-1,,,,0.0,MS1_match,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,pos_1_minus1proton1magnesium,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,0,7.0 1563,12608,-1,,,,0.0,MS1_match,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,pos_1_minus1proton1magnesium,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula alleghaniensis,452595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alleghaniensis'],7,0,7.0 1564,12607,347,Terpenoids,Triterpenoids,Cholestane steroids,0.5032431,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,7.512972354888916 1565,12606,-1,,,,0.0,MS1_match,VPFWQOBPXAGHDW-SUQDCZRVSA-N,"InChI=1S/C36H56O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,21-29,37,39-42,44H,9-17H2,1-7H3/t18-,21-,22+,23-,24-,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H56O10,pos_1_1sodium,648.387347992,VPFWQOBPXAGHDW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 1566,12606,-1,,,,0.0,MS1_match,VPFWQOBPXAGHDW-UHFFFAOYSA-N,"InChI=1S/C36H56O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,21-29,37,39-42,44H,9-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)O,C36H56O10,pos_1_1sodium,648.387347992,VPFWQOBPXAGHDW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia var. alba,7057128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 1567,12606,-1,,,,0.0,MS1_match,VPFWQOBPXAGHDW-UHFFFAOYSA-N,"InChI=1S/C36H56O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,21-29,37,39-42,44H,9-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)O,C36H56O10,pos_1_1sodium,648.387347992,VPFWQOBPXAGHDW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia,872135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 1568,12606,-1,,,,0.0,MS1_match,YINSJSDSZOATAN-UHFFFAOYSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13C,C36H56O10,pos_1_1sodium,648.387347992,YINSJSDSZOATAN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 1569,12606,-1,,,,0.0,MS1_match,YINSJSDSZOATAN-BHYVQMTLSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C2[C@H]1C)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C,C36H56O10,pos_1_1sodium,648.387347992,YINSJSDSZOATAN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 1570,12606,-1,,,,0.0,MS1_match,VOJUDERLBZKDIW-BVJLKSDVSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-30,37-43H,2,8-17H2,1,3-6H3/t18-,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_1_1sodium,648.387347992,VOJUDERLBZKDIW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 1571,12606,-1,,,,0.0,MS1_match,VOJUDERLBZKDIW-VELQTANFSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-30,37-43H,2,8-17H2,1,3-6H3/t18-,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32-,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_1_1sodium,648.387347992,VOJUDERLBZKDIW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 1572,12606,-1,,,,0.0,MS1_match,WRHBBCHPHUPWJL-JCMUWHDHSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,21-30,37-43H,8-17H2,1-6H3/t21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O10,pos_1_1sodium,648.387347992,WRHBBCHPHUPWJL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 1573,12606,-1,,,,0.0,MS1_match,WRHBBCHPHUPWJL-UHFFFAOYSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,21-30,37-43H,8-17H2,1-6H3",CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1,C36H56O10,pos_1_1sodium,648.387347992,WRHBBCHPHUPWJL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 1574,12606,-1,,,,0.0,MS1_match,WRHBBCHPHUPWJL-JCMUWHDHSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,21-30,37-43H,8-17H2,1-6H3/t21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O10,pos_1_1sodium,648.387347992,WRHBBCHPHUPWJL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pinfaensis,147313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pinfaensis'],6,0,6.0 1575,12606,-1,,,,0.0,MS1_match,YUQOBDWWVKXUMV-DUHBLQKFSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_1_1sodium,648.387347992,YUQOBDWWVKXUMV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 1576,12606,-1,,,,0.0,MS1_match,YUQOBDWWVKXUMV-DUHBLQKFSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_1_1sodium,648.387347992,YUQOBDWWVKXUMV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 1577,12606,-1,,,,0.0,MS1_match,YUQOBDWWVKXUMV-UJLOYTALSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_1_1sodium,648.387347992,YUQOBDWWVKXUMV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pinfaensis,147313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pinfaensis'],6,0,6.0 1578,12605,-1,,,,0.607681,ISDB,,,,,,,BCORRXOGBNOQQU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4307239055633545 1579,12604,574,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.44018066,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.760722637176514 1580,12601,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.62249553,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.98998212814331 1581,12600,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3152092,ISDB,PVMHLUQSCKSBOW-RKSGNMNBSA-N,"InChI=1S/C40H64O11/c1-20(2)31(44)25(43)16-21(3)24-10-15-40-19-39(24,40)14-11-27-37(8)13-12-29(49-23(5)42)36(6,7)28(37)17-30(38(27,40)9)51-35-34(47)33(46)32(45)26(50-35)18-48-22(4)41/h21,24-35,43-47H,1,10-19H2,2-9H3/t21-,24+,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,37-,38+,39-,40-/m1/s1",C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@]13C,C40H64O11,,720.444862868,PVMHLUQSCKSBOW,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Epicharis cumingiana,6124818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum cumingianum'],4,2,6.260836839675903 1582,12600,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3152092,ISDB,PVMHLUQSCKSBOW-RKSGNMNBSA-N,"InChI=1S/C40H64O11/c1-20(2)31(44)25(43)16-21(3)24-10-15-40-19-39(24,40)14-11-27-37(8)13-12-29(49-23(5)42)36(6,7)28(37)17-30(38(27,40)9)51-35-34(47)33(46)32(45)26(50-35)18-48-22(4)41/h21,24-35,43-47H,1,10-19H2,2-9H3/t21-,24+,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,37-,38+,39-,40-/m1/s1",C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@]13C,C40H64O11,,720.444862868,PVMHLUQSCKSBOW,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Dysoxylum cumingianum,6124818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum cumingianum'],4,2,6.260836839675903 1583,12599,574,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.44455764,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.778230547904968 1584,12598,574,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.41726068,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],3,0,4.669042706489563 1585,12597,574,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.42342645,ISDB,VLEXYJYNPNSQRM-XRXBZNFBSA-N,"InChI=1S/C36H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)40-27-31(35(2,3)39)30-26-37-32-23-22-28(24-29(30)32)25-33-36(4,5)41-33/h13-14,22-24,26,31,33,37,39H,6-12,15-21,25,27H2,1-5H3/b14-13-/t31-,33+/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O,C36H57NO4,,567.428759304,VLEXYJYNPNSQRM,,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],3,0,4.693705797195435 1586,12596,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.2729853,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.591941237449646 1587,12595,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6481253,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.592501163482666 1588,12594,-1,,,,0.0,MS1_match,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,pos_1_1sodium,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 1589,12593,-1,,,,0.684796,ISDB,OXPUVXANXMWSSL-MAIAYQQESA-N,"InChI=1S/C24H44O7/c1-2-3-4-11-14-18-15-12-9-7-5-6-8-10-13-16-20(26)31-23-22(28)21(27)19(17-25)30-24(23)29-18/h18-19,21-25,27-28H,2-17H2,1H3/t18-,19-,21-,22+,23-,24-/m1/s1",CCCCCC[C@@H]1CCCCCCCCCCC(=O)O[C@H]2[C@H](O1)O[C@H](CO)[C@@H](O)[C@@H]2O,C24H44O7,,444.308703748,OXPUVXANXMWSSL,,,,Silene gallica,842195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene gallica'],3,0,5.7391839027404785 1590,12592,-1,,,,0.0,MS1_match,ACWNTJJUZAIOLW-UHYWUVHCSA-N,"InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25+,26-,29-,30+,31+,32-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C32H50O4,pos_1_1proton1acetonitrile,498.37091008,ACWNTJJUZAIOLW,Terpenoids,Triterpenoids,Lupane triterpenoids,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],6,0,6.0 1591,12592,-1,,,,0.0,MS1_match,ACWNTJJUZAIOLW-UHYWUVHCSA-N,"InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25+,26-,29-,30+,31+,32-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C32H50O4,pos_1_1proton1acetonitrile,498.37091008,ACWNTJJUZAIOLW,Terpenoids,Triterpenoids,Lupane triterpenoids,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],6,0,6.0 1592,12591,574,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.39634153,ISDB,,,,,,,OLORTLVEDIELGC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.585366129875183 1593,12590,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_1proton1dmso,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],6,0,6.0 1594,12590,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_1proton1dmso,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Geum reptans,829918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum reptans'],6,0,6.0 1595,12589,-1,,,,0.5528053,ISDB,DBCAVZSSFGIHQZ-YLAYQGCQSA-N,"InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1",CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,DBCAVZSSFGIHQZ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],7,0,9.21122121810913 1596,12587,1049,Terpenoids,Fatty Acids and Conjugates,Aphidicolane diterpenoids,0.0,MS1_match,VUFSOKZNTWNMLI-BLQWBTBKSA-N,"InChI=1S/C22H34O2/c1-14-10-17-6-7-19-20(3,4)12-18(24-15(2)23)13-21(19,5)22(17)9-8-16(14)11-22/h16-19H,1,6-13H2,2-5H3/t16-,17-,18-,19-,21-,22-/m0/s1",C=C1C[C@@H]2CC[C@H]3C(C)(C)C[C@H](OC(C)=O)C[C@]3(C)[C@]23CC[C@H]1C3,C22H34O2,pos_1_1proton1ammonium,330.255880328,VUFSOKZNTWNMLI,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,3,8.5 1597,12586,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,pos_1_1sodium1acetonitrile,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,1,7.5 1598,12585,-1,,,,0.24588098,ISDB,ZDSLWUSUAIVAMQ-BCAUUHNYSA-N,"InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26-,33+,35-/m1/s1",CC(=O)CC[C@@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C,C35H50O3,,518.37599546,ZDSLWUSUAIVAMQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.983523905277252 1599,12584,-1,,,,0.4438601,ISDB,RDGZXVIPYWJQBR-KDDYYSGWSA-N,"InChI=1S/C28H52O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(30)17-24(31)18-26(34-22(2)29)21-27-19-25(32)20-28(33)35-27/h23-27,30-32H,3-21H2,1-2H3/t23-,24-,25+,26+,27-/m0/s1",CCCCCCCCCCCCCCC[C@H](O)C[C@H](O)C[C@H](C[C@@H]1C[C@@H](O)CC(=O)O1)OC(C)=O,C28H52O7,,500.371304004,RDGZXVIPYWJQBR,Polyketides,Cyclic polyketides,2-pyrone derivatives,Passiflora foetida,415777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora foetida'],3,0,4.775440454483032 1600,12582,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5048824,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.519529581069946 1601,12582,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5048824,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.519529581069946 1602,12578,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5054198,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.521679162979126 1603,12577,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47603858,ISDB,QTZSBXFKSQOTMV-MPQZYYEVSA-N,"InChI=1S/C43H68O15/c1-38(2)13-15-43(37(52)53)16-14-41(6)20(21(43)17-38)9-10-25-40(5)18-22(45)33(39(3,4)24(40)11-12-42(25,41)7)58-36-30(50)31(29(49)32(57-36)34(51)54-8)56-35-28(48)27(47)26(46)23(19-44)55-35/h9,21-33,35-36,44-50H,10-19H2,1-8H3,(H,52,53)/t21-,22-,23+,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,35-,36-,40-,41+,42+,43-/m0/s1",COC(=O)[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C43H68O15,,824.4558214760001,QTZSBXFKSQOTMV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Caryocar glabrum,436449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Caryocaraceae'],['Unknown'],['Caryocar'],['Caryocar glabrum'],4,3,7.404154300689697 1604,12572,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-UHFFFAOYSA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)",CC(C)(O)C1CCC(C2CCC3(C)C4(C)CCC5C(C)(C)C(OC(=O)CC(=O)O)CCC5(C)C4CC(O)C23C)O1,C33H54O7,pos_1_1proton1methanol,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 1605,12572,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-BLMMWBQISA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20-,21-,22+,23+,24+,25+,30-,31+,32-,33+/m0/s1",CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1methanol,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 1606,12572,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-YCIWXRGLSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27-,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1methanol,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 1607,12572,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-KJARQRAKSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27+,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1methanol,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 1608,12571,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1isopropanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1609,12571,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1isopropanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1610,12571,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1isopropanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1611,12571,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1isopropanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1612,12570,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.32404435,ISDB,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,9.796177387237549 1613,12569,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FCJMSYBZNPUJID-XSDUFFGSSA-N,"InChI=1S/C31H48O4/c1-20(2)24-15-19-31(7)26(29(24,5)17-16-27(32)35-8)13-12-25-23(14-18-30(25,31)6)21(3)10-9-11-22(4)28(33)34/h11,23-26H,1,3,9-10,12-19H2,2,4-8H3,(H,33,34)/b22-11+/t23-,24+,25-,26+,29+,30-,31-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C,C31H48O4,pos_1_1proton1methanol,484.355260016,FCJMSYBZNPUJID,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 1614,12568,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1proton,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 1615,12567,347,Terpenoids,Triterpenoids,Cholestane steroids,0.52306575,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,11.092262983322144 1616,12562,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31711167,ISDB,PUSNSFIJAMTISX-LQOHYYORSA-N,"InChI=1S/C24H42N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h6,8,19-20H,4-5,7,9-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/b8-6-/t20-/m1/s1",CC(C)CCC/C=C\CCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O,C24H42N4O4,,450.320605824,PUSNSFIJAMTISX,Fatty acids,Fatty amides,N-acyl amines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.268446683883667 1617,12561,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1proton,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 1618,12561,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IVWHYNKOPOPMJS-NIWGLMRLSA-N,"InChI=1S/C30H50O5/c1-19(2)20-10-16-28(6)23(27(20,5)15-12-24(32)33)18-22(31)25-21(11-17-29(25,28)7)30(8,35)14-9-13-26(3,4)34/h9,13,20-23,25,31,34-35H,1,10-12,14-18H2,2-8H3,(H,32,33)/b13-9+/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1proton,490.3658247,IVWHYNKOPOPMJS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 1619,12557,3011,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61303985,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,2,9.452159404754639 1620,12556,-1,,,,0.28568998,ISDB,VNXIXXWLGRKKST-QLRGAEDESA-N,"InChI=1S/C39H66O13/c1-20(2)6-5-7-25(43)23-12-14-37(3)24(23)8-9-28-38(37,4)13-10-21-16-22(11-15-39(21,28)19-42)49-36-34(32(47)30(45)27(18-41)51-36)52-35-33(48)31(46)29(44)26(17-40)50-35/h6,21-36,40-48H,5,7-19H2,1-4H3/t21?,22?,23?,24?,25?,26-,27-,28?,29-,30-,31+,32+,33-,34-,35+,36-,37?,38?,39?/m1/s1",CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3CCC12C,C39H66O13,,742.4503421720001,VNXIXXWLGRKKST,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Gynostemma pentaphyllum,493377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Gomphogyneae'],['Gynostemma'],['Gynostemma pentaphyllum'],3,0,4.142759919166565 1621,12553,3221,Terpenoids,Diterpenoids,Abietane diterpenoids,0.24846452,ISDB,SERPESJFVFFAKV-QRVBRYPASA-N,"InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(OO)CCC[C@]21C,C19H28O2,,288.208930136,SERPESJFVFFAKV,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,7.493858098983765 1622,12549,2044,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5104052,ISDB,YBMMGZNGDURMBM-VXLSRJMWSA-N,"InChI=1S/C29H42O2/c1-25(2)17-19-18(16-24(25)31)10-14-28(6)20(19)8-9-22-27(5)13-12-23(30)26(3,4)21(27)11-15-29(22,28)7/h8-9,16,21-23,30H,10-15,17H2,1-7H3/t21-,22+,23+,27-,28+,29+/m0/s1",CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CCC2=CC1=O,C29H42O2,,422.31848058399993,YBMMGZNGDURMBM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],3,3,6.54162073135376 1623,12548,3025,Polyketides,Meroterpenoids,Catechols with side chains,0.5582854,ISDB,PGRGQPDRHGOZHE-KQNCMUCESA-N,"InChI=1S/C23H30O2/c1-13(2)18-7-6-14(3)19-9-16-10-20-15(4)8-17(24)11-22(20)25-23(16,5)12-21(18)19/h6,8,11,16,18-19,21,24H,1,7,9-10,12H2,2-5H3/t16-,18+,19+,21+,23-/m0/s1",C=C(C)[C@H]1CC=C(C)[C@H]2C[C@H]3Cc4c(C)cc(O)cc4O[C@@]3(C)C[C@H]12,C23H30O2,,338.2245802,PGRGQPDRHGOZHE,Polyketides,Meroterpenoids,,Diaporthe tersa,219950.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Diaporthaceae'],['Unknown'],['Phomopsis'],['Phomopsis tersa'],1,2,4.233141660690308 1624,12546,3025,Polyketides,Meroterpenoids,Catechols with side chains,0.5652685,ISDB,DOAKROJPUDWPEL-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c23-21-16-20(17-22(24)18-21)15-9-6-4-2-1-3-5-8-12-19-13-10-7-11-14-19/h7,10-11,13-14,16-18,23-24H,1-6,8-9,12,15H2",Oc1cc(O)cc(CCCCCCCCCCc2ccccc2)c1,C22H30O2,,326.2245802,DOAKROJPUDWPEL,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],3,3,6.761074066162109 1625,12546,3025,Polyketides,Meroterpenoids,Catechols with side chains,0.5652685,ISDB,DOAKROJPUDWPEL-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c23-21-16-20(17-22(24)18-21)15-9-6-4-2-1-3-5-8-12-19-13-10-7-11-14-19/h7,10-11,13-14,16-18,23-24H,1-6,8-9,12,15H2",Oc1cc(O)cc(CCCCCCCCCCc2ccccc2)c1,C22H30O2,,326.2245802,DOAKROJPUDWPEL,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],3,3,6.761074066162109 1626,12545,645,Terpenoids,Steroids,Ergostane steroids,0.61476415,ISDB,UWLLQQJHSYZGDW-BFZFRUQESA-N,"InChI=1S/C33H54O10/c1-15-9-25(36)33(40-14-15)16(2)26-23(43-33)12-20-18-11-22(41-30-29(39)28(38)27(37)24(13-34)42-30)21-10-17(35)5-7-31(21,3)19(18)6-8-32(20,26)4/h15-30,34-39H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C33H54O10,,610.371697928,UWLLQQJHSYZGDW,Terpenoids,Steroids,Spirostane steroids,Furcraea foetida,643224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Furcraea'],['Furcraea gigantea'],4,2,7.459056615829468 1627,12545,645,Terpenoids,Steroids,Ergostane steroids,0.61476415,ISDB,UWLLQQJHSYZGDW-BFZFRUQESA-N,"InChI=1S/C33H54O10/c1-15-9-25(36)33(40-14-15)16(2)26-23(43-33)12-20-18-11-22(41-30-29(39)28(38)27(37)24(13-34)42-30)21-10-17(35)5-7-31(21,3)19(18)6-8-32(20,26)4/h15-30,34-39H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+/m1/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1,C33H54O10,,610.371697928,UWLLQQJHSYZGDW,Terpenoids,Steroids,Spirostane steroids,Agave utahensis,3996063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Agave'],['Agave utahensis'],4,2,7.459056615829468 1628,12542,-1,,,,0.64093435,ISDB,WIWRMTXKBRXVSX-UHFFFAOYSA-N,"InChI=1S/C22H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(20-21)23-2/h6-7,16,18-20H,3-5,8-15,17H2,1-2H3",CCCCC=CCCCCCCCCCc1cccc(OC)c1,C22H36O,,316.276615772,WIWRMTXKBRXVSX,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.563737392425537 1629,12541,1477,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6146761,ISDB,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,2,8.458704471588135 1630,12541,1477,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6146761,ISDB,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,2,8.458704471588135 1631,12539,2831,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,BLVKOUKLGRRNGG-YGZBHLPXSA-N,"InChI=1S/C30H44O6/c1-16-9-12-30(25(35)36)14-13-27(4)18(22(30)17(16)2)7-8-20-26(3)15-19(31)23(32)29(6,24(33)34)21(26)10-11-28(20,27)5/h7,9,17,19-23,31-32H,8,10-15H2,1-6H3,(H,33,34)(H,35,36)/t17-,19+,20+,21+,22+,23-,26+,27+,28+,29+,30-/m0/s1",CC1=CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,BLVKOUKLGRRNGG,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Corchorus depressus,5233031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus depressus'],6,3,7.5 1632,12538,62,Terpenoids,Triterpenoids,Lipopeptides,0.21036416,ISDB,OOOJZFAEKGDVGZ-JMSWYKQDSA-N,"InChI=1S/C31H57NO7/c1-8-9-10-11-13-16-21(2)19-23(39-7)17-14-12-15-18-25(33)32-24(20-38-6)28(35)26-27(34)22(3)29(36)31(4,5)30(26)37/h12,14,21-24,26-29,34-36H,8-11,13,15-20H2,1-7H3,(H,32,33)/b14-12+/t21-,22-,23-,24+,26-,27+,28-,29-/m0/s1",CCCCCCC[C@H](C)C[C@H](C/C=C/CCC(=O)N[C@H](COC)[C@H](O)[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H](C)[C@H]1O)OC,C31H57NO7,,555.413503164,OOOJZFAEKGDVGZ,Amino acids and Peptides,Oligopeptides,Lipopeptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,3,2.341456651687622 1633,12536,-1,,,,0.8373942,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.349576711654663 1634,12534,-1,,,,0.429095,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,7.716380000114441 1635,12531,-1,,,,0.35096124,ISDB,JBQJBUSSZCBEON-VCPUBHNASA-N,"InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-22(31)23(32)24-26(21,4)11-9-20-25(3)10-8-17(29)12-18(25)19(30)13-27(20,24)33/h15-24,28-33H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22+,23+,24+,25-,26+,27-/m0/s1",C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O,C27H48O6,,468.345089256,JBQJBUSSZCBEON,Terpenoids,Steroids,Cholestane steroids,Printzia polifolia,429567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Printzia'],['Printzia polifolia'],4,0,5.403844952583313 1636,12531,-1,,,,0.35096124,ISDB,JBQJBUSSZCBEON-VCPUBHNASA-N,"InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-22(31)23(32)24-26(21,4)11-9-20-25(3)10-8-17(29)12-18(25)19(30)13-27(20,24)33/h15-24,28-33H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22+,23+,24+,25-,26+,27-/m0/s1",C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O,C27H48O6,,468.345089256,JBQJBUSSZCBEON,Terpenoids,Steroids,Cholestane steroids,Aster patagonicus,7597588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster patagonicus'],4,0,5.403844952583313 1637,12531,-1,,,,0.35096124,ISDB,JBQJBUSSZCBEON-VCPUBHNASA-N,"InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-22(31)23(32)24-26(21,4)11-9-20-25(3)10-8-17(29)12-18(25)19(30)13-27(20,24)33/h15-24,28-33H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22+,23+,24+,25-,26+,27-/m0/s1",C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O,C27H48O6,,468.345089256,JBQJBUSSZCBEON,Terpenoids,Steroids,Cholestane steroids,Haplopappus glutinosus,19534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus glutinosus'],4,0,5.403844952583313 1638,12531,-1,,,,0.35096124,ISDB,JBQJBUSSZCBEON-VCPUBHNASA-N,"InChI=1S/C27H48O6/c1-15(14-28)6-5-7-16(2)21-22(31)23(32)24-26(21,4)11-9-20-25(3)10-8-17(29)12-18(25)19(30)13-27(20,24)33/h15-24,28-33H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22+,23+,24+,25-,26+,27-/m0/s1",C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O,C27H48O6,,468.345089256,JBQJBUSSZCBEON,Terpenoids,Steroids,Cholestane steroids,Symphyotrichum patagonicum,7599562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Symphyotrichum'],['Symphyotrichum patagonicum'],4,0,5.403844952583313 1639,12528,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5243948,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.59757924079895 1640,12526,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.65802884,ISDB,OEWYCDKCYLIWJV-UHFFFAOYSA-N,"InChI=1S/C26H42O3/c1-16-6-11-26(28-15-16)14-22-23(29-26)13-21-19-5-4-17-12-18(27)7-9-24(17,2)20(19)8-10-25(21,22)3/h16-23,27H,4-15H2,1-3H3",CC1CCC2(CC3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)O2)OC1,C26H42O3,,402.313395204,OEWYCDKCYLIWJV,Terpenoids,Steroids,Spirostane steroids,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],4,1,7.132115364074707 1641,12525,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,pos_1_1sodium,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,1,6.5 1642,12525,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,ZPIUPTHPMLQGMP-UHFFFAOYSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,11,16-18,21,24-25,31H,9-10,12-15H2,1-7H3",CC1=CC(=CC(C)C2CCC3(C)C4=CCC5C(C)(CCC(O)C5(C)C)C4=CCC23C)OC1=O,C30H42O3,pos_1_1sodium,450.313395204,ZPIUPTHPMLQGMP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,1,6.5 1643,12525,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,ZPIUPTHPMLQGMP-YPBWBHRZSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,11,16-18,21,24-25,31H,9-10,12-15H2,1-7H3/b20-16+/t18-,21-,24+,25-,28-,29-,30+/m1/s1",CC1=C/C(=C\[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@]23C)OC1=O,C30H42O3,pos_1_1sodium,450.313395204,ZPIUPTHPMLQGMP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies pindrow,200117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pindrow'],6,1,6.5 1644,12525,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,WAIAURMVELTZIW-MQHRPXFRSA-N,"InChI=1S/C30H42O3/c1-18-16-20(33-26(18)32)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(31)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16-17,19,22,24-25,31H,9-10,12-15H2,1-7H3/b20-17-/t19-,22-,24-,25-,28-,29+,30-/m1/s1",CC1=C/C(=C/[C@@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O,C30H42O3,pos_1_1sodium,450.313395204,WAIAURMVELTZIW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,1,6.5 1645,12525,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,WAIAURMVELTZIW-MQHRPXFRSA-N,"InChI=1S/C30H42O3/c1-18-16-20(33-26(18)32)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(31)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16-17,19,22,24-25,31H,9-10,12-15H2,1-7H3/b20-17-/t19-,22-,24-,25-,28-,29+,30-/m1/s1",CC1=C/C(=C/[C@@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O,C30H42O3,pos_1_1sodium,450.313395204,WAIAURMVELTZIW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,1,6.5 1646,12525,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,WADYKEXZFJETKH-ZIUWCRSOSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h16-18,21,24H,8-15H2,1-7H3/b20-16-/t18-,21-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)OC1=O,C30H42O3,pos_1_1sodium,450.313395204,WADYKEXZFJETKH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,1,6.5 1647,12524,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6106193,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.942477226257324 1648,12522,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4363336,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.245334386825562 1649,12521,-1,,,,0.56522536,ISDB,HIWMYGWPPTZIGR-AIJIBBQMSA-N,"InChI=1S/C35H52O3/c1-19(2)29-23-11-10-21(4)30-22-14-34(7,26(30)16-33(23,6)17-27(29)36)35(15-22)25-13-24-20(3)9-8-12-32(24,5)18-28(25)38-31(35)37/h9,19,21-25,27-29,36H,8,10-18H2,1-7H3/t21-,22+,23-,24+,25+,27+,28-,29+,32-,33-,34+,35-/m0/s1",CC1=CCC[C@@]2(C)C[C@@H]3OC(=O)[C@]4(C[C@H]5C[C@]4(C)C4=C5[C@@H](C)CC[C@H]5[C@@H](C(C)C)[C@H](O)C[C@]5(C)C4)[C@@H]3C[C@H]12,C35H52O3,,520.391645524,HIWMYGWPPTZIGR,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Plagiochila rutilans var. moritziana,160986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Plagiochilaceae'],['Unknown'],['Plagiochila'],['Plagiochila rutilans'],3,0,5.26090145111084 1650,12520,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UMLDOSNQGZWGBQ-AHQCWXFASA-N,"InChI=1S/C30H42O4/c1-7-22(2)9-15-26-29(4)19-8-18-28(3,25(29)17-20-30(26,5)32)21-34-27(31)16-12-23-10-13-24(33-6)14-11-23/h7,10-14,16,25-26,32H,1-2,8-9,15,17-21H2,3-6H3/b16-12+/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O,C30H42O4,pos_1_1proton,466.30830982399993,UMLDOSNQGZWGBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,2,8.0 1651,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1652,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1653,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 1654,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1655,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1656,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 1657,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1658,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1659,12518,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1660,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1661,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1662,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1663,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 1664,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 1665,12518,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1666,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1667,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1668,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1669,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1670,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1671,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 1672,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1sodium,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 1673,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1674,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1675,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1676,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1677,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1678,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 1679,12518,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1680,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1681,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 1682,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1683,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1684,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1685,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1686,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1687,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1688,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1689,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1690,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1691,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1sodium,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 1692,12518,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 1693,12515,-1,,,,0.6427145,ISDB,HUYISEQCRNUNJZ-UHFFFAOYSA-N,"InChI=1S/C25H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-24(26)23(25(27)28-22)19-18-21(2)3/h18,20,26H,4-17,19H2,1-3H3",CCCCCCCCCCCCCCCc1cc(O)c(CC=C(C)C)c(=O)o1,C25H42O3,,390.313395204,HUYISEQCRNUNJZ,Polyketides,Cyclic polyketides,2-pyrone derivatives,Garcinia conrauana,729732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia conrauana'],4,0,6.570858001708984 1694,12515,-1,,,,0.6427145,ISDB,HUYISEQCRNUNJZ-UHFFFAOYSA-N,"InChI=1S/C25H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-24(26)23(25(27)28-22)19-18-21(2)3/h18,20,26H,4-17,19H2,1-3H3",CCCCCCCCCCCCCCCc1cc(O)c(CC=C(C)C)c(=O)o1,C25H42O3,,390.313395204,HUYISEQCRNUNJZ,Polyketides,Cyclic polyketides,2-pyrone derivatives,Garcinia kola,154999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia kola'],4,0,6.570858001708984 1695,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1696,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1697,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 1698,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1699,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1700,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 1701,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1702,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1703,12508,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1704,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1705,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1706,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1707,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 1708,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 1709,12508,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1710,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1711,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1712,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1713,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1714,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1715,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 1716,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1ethylamine,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 1717,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1718,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1719,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1720,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1721,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1722,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 1723,12508,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1724,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1725,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 1726,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1727,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1728,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 1729,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1730,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 1731,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 1732,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 1733,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 1734,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1735,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1proton1ethylamine,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 1736,12508,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1proton1ethylamine,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 1737,12504,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6584809,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6339235305786133 1738,12503,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.622587,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.9903481006622314 1739,12500,-1,,,,0.68214446,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.7285778522491455 1740,12497,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.42786878,ISDB,SEHIFTGVXDJWTD-QIXNODCWSA-N,"InChI=1S/C30H52O6/c1-17(8-9-18(2)27(4,5)36-19(3)31)22-10-11-23-21-14-26(34)30(35)16-20(32)12-13-28(30,6)24(21)15-25(33)29(22,23)7/h17-18,20-26,32-35H,8-16H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,26-,28-,29-,30+/m1/s1",CC(=O)OC(C)(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C30H52O6,,508.376389384,SEHIFTGVXDJWTD,Terpenoids,Steroids,Cholestane steroids,Callyspongia fibrosa,2834420.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Callyspongia fibrosa'],1,1,3.211475133895874 1741,12496,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-HUOCPXEISA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,24+,25-,26-,27+/m1/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H44O3,pos_1_1proton1methanol,416.3290452679999,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1742,12496,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3",CC1(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CCC(=O)O1,C27H44O3,pos_1_1proton1methanol,416.329045268,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1743,12496,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-HUOCPXEISA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,24+,25-,26-,27+/m1/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H44O3,pos_1_1proton1methanol,416.3290452679999,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1744,12496,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AHDUWGQSZYSNEY-UHFFFAOYSA-N,"InChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3",CC1(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CCC(=O)O1,C27H44O3,pos_1_1proton1methanol,416.329045268,AHDUWGQSZYSNEY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1745,12495,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.56334895,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,2,7.2533957958221436 1746,12492,586,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3898252,ISDB,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.059300780296326 1747,12489,1354,Fatty acids,Glycerolipids,Monoacylglycerols,0.27010956,ISDB,LXNSOWATMNHQMS-LEWJYISDSA-N,"InChI=1S/C23H44O7/c1-3-4-5-6-7-8-9-10-11-12-13-20(27)14-15-21(29-19(2)26)16-23(28)30-22(17-24)18-25/h20-22,24-25,27H,3-18H2,1-2H3/t20-,21+/m0/s1",CCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)OC(CO)CO)OC(C)=O,C23H44O7,,432.308703748,LXNSOWATMNHQMS,Fatty acids,Glycerolipids,Monoacylglycerols,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],3,3,5.580438256263733 1748,12485,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.49820456,ISDB,SOSXYUIKBSZONB-MKCQZNCWSA-N,"InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O13,,738.419042044,SOSXYUIKBSZONB,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],4,1,6.492818236351013 1749,12484,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.36275202,ISDB,ZWAMUWXPVAELPG-DOISDYQGSA-N,"InChI=1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3/t19-,20-,22+,23-,24+,25-,26-,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1",CC(=O)O[C@@H](C[C@@H]1C[C@@H](C)C(=O)O1)[C@H](C)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]12COC(=O)C2,C38H60O12,,708.40847736,ZWAMUWXPVAELPG,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Hovenia dulcis,870613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Hovenia'],['Hovenia dulcis'],4,2,6.451008081436157 1750,12478,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5145679,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.558271646499634 1751,12477,3339,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SPMYJZJNYRWSFW-VSZZGVRKSA-N,"InChI=1S/C30H46O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h9-10,12,21-23,25H,1,11,13-19H2,2-8H3/b10-9+/t21-,22-,23-,25-,28+,29-,30+/m0/s1",C=C(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C30H46O,pos_1_1proton,422.3548660919999,SPMYJZJNYRWSFW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus walteri,505082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus walteri'],7,2,8.0 1752,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.560289144515991 1753,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.560289144515991 1754,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.560289144515991 1755,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.560289144515991 1756,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.560289144515991 1757,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.560289144515991 1758,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.560289144515991 1759,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.560289144515991 1760,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.560289144515991 1761,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.560289144515991 1762,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.560289144515991 1763,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.560289144515991 1764,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.560289144515991 1765,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.560289144515991 1766,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.560289144515991 1767,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.560289144515991 1768,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.560289144515991 1769,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.560289144515991 1770,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.560289144515991 1771,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.560289144515991 1772,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.560289144515991 1773,12474,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5150723,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.560289144515991 1774,12470,-1,,,,0.6049125,ISDB,UZTWKCSXTUDYPH-KNYNWVJLSA-N,"InChI=1S/C31H44O5/c1-17-24-19(18(2)32)14-22-29(5,20(24)15-21(33)25(17)34)11-13-31(7)23-16-28(4,26(35)36)9-8-27(23,3)10-12-30(22,31)6/h14-15,18-19,23,32-34H,8-13,16H2,1-7H3,(H,35,36)/t18-,19+,23+,27+,28+,29-,30+,31-/m0/s1",Cc1c(O)c(O)cc2c1[C@@H]([C@H](C)O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C,C31H44O5,,496.318874508,UZTWKCSXTUDYPH,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],3,0,5.419650077819824 1775,12464,591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42817888,ISDB,WTFVTPDZPCKVCO-FPSIIMKOSA-N,"InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1",C/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,C24H38N4O4,,446.289305696,WTFVTPDZPCKVCO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Aspergillus sclerotiorum,932281.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus sclerotiorum'],1,0,2.71271550655365 1776,12463,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3427345,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.870937943458557 1777,12461,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,SHRSLVWLFNSTLK-UHFFFAOYSA-N,"InChI=1S/C22H24O9/c1-24-13-8-11(9-14(25-2)19(13)27-4)18-22(30-7)17(23)16-12(31-18)10-15(26-3)20(28-5)21(16)29-6/h8-10H,1-7H3",COc1cc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC,C22H24O9,pos_1_1potassium,432.14203234799993,SHRSLVWLFNSTLK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Apuleia leiocarpa,284164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Apuleia'],['Apuleia leiocarpa'],6,3,7.5 1778,12461,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,IMHDYMBDJDIPRX-UHFFFAOYSA-N,"InChI=1S/C22H24O9/c1-24-12-9-14(26-3)13(25-2)8-11(12)19-22(30-7)18(23)17-15(31-19)10-16(27-4)20(28-5)21(17)29-6/h8-10H,1-7H3",COc1cc(OC)c(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC,C22H24O9,pos_1_1potassium,432.1420323479999,IMHDYMBDJDIPRX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Distemonanthus benthamianus,804306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Distemonanthus'],['Distemonanthus benthamianus'],6,3,7.5 1779,12461,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,IMHDYMBDJDIPRX-UHFFFAOYSA-N,"InChI=1S/C22H24O9/c1-24-12-9-14(26-3)13(25-2)8-11(12)19-22(30-7)18(23)17-15(31-19)10-16(27-4)20(28-5)21(17)29-6/h8-10H,1-7H3",COc1cc(OC)c(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC,C22H24O9,pos_1_1potassium,432.1420323479999,IMHDYMBDJDIPRX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Apuleia leiocarpa,284164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Apuleia'],['Apuleia leiocarpa'],6,3,7.5 1780,12461,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,GNXIYGACTWSGIG-UHFFFAOYSA-N,"InChI=1S/C22H24O9/c1-24-12-9-8-11(17(26-3)19(12)27-4)18-22(30-7)16(23)15-13(31-18)10-14(25-2)20(28-5)21(15)29-6/h8-10H,1-7H3",COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)c(OC)c1OC,C22H24O9,pos_1_1potassium,432.142032348,GNXIYGACTWSGIG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Apuleia leiocarpa,284164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Apuleia'],['Apuleia leiocarpa'],6,3,7.5 1781,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.452203750610352 1782,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.452203750610352 1783,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.452203750610352 1784,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.452203750610352 1785,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.452203750610352 1786,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.452203750610352 1787,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.452203750610352 1788,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.452203750610352 1789,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.452203750610352 1790,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.452203750610352 1791,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.452203750610352 1792,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.452203750610352 1793,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.452203750610352 1794,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.452203750610352 1795,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.452203750610352 1796,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.452203750610352 1797,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.452203750610352 1798,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.452203750610352 1799,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.452203750610352 1800,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.452203750610352 1801,12459,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48805094,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.452203750610352 1802,12458,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,1,8.5 1803,12458,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,1,8.5 1804,12458,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 1805,12458,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,1,8.5 1806,12458,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,1,8.5 1807,12458,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,1,8.5 1808,12458,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,1,8.5 1809,12458,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 1810,12457,1755,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.35537887,ISDB,,,,,,,MGQVIUUHGTYXTD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4215154647827148 1811,12454,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3633549,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.95341956615448 1812,12450,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24334696,ISDB,,,,,,,PVTMJTZSRAKSBJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9733878374099731 1813,12448,1,Terpenoids,Steroids,Monoalkylresorcinols,0.23047851,ISDB,RFXJKCXWJAFPEB-UHFFFAOYSA-N,"InChI=1S/C21H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(17-19)26-27(23,24)25/h16-18,22H,2-15H2,1H3,(H,23,24,25)",CCCCCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1,C21H36O5S,,400.228345252,RFXJKCXWJAFPEB,Polyketides,Alkylresorcinols,Monoalkylresorcinols,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.421914041042328 1814,12440,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.4596212,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.338484764099121 1815,12440,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.4596212,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.338484764099121 1816,12439,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5915932,ISDB,SFSFDBPTPLSWRM-KXNUYETHSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,SFSFDBPTPLSWRM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,10.36637282371521 1817,12433,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.4822977,ISDB,CDAYKMDGHCTLJK-KPSKLQJESA-N,"InChI=1S/C25H38O4/c1-22(2)10-5-11-23(3)18(22)9-13-25-15-14-24(16-25,12-8-19(23)25)17-29-21(27)7-6-20(26)28-4/h14-15,18-19H,5-13,16-17H2,1-4H3/t18-,19+,23-,24+,25+/m1/s1",COC(=O)CCC(=O)OC[C@]12C=C[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3CC1)C2,C25H38O4,,402.277009696,CDAYKMDGHCTLJK,Terpenoids,Diterpenoids,Beyerane diterpenoids,Polycalymma stuartii,1076957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Polycalymma'],['Polycalymma stuartii'],3,2,5.929190754890442 1818,12432,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.58008426,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.820337057113647 1819,12431,331,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_2MNa,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 1820,12425,-1,,,,0.49986434,ISDB,ASUNVHRUJYSWCX-AXDYEKDHSA-N,"InChI=1S/C31H50O3/c1-25(2)20-9-14-27(5)19-30-17-10-21-26(3,4)24(33-8)13-16-29(21,7)31(30,34-30)18-11-22(27)28(20,6)15-12-23(25)32/h20-22,24H,9-19H2,1-8H3/t20-,21+,22-,24+,27+,28+,29+,30-,31-/m1/s1",CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@]32O4)C1(C)C,C31H50O3,,470.37599546,ASUNVHRUJYSWCX,Terpenoids,Triterpenoids,Serratane triterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,0,7.999457359313965 1821,12424,2831,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,BLVKOUKLGRRNGG-YGZBHLPXSA-N,"InChI=1S/C30H44O6/c1-16-9-12-30(25(35)36)14-13-27(4)18(22(30)17(16)2)7-8-20-26(3)15-19(31)23(32)29(6,24(33)34)21(26)10-11-28(20,27)5/h7,9,17,19-23,31-32H,8,10-15H2,1-6H3,(H,33,34)(H,35,36)/t17-,19+,20+,21+,22+,23-,26+,27+,28+,29+,30-/m0/s1",CC1=CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C,C30H44O6,pos_1_1proton1isopropanol,500.313789128,BLVKOUKLGRRNGG,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Corchorus depressus,5233031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus depressus'],6,3,7.5 1822,12423,62,Terpenoids,Triterpenoids,Lipopeptides,0.5432214,ISDB,GZBMVVDOJLBYDO-INOCUUAPSA-N,"InChI=1S/C34H52O6/c1-20(2)27(36)40-22-17-29(4,5)24-12-13-31(7)25(34(24,18-22)19-35)10-9-23-26-32(8,39)21(3)11-14-33(26,28(37)38)16-15-30(23,31)6/h9,18,20-21,24-26,35,39H,10-17,19H2,1-8H3,(H,37,38)/t21-,24+,25+,26-,30-,31-,32-,33+,34-/m1/s1",CC(C)C(=O)OC1=C[C@]2(CO)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1,C34H52O6,,556.376389384,GZBMVVDOJLBYDO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],4,2,7.1728856563568115 1823,12422,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5004419,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.501767635345459 1824,12420,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3141542,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.756616830825806 1825,12417,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.62838966,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.513558626174927 1826,12416,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,1,7.5 1827,12415,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5615406,ISDB,RIXNFYQZWDGQAE-DFHVBEEKSA-N,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O4,,498.37091008,RIXNFYQZWDGQAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,11.246162414550781 1828,12411,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.42933735,ISDB,KNZFVNRFWABEQC-SBJPKUQASA-N,"InChI=1S/C34H52O9/c1-18(35)41-26-15-25-30(3,4)43-28(38)16-27(42-19(2)36)34(25,9)24-12-13-32(7)21(10-11-23(32)33(24,26)8)20-14-22(37)29(39)31(5,6)40-17-20/h11,20-22,24-27,29,37,39H,10,12-17H2,1-9H3/t20-,21+,22+,24+,25+,26-,27+,29-,32+,33+,34-/m0/s1",CC(=O)O[C@H]1C[C@@H]2C(C)(C)OC(=O)C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]2CC[C@@]3(C)C(=CC[C@@H]3[C@@H]3COC(C)(C)[C@@H](O)[C@H](O)C3)[C@@]12C,C34H52O9,,604.361133244,KNZFVNRFWABEQC,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Luvunga sarmentosa,963973.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Luvunga'],['Luvunga scandens'],4,2,6.717349410057068 1829,12410,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,NIKLINODNHPPMX-HBWVHPEESA-N,"InChI=1S/C39H56O4/c1-24(2)26-15-18-36(5)21-22-38(7)27(34(26)36)11-13-31-37(6)19-17-32(35(3,4)30(37)16-20-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-10,12,14,23,26-27,30-32,34,40-41H,1,11,13,15-22H2,2-8H3/b14-10+/t26-,27+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O4,pos_2MMg,588.417860272,NIKLINODNHPPMX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 1830,12409,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.30741057,ISDB,JAGFWFBAWUKJLM-NDEPHWFRSA-N,"InChI=1S/C28H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)22-25(31)27-24(30)20-23(29)21-26(27)33-28/h20-21,29-30,32H,2-19,22H2,1H3/t28-/m0/s1",CCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1,C28H46O5,,462.334524572,JAGFWFBAWUKJLM,Polyketides,,,Antidesma membranaceum,3908189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Antidesmateae'],['Antidesma'],['Antidesma membranaceum'],4,0,5.229642271995544 1831,12409,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.30741057,ISDB,JAGFWFBAWUKJLM-NDEPHWFRSA-N,"InChI=1S/C28H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)22-25(31)27-24(30)20-23(29)21-26(27)33-28/h20-21,29-30,32H,2-19,22H2,1H3/t28-/m0/s1",CCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1,C28H46O5,,462.334524572,JAGFWFBAWUKJLM,Polyketides,,,Fallopia baldschuanica,362489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Fallopia'],['Fallopia baldschuanica'],4,0,5.229642271995544 1832,12409,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.30741057,ISDB,JAGFWFBAWUKJLM-NDEPHWFRSA-N,"InChI=1S/C28H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)22-25(31)27-24(30)20-23(29)21-26(27)33-28/h20-21,29-30,32H,2-19,22H2,1H3/t28-/m0/s1",CCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1,C28H46O5,,462.334524572,JAGFWFBAWUKJLM,Polyketides,,,Fallopia aubertii,258412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Fallopia'],['Fallopia aubertii'],4,0,5.229642271995544 1833,12405,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40916854,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.136674165725708 1834,12402,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5470104,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.688041687011719 1835,12402,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5470104,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.688041687011719 1836,12400,-1,,,,0.3905517,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,4.562206745147705 1837,12399,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3578755,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.931501984596252 1838,12399,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3578755,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.931501984596252 1839,12398,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.54725176,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.689007043838501 1840,12397,57,Terpenoids,Steroids,Cardenolides,0.46657312,ISDB,QYGUTIVIPHVESJ-MRNMPRJQSA-N,"InChI=1S/C47H72O20/c1-21-26(13-14-59-21)29(49)12-11-28-27(45(54)55)10-9-25-15-31(30(50)19-47(25,28)5)63-36-16-32(56-6)42(22(2)60-36)65-37-17-33(57-7)43(23(3)61-37)66-38-18-34(58-8)44(24(4)62-38)67-46-41(53)40(52)39(51)35(20-48)64-46/h9,13-14,22-24,27-28,30-44,46,48,50-53H,10-12,15-20H2,1-8H3,(H,54,55)/t22-,23+,24-,27-,28+,30-,31-,32+,33+,34+,35-,36+,37+,38+,39-,40+,41-,42-,43-,44-,46+,47+/m1/s1",CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@@H]3CC4=CC[C@@H](C(=O)O)[C@H](CCC(=O)c5ccoc5C)[C@@]4(C)C[C@H]3O)O[C@@H]2C)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1,C47H72O20,,956.461694704,QYGUTIVIPHVESJ,Terpenoids,Steroids,Pregnane steroids,Vincetoxicum atratum,854749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum atratum'],4,2,6.866292476654053 1841,12395,-1,,,,0.22316676,ISDB,FHSVMYDBGPVTTJ-UHFFFAOYSA-N,"InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3",CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,C27H48O3,,420.360345396,FHSVMYDBGPVTTJ,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,4.892667055130005 1842,12393,910,Terpenoids,Steroids,Androstane steroids,0.7386481,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.45459246635437 1843,12390,-1,,,,0.0,MS1_match,OQSJKSVZJJTGQR-MKHPODSRSA-N,"InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1",C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12,C30H42O3,pos_1_1proton1ethylamine,450.313395204,OQSJKSVZJJTGQR,Terpenoids,Diterpenoids,Cembrane diterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,0,7.0 1844,12386,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_1proton1dmso,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],6,0,6.0 1845,12386,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_1proton1dmso,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Geum reptans,829918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum reptans'],6,0,6.0 1846,12384,-1,,,,0.65982646,ISDB,KWOWNYUWWHKUCK-UHFFFAOYSA-N,"InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3",CCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1,C26H50O2,,394.38108084,KWOWNYUWWHKUCK,Fatty acids,Fatty esters,Lactones,Flourensia,113645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Flourensia'],['Unknown'],4,0,6.639305830001831 1847,12384,-1,,,,0.65982646,ISDB,KWOWNYUWWHKUCK-VWLOTQADSA-N,"InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3/t25-/m0/s1",CCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1,C26H50O2,,394.3810808399999,KWOWNYUWWHKUCK,Fatty acids,Fatty esters,Lactones,Flourensia cernua,4727351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Flourensia'],['Flourensia cernua'],4,0,6.639305830001831 1848,12383,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6344855,ISDB,MNFQTDOKETXTKR-SLUKKYMLSA-N,"InChI=1S/C34H54O10/c1-16(23-14-32(3)34(5,44-32)30(42-23)43-29-28(40)27(39)26(38)24(15-35)41-29)20-8-9-21-19-7-6-17-12-18(36)13-25(37)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-30,35-40H,7-15H2,1-5H3/t16-,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32-,33-,34+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C34H54O10,,622.371697928,MNFQTDOKETXTKR,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],4,1,7.037941932678223 1849,12382,2679,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5927558,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.871023178100586 1850,12381,-1,,,,0.40264636,ISDB,UMLDOSNQGZWGBQ-AHQCWXFASA-N,"InChI=1S/C30H42O4/c1-7-22(2)9-15-26-29(4)19-8-18-28(3,25(29)17-20-30(26,5)32)21-34-27(31)16-12-23-10-13-24(33-6)14-11-23/h7,10-14,16,25-26,32H,1-2,8-9,15,17-21H2,3-6H3/b16-12+/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O,C30H42O4,,466.30830982399993,UMLDOSNQGZWGBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,8.610585451126099 1851,12380,591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7548621,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.519448518753052 1852,12377,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48258832,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.430353283882141 1853,12377,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48258832,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.430353283882141 1854,12375,-1,,,,0.32429022,ISDB,WFVNZHRELNLEFI-ZMEWJFTKSA-N,"InChI=1S/C40H66N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30,33-37,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,33-,34+,35-,36+,37-,40-/m0/s1",C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)C(C)=O)O3)CC[C@@H]2C)O1,C40H66N2O8,,702.481917072,WFVNZHRELNLEFI,Polyketides,Linear polyketides,Open-chain polyketides,Lissoclinum bistratum,331871.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Didemnidae'],['Unknown'],['Lissoclinum'],['Lissoclinum bistratum'],1,0,2.2971608638763428 1855,12374,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4674933,ISDB,TWSDPYIVNRLSIQ-ANRMJACDSA-N,"InChI=1S/C38H58O10/c1-33(2)13-15-38(32(44)46-8)16-14-36(5)21(22(38)18-33)9-10-27-34(3)19-24(41)29(35(4,20-39)26(34)11-12-37(27,36)6)48-31-28(42)23(40)17-25(47-31)30(43)45-7/h9,17,22-24,26-29,31,39-42H,10-16,18-20H2,1-8H3/t22-,23-,24-,26+,27+,28+,29-,31-,34-,35-,36+,37+,38-/m0/s1",COC(=O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](O)C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@]34C)[C@]2(C)CO)O1,C38H58O10,,674.402998056,TWSDPYIVNRLSIQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],4,3,7.369973182678223 1856,12373,-1,,,,0.55191505,ISDB,YSKDTUNRKSSWKE-GMWHZWEHSA-N,"InChI=1S/C43H64O4/c1-36-17-9-32-40(5)15-7-13-38(3,30(40)11-19-42(32,26-36)23-21-36)28-46-34(44)25-35(45)47-29-39(4)14-8-16-41(6)31(39)12-20-43-24-22-37(2,27-43)18-10-33(41)43/h21-24,30-33H,7-20,25-29H2,1-6H3/t30-,31-,32+,33+,36-,37-,38+,39+,40-,41-,42+,43+/m1/s1",C[C@]12C=C[C@@]3(CC[C@@H]4[C@](C)(COC(=O)CC(=O)OC[C@]5(C)CCC[C@]6(C)[C@@H]5CC[C@@]57C=C[C@@](C)(CC[C@H]56)C7)CCC[C@@]4(C)[C@@H]3CC1)C2,C43H64O4,,644.480460528,YSKDTUNRKSSWKE,Terpenoids,Diterpenoids,Beyerane diterpenoids,Polycalymma stuartii,1076957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Polycalymma'],['Polycalymma stuartii'],4,0,6.20766019821167 1857,12373,-1,,,,0.55191505,ISDB,YSKDTUNRKSSWKE-JJNJUOAYSA-N,"InChI=1S/C43H64O4/c1-36-17-9-32-40(5)15-7-13-38(3,30(40)11-19-42(32,26-36)23-21-36)28-46-34(44)25-35(45)47-29-39(4)14-8-16-41(6)31(39)12-20-43-24-22-37(2,27-43)18-10-33(41)43/h21-24,30-33H,7-20,25-29H2,1-6H3/t30-,31-,32+,33+,36-,37-,38+,39+,40-,41-,42+,43+/m0/s1",C[C@@]12C=C[C@]3(CC[C@H]4[C@@](C)(COC(=O)CC(=O)OC[C@@]5(C)CCC[C@@]6(C)[C@H]5CC[C@]57C=C[C@](C)(CC[C@@H]56)C7)CCC[C@]4(C)[C@H]3CC1)C2,C43H64O4,,644.480460528,YSKDTUNRKSSWKE,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helichrysum tenax,5739651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum tenax'],4,0,6.20766019821167 1858,12373,-1,,,,0.55191505,ISDB,YSKDTUNRKSSWKE-NACJBNKXSA-N,"InChI=1S/C43H64O4/c1-36-17-9-32-40(5)15-7-13-38(3,30(40)11-19-42(32,26-36)23-21-36)28-46-34(44)25-35(45)47-29-39(4)14-8-16-41(6)31(39)12-20-43-24-22-37(2,27-43)18-10-33(41)43/h21-24,30-33H,7-20,25-29H2,1-6H3/t30-,31-,32+,33+,36+,37+,38-,39-,40+,41+,42-,43-/m0/s1",C[C@]12C=C[C@@]3(CC[C@H]4[C@](C)(COC(=O)CC(=O)OC[C@]5(C)CCC[C@]6(C)[C@H]5CC[C@@]57C=C[C@@](C)(CC[C@@H]56)C7)CCC[C@@]4(C)[C@H]3CC1)C2,C43H64O4,,644.480460528,YSKDTUNRKSSWKE,Terpenoids,Diterpenoids,Beyerane diterpenoids,Nidorella anomala,7598364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella anomala'],4,0,6.20766019821167 1859,12373,-1,,,,0.55191505,ISDB,YSKDTUNRKSSWKE-GMWHZWEHSA-N,"InChI=1S/C43H64O4/c1-36-17-9-32-40(5)15-7-13-38(3,30(40)11-19-42(32,26-36)23-21-36)28-46-34(44)25-35(45)47-29-39(4)14-8-16-41(6)31(39)12-20-43-24-22-37(2,27-43)18-10-33(41)43/h21-24,30-33H,7-20,25-29H2,1-6H3/t30-,31-,32+,33+,36-,37-,38+,39+,40-,41-,42+,43+/m1/s1",C[C@]12C=C[C@@]3(CC[C@@H]4[C@](C)(COC(=O)CC(=O)OC[C@]5(C)CCC[C@]6(C)[C@@H]5CC[C@@]57C=C[C@@](C)(CC[C@H]56)C7)CCC[C@@]4(C)[C@@H]3CC1)C2,C43H64O4,,644.480460528,YSKDTUNRKSSWKE,Terpenoids,Diterpenoids,Beyerane diterpenoids,Calocephalus knappii,774327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Calocephalus'],['Calocephalus knappii'],4,0,6.20766019821167 1860,12368,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.26352334,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.054093360900879 1861,12365,749,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41497183,ISDB,,,,,,,CEKIFRQTNCLAOR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6598873138427734 1862,12363,321,Terpenoids,Tryptophan alkaloids,Agarofuran sesquiterpenoids,0.44806212,ISDB,DOFYAVLOCYRMIV-ULTRRKBWSA-N,"InChI=1S/C36H38N4O6/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)45-7)32(39-25)31-33-30(34(42)36(31,44)35(43)46-8)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40,44H,1,10-12H2,2-8H3/t18-,22-,36-/m0/s1",C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@]4(O)C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C,C36H38N4O6,,622.2791349360001,DOFYAVLOCYRMIV,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Clerodendrum calamitosum,6086132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum calamitosum'],4,2,6.792248487472534 1863,12362,591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42534366,ISDB,WTFVTPDZPCKVCO-FPSIIMKOSA-N,"InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1",C/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,C24H38N4O4,,446.289305696,WTFVTPDZPCKVCO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Aspergillus sclerotiorum,932281.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus sclerotiorum'],1,0,2.701374650001526 1864,12360,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5694764,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.777905702590942 1865,12360,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5694764,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.777905702590942 1866,12360,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5694764,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.777905702590942 1867,12360,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5694764,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.777905702590942 1868,12360,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5694764,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.777905702590942 1869,12355,-1,,,,0.7042103,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],3,0,5.816841125488281 1870,12355,-1,,,,0.7042103,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],3,0,5.816841125488281 1871,12355,-1,,,,0.7042103,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Acca sellowiana,9529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Acca'],['Acca sellowiana'],3,0,5.816841125488281 1872,12355,-1,,,,0.7042103,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.816841125488281 1873,12355,-1,,,,0.7042103,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,0,5.816841125488281 1874,12355,-1,,,,0.7042103,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,0,5.816841125488281 1875,12355,-1,,,,0.7042103,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],3,0,5.816841125488281 1876,12355,-1,,,,0.7042103,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],3,0,5.816841125488281 1877,12353,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.2318707,ISDB,DBXOINQVJUWNRR-UHFFFAOYSA-N,"InChI=1S/C24H32O4/c1-26-20-17-15-19(16-18-20)11-8-6-4-5-7-9-12-21(25)24-22(27-2)13-10-14-23(24)28-3/h10,13-18H,4-9,11-12H2,1-3H3",COc1ccc(CCCCCCCCC(=O)c2c(OC)cccc2OC)cc1,C24H32O4,,384.230059504,DBXOINQVJUWNRR,Polyketides,Aromatic polyketides,Catechols with side chains,Myristica fragrans,710320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Myristica'],['Myristica fragrans'],3,3,5.427482783794403 1878,12352,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7301871,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.920748472213745 1879,12350,-1,,,,0.0,MS1_match,LLECJKCNZWHQRD-WRNUKHMMSA-N,"InChI=1S/C39H58O4/c1-26(2)10-9-22-39(8,42)30-19-24-37(6)29(30)16-17-32-36(5)23-21-33(35(3,4)31(36)20-25-38(32,37)7)43-34(41)18-13-27-11-14-28(40)15-12-27/h10-15,18,29-33,40,42H,9,16-17,19-25H2,1-8H3/b18-13+/t29-,30+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O4,pos_2MMg,590.433510336,LLECJKCNZWHQRD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 1880,12348,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,XLMXBOORKDWPAX-UHFFFAOYSA-N,"InChI=1S/C75H52O48/c76-23-1-14(2-24(77)42(23)86)65(102)119-62-60-35(13-113-67(104)16-5-27(80)44(88)51(95)36(16)37-17(70(107)118-60)6-28(81)45(89)52(37)96)116-75(64(62)122-66(103)15-3-25(78)43(87)26(79)4-15)123-73(110)22-10-32(85)49(93)57(101)58(22)114-33-11-21-41(56(100)50(33)94)40-18(7-29(82)48(92)55(40)99)69(106)117-59-34(12-112-68(21)105)115-74(111)63-61(59)120-71(108)19-8-30(83)46(90)53(97)38(19)39-20(72(109)121-63)9-31(84)47(91)54(39)98/h1-11,34-35,59-64,74-101,111H,12-13H2",O=C(OC1C(OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC2C(COC3=O)OC(O)C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC32)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C75H52O48,pos_3_3proton,1720.162803424,XLMXBOORKDWPAX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,0,6.0 1881,12348,141,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,XLMXBOORKDWPAX-QWHYFGCJSA-N,"InChI=1S/C75H52O48/c76-23-1-14(2-24(77)42(23)86)65(102)119-62-60-35(13-113-67(104)16-5-27(80)44(88)51(95)36(16)37-17(70(107)118-60)6-28(81)45(89)52(37)96)116-75(64(62)122-66(103)15-3-25(78)43(87)26(79)4-15)123-73(110)22-10-32(85)49(93)57(101)58(22)114-33-11-21-41(56(100)50(33)94)40-18(7-29(82)48(92)55(40)99)69(106)117-59-34(12-112-68(21)105)115-74(111)63-61(59)120-71(108)19-8-30(83)46(90)53(97)38(19)39-20(72(109)121-63)9-31(84)47(91)54(39)98/h1-11,34-35,59-64,74-101,111H,12-13H2/t34-,35-,59-,60-,61+,62+,63-,64-,74-,75+/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)O[C@H]2[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)O[C@H]4[C@H](O)O[C@@H]2COC3=O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C75H52O48,pos_3_3proton,1720.162803424,XLMXBOORKDWPAX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Corylus heterophylla,550611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus heterophylla'],6,0,6.0 1882,12347,-1,,,,0.68978894,ISDB,DFQXRQNVYVMYAU-UHFFFAOYSA-N,"InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26)27-21-20-22-16-18-23(25)19-17-22/h16-19,25H,2-15,20-21H2,1H3",CCCCCCCCCCCCCCCC(=O)OCCc1ccc(O)cc1,C24H40O3,,376.29774514,DFQXRQNVYVMYAU,,,,Buddleja cordata,83885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja cordata'],4,0,6.759155750274658 1883,12339,-1,,,,0.0,MS1_match,HTVLXKLSWSSUKB-HLULTAIVSA-N,"InChI=1S/C19H34O4/c1-16(2)9-6-10-17(3)13(16)7-11-18(4,22)14(17)8-12-19(5,23)15(20)21/h13-14,22-23H,6-12H2,1-5H3,(H,20,21)/t13-,14+,17-,18+,19+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CC[C@@](C)(O)C(=O)O)[C@](C)(O)CC[C@@H]12,C19H34O4,pos_2MK,326.245709568,HTVLXKLSWSSUKB,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 1884,12338,109,Fatty acids,Fatty amides,Primary amides,0.49252862,ISDB,BEYAPDNDPYAWHT-UHFFFAOYSA-N,"InChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h16-17,19H,4-15,18H2,1-3H3,(H,21,22)",CCCCCCCCCCCCCC=CC(=O)NCC(C)C,C20H39NO,,309.303164868,BEYAPDNDPYAWHT,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,2,6.970114469528198 1885,12335,-1,,,,0.7875721,ISDB,JUEHBQGSIXIHCE-PKOBYXMFSA-N,"InChI=1S/C23H26O4/c1-5-25-19-13-17(15-9-7-6-8-10-15)26-20-14-18-16(22(24-4)21(19)20)11-12-23(2,3)27-18/h6-12,14,17,19H,5,13H2,1-4H3/t17-,19+/m0/s1",CCO[C@@H]1C[C@@H](c2ccccc2)Oc2cc3c(c(OC)c21)C=CC(C)(C)O3,C23H26O4,,366.183109312,JUEHBQGSIXIHCE,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Lonchocarpus guatemalensis,379585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus guatemalensis'],3,0,6.150288343429565 1886,12333,829,Shikimates and Phenylpropanoids,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.42122224,ISDB,LFFGARMIFWEHDF-UHFFFAOYSA-N,"InChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3",CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O,C30H38O4,,462.277009696,LFFGARMIFWEHDF,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Helichrysum tenuiculum,7601435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum tenuiculum'],3,3,6.184888958930969 1887,12333,829,Shikimates and Phenylpropanoids,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.42122224,ISDB,LFFGARMIFWEHDF-UHFFFAOYSA-N,"InChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3",CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O,C30H38O4,,462.277009696,LFFGARMIFWEHDF,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Helichrysum polycladum,5784792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum polycladum'],3,3,6.184888958930969 1888,12333,829,Shikimates and Phenylpropanoids,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.42122224,ISDB,LFFGARMIFWEHDF-UHFFFAOYSA-N,"InChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3",CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O,C30H38O4,,462.277009696,LFFGARMIFWEHDF,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Helichrysum tenuifolium,7601436.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum tenuifolium'],3,3,6.184888958930969 1889,12332,109,Fatty acids,Fatty amides,Primary amides,0.48352173,ISDB,BEYAPDNDPYAWHT-UHFFFAOYSA-N,"InChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h16-17,19H,4-15,18H2,1-3H3,(H,21,22)",CCCCCCCCCCCCCC=CC(=O)NCC(C)C,C20H39NO,,309.303164868,BEYAPDNDPYAWHT,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],3,2,5.934086918830872 1890,12331,-1,,,,0.4953742,ISDB,BEYAPDNDPYAWHT-UHFFFAOYSA-N,"InChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h16-17,19H,4-15,18H2,1-3H3,(H,21,22)",CCCCCCCCCCCCCC=CC(=O)NCC(C)C,C20H39NO,,309.303164868,BEYAPDNDPYAWHT,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],3,0,4.981496810913086 1891,12330,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.22937855,ISDB,,,,,,,GRXQVLCZJYBDDD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9175142049789429 1892,12329,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.50775146,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.531005859375 1893,12320,-1,,,,0.61247975,ISDB,DDCXFQXXQUYLQV-LFDWGOBLSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,19,22-27H,4,7-8,10-12,14-17H2,1-3,5-6H3/t19-,22+,23-,24+,25-,26-,27+,29+,30-/m0/s1",C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12,C30H44O2,,436.334130648,DDCXFQXXQUYLQV,Terpenoids,,,Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,6.449918985366821 1894,12319,-1,,,,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1methanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 1895,12319,-1,,,,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1methanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 1896,12319,-1,,,,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1methanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 1897,12319,-1,,,,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1methanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 1898,12316,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.45808807,ISDB,UUPUEDUABCUXQM-SLYFPBAESA-N,"InChI=1S/C41H68O13/c1-36(2)13-14-41(20-44)22(15-36)21-7-8-26-37(3)11-10-28(38(4,19-43)25(37)9-12-39(26,5)40(21,6)16-27(41)46)53-35-33(29(47)23(45)18-51-35)54-34-32(50)31(49)30(48)24(17-42)52-34/h7,22-35,42-50H,8-20H2,1-6H3/t22-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33+,34-,35-,37-,38-,39+,40+,41+/m0/s1",CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H68O13,,768.4659922360001,UUPUEDUABCUXQM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lysimachia heterogenea,106771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Lysimachia'],['Lysimachia heterogenea'],4,3,7.33235228061676 1899,12313,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.32154614,ISDB,,,,,,,BFWCJSHLVDEBMU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.286184549331665 1900,12312,2034,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RIXNFYQZWDGQAE-DFHVBEEKSA-N,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O4,pos_1_1proton1methanol,498.37091008,RIXNFYQZWDGQAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 1901,12312,2034,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RIXNFYQZWDGQAE-DFHVBEEKSA-N,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O4,pos_1_1proton1methanol,498.37091008,RIXNFYQZWDGQAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 1902,12311,347,Terpenoids,Triterpenoids,Cholestane steroids,0.4482116,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,9.792846441268921 1903,12311,347,Terpenoids,Triterpenoids,Cholestane steroids,0.4482116,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,2,9.792846441268921 1904,12311,347,Terpenoids,Triterpenoids,Cholestane steroids,0.4482116,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,9.792846441268921 1905,12311,347,Terpenoids,Triterpenoids,Cholestane steroids,0.4482116,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,2,9.792846441268921 1906,12311,347,Terpenoids,Triterpenoids,Cholestane steroids,0.4482116,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,2,9.792846441268921 1907,12309,-1,,,,0.20326559,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.813062369823456 1908,12307,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49118683,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.464747309684753 1909,12307,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49118683,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.464747309684753 1910,12307,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49118683,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,3,9.464747309684753 1911,12307,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49118683,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,3,9.464747309684753 1912,12307,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49118683,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,3,9.464747309684753 1913,12303,-1,,,,0.5788035,ISDB,VWWIQUPEGPHXDE-UHFFFAOYSA-N,"InChI=1S/C29H42O3/c1-17-9-11-25(3)16-23-28(6)21-10-12-26(4)18(2)19(30)7-8-20(26)27(21,5)13-14-29(28,22(25)15-17)24(31)32-23/h18,20-23H,1,7-16H2,2-6H3",C=C1CCC2(C)CC3OC(=O)C4(CCC5(C)C6CCC(=O)C(C)C6(C)CCC5C34C)C2C1,C29H42O3,,438.313395204,VWWIQUPEGPHXDE,Terpenoids,,,Oncoba glauca,4730204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Unknown'],['Oncoba'],['Oncoba glauca'],3,0,5.315213918685913 1914,12303,-1,,,,0.5788035,ISDB,VWWIQUPEGPHXDE-ZQGYFWGMSA-N,"InChI=1S/C29H42O3/c1-17-9-11-25(3)16-23-28(6)21-10-12-26(4)18(2)19(30)7-8-20(26)27(21,5)13-14-29(28,22(25)15-17)24(31)32-23/h18,20-23H,1,7-16H2,2-6H3/t18-,20+,21-,22+,23-,25+,26+,27-,28-,29-/m0/s1",C=C1CC[C@]2(C)C[C@@H]3OC(=O)[C@]4(CC[C@@]5(C)[C@@H]6CCC(=O)[C@H](C)[C@@]6(C)CC[C@@H]5[C@@]34C)[C@@H]2C1,C29H42O3,,438.313395204,VWWIQUPEGPHXDE,Terpenoids,,,Caloncoba lophocarpa,737362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Lindackerieae'],['Caloncoba'],['Caloncoba lophocarpa'],3,0,5.315213918685913 1915,12303,-1,,,,0.5788035,ISDB,VWWIQUPEGPHXDE-ZQGYFWGMSA-N,"InChI=1S/C29H42O3/c1-17-9-11-25(3)16-23-28(6)21-10-12-26(4)18(2)19(30)7-8-20(26)27(21,5)13-14-29(28,22(25)15-17)24(31)32-23/h18,20-23H,1,7-16H2,2-6H3/t18-,20+,21-,22+,23-,25+,26+,27-,28-,29-/m0/s1",C=C1CC[C@]2(C)C[C@@H]3OC(=O)[C@]4(CC[C@@]5(C)[C@@H]6CCC(=O)[C@H](C)[C@@]6(C)CC[C@@H]5[C@@]34C)[C@@H]2C1,C29H42O3,,438.313395204,VWWIQUPEGPHXDE,Terpenoids,,,Caloncoba glauca,4730204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Unknown'],['Oncoba'],['Oncoba glauca'],3,0,5.315213918685913 1916,12301,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.4817625,ISDB,CRQJNUDJAFTKLZ-PFLGHXLPSA-N,"InChI=1S/C43H72O14/c1-21(44)54-32-30(49)24(47)20-53-36(32)56-27-11-13-40(7)34(37(27,2)3)25(55-35-31(50)29(48)23(46)19-52-35)17-26-39(40,6)15-16-41(8)33(22(45)18-42(26,41)9)43(10)14-12-28(57-43)38(4,5)51/h22-36,45-51H,11-20H2,1-10H3/t22-,23+,24+,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,35-,36-,39+,40-,41+,42-,43+/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H]([C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C[C@H]4[C@]5(C)C[C@H](O)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@]5(C)CC[C@]43C)C2(C)C)OC[C@@H](O)[C@@H]1O,C43H72O14,,812.492206984,CRQJNUDJAFTKLZ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Astragalus sieversianus,278204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus sieversianus'],4,0,5.927049994468689 1917,12299,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6471576,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.588630437850952 1918,12298,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.53448224,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,0,6.1379289627075195 1919,12297,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.55335397,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,0,6.213415861129761 1920,12295,-1,,,,0.63806546,ISDB,SUAQMIMGKZVLBE-UHFFFAOYSA-N,"InChI=1S/C26H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)23(27)21-24(30-2)26(22)29/h21,28H,3-20H2,1-2H3",CCCCCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O,C26H44O4,,420.3239598879999,SUAQMIMGKZVLBE,Polyketides,Aromatic polyketides,Benzoquinones,Iris kemaonensis,248940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris kemaonensis'],4,0,6.552261829376221 1921,12292,1538,,,,0.41066167,ISDB,,,,,,,VSBSGPAHKWUVGP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6426466703414917 1922,12290,-1,,,,0.25456747,ISDB,UWYUUTATFZTCJJ-UHFFFAOYSA-N,"InChI=1S/C44H74O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(46)56-40(35-53-44-43(49)42(48)41(47)37(54-44)36-57(50,51)52)55-38(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40-44,47-49H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,50,51,52)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C44H74O12S,,826.490098808,UWYUUTATFZTCJJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Porphyra yezoensis,726215.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Unknown'],['Bangiales'],['Bangiaceae'],['Unknown'],['Pyropia'],['Pyropia yezoensis'],2,0,3.018269896507263 1923,12288,-1,,,,0.42800692,ISDB,MPDOBZNQILXTTA-QMAJUGSESA-N,"InChI=1S/C36H56O13/c1-17-32(49-33-31(42)30(41)29(40)25(15-37)48-33)24(44-4)13-27(46-17)47-20-7-9-34(2)19(12-20)5-6-22-21(34)8-10-35(3)28(18-11-26(39)45-16-18)23(38)14-36(22,35)43/h11,17,19-25,27-33,37-38,40-43H,5-10,12-16H2,1-4H3/t17-,19+,20-,21-,22+,23+,24-,25+,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+/m0/s1",CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@H](O)C[C@@]43O)C2)O[C@@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C36H56O13,,696.372091852,MPDOBZNQILXTTA,Terpenoids,Steroids,Cardenolides,Strophanthus kombe,981080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Nerieae'],['Strophanthus'],['Strophanthus kombe'],4,0,5.712027668952942 1924,12283,-1,,,,0.37608588,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,0,5.504343509674072 1925,12280,-1,,,,0.5876313,ISDB,DUXRZOJDWQOQKE-CKARLABJSA-N,"InChI=1S/C30H46O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9-10,22-23H,11-19H2,1-8H3/t22-,23+,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C,C30H46O,,422.354866092,DUXRZOJDWQOQKE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,0,6.350525140762329 1926,12279,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5039548,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.515819311141968 1927,12277,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40219828,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.108793139457703 1928,12275,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.54639125,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.685564994812012 1929,12274,498,Fatty acids,Fatty acyls,Hydrocarbons,0.55150855,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora monticola,5656295.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora monticola'],1,3,4.706034183502197 1930,12274,498,Fatty acids,Fatty acyls,Hydrocarbons,0.55150855,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora obscura,5407375.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora obscura'],1,3,4.706034183502197 1931,12274,498,Fatty acids,Fatty acyls,Hydrocarbons,0.55150855,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora rosacea,5656304.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora rosacea'],1,3,4.706034183502197 1932,12274,498,Fatty acids,Fatty acyls,Hydrocarbons,0.55150855,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora sonderi,5988306.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora sonderi'],1,3,4.706034183502197 1933,12273,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7624506,ISDB,ZSZRRSWODAXOPL-VMLRXSKPSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15-,16-,17+,18-,19-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia guacharaca,7051684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Espeletiopsis'],['Espeletiopsis guacharaca'],3,3,7.549802303314209 1934,12273,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7624506,ISDB,ZSZRRSWODAXOPL-VMLRXSKPSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15-,16-,17+,18-,19-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletiopsis guacharaca,7051684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Espeletiopsis'],['Espeletiopsis guacharaca'],3,3,7.549802303314209 1935,12273,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7624506,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia tamana,7051700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus tamanus'],3,3,7.549802303314209 1936,12273,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7624506,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Libanothamnus tamanus,7051700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus tamanus'],3,3,7.549802303314209 1937,12273,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7624506,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia wurdackii,7606576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Carramboa'],['Carramboa wurdackii'],3,3,7.549802303314209 1938,12273,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7624506,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Carramboa wurdackii,7606576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Carramboa'],['Carramboa wurdackii'],3,3,7.549802303314209 1939,12273,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7624506,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Libanothamnus banksiifolius,7606707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus banksiifolius'],3,3,7.549802303314209 1940,12272,2718,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5186461,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.574584484100342 1941,12272,2718,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5186461,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.574584484100342 1942,12271,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.79265946,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.670637845993042 1943,12267,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.26319906,ISDB,QBUSATFFOUNQGV-APCQCXEZSA-N,"InChI=1S/C39H65N5O8/c1-13-14-16-25(6)22-26(7)37(49)41(11)31(21-23(2)3)35(47)40-36(48)34(28(9)52-29(10)45)42(12)33(24(4)5)39(51)43-20-15-17-30(43)38(50)44-27(8)18-19-32(44)46/h18-19,23-28,30-31,33-34H,13-17,20-22H2,1-12H3,(H,40,47,48)/t25-,26-,27+,28-,30+,31+,33+,34+/m1/s1",CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(=O)[C@H]([C@@H](C)OC(C)=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C,C39H65N5O8,,731.48331404,QBUSATFFOUNQGV,Amino acids and Peptides,Oligopeptides,Linear peptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,0,1.0527962446212769 1944,12265,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.33514905,ISDB,ZWAMUWXPVAELPG-DOISDYQGSA-N,"InChI=1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3/t19-,20-,22+,23-,24+,25-,26-,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1",CC(=O)O[C@@H](C[C@@H]1C[C@@H](C)C(=O)O1)[C@H](C)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]12COC(=O)C2,C38H60O12,,708.40847736,ZWAMUWXPVAELPG,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Hovenia dulcis,870613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Hovenia'],['Hovenia dulcis'],4,2,6.3405961990356445 1945,12262,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,XFGCWXJSPYRAAG-IJVYCZBBSA-N,"InChI=1S/C32H52O3/c1-20(33)35-24-12-13-29(6)22(28(24,4)5)11-14-31(8)23(29)10-9-21-25-26-27(2,3)15-17-32(25,19-34-26)18-16-30(21,31)7/h21-26H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,26-,29+,30-,31-,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O3,pos_1_minus1proton1magnesium,484.391645524,XFGCWXJSPYRAAG,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,8.0 1946,12261,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40407282,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,2,7.616291284561157 1947,12261,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40407282,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella esculenta,223079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella esculenta'],5,2,7.616291284561157 1948,12261,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40407282,ISDB,RWNHLTKFBKYDOJ-WLVUEYHVSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis fissa,651161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis fissa'],5,2,7.616291284561157 1949,12261,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40407282,ISDB,RWNHLTKFBKYDOJ-IJDLJTCJSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19?,20-,21?,22?,23+,26+,27+,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1,C30H48O5,,488.350174636,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,2,7.616291284561157 1950,12261,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40407282,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica gale,79360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica gale'],5,2,7.616291284561157 1951,12261,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40407282,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,7.616291284561157 1952,12261,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40407282,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,7.616291284561157 1953,12260,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NOLGXQBEFHYZHI-QPBHWVAKSA-N,"InChI=1S/C27H42O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-20H,7-16H2,1-6H3/t17-,18+,19+,20-,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H42O3,pos_1_1proton1methanol,414.313395204,NOLGXQBEFHYZHI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1954,12260,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NOLGXQBEFHYZHI-QPBHWVAKSA-N,"InChI=1S/C27H42O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-20H,7-16H2,1-6H3/t17-,18+,19+,20-,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H42O3,pos_1_1proton1methanol,414.313395204,NOLGXQBEFHYZHI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 1955,12259,347,Terpenoids,Triterpenoids,Cholestane steroids,0.5061625,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,7.5246500968933105 1956,12255,363,Fatty acids,Fatty amides,Primary amides,0.6370227,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,8.048090696334839 1957,12254,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31171972,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.746878862380981 1958,12250,363,Fatty acids,Fatty amides,Primary amides,0.63567376,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,8.042695045471191 1959,12249,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.25441238,ISDB,KZGQZFOHDQWSJK-OPSGKIFQSA-N,"InChI=1S/C40H56O4/c1-23(2)25-17-28-29(19-31(25)41)39(9)15-12-14-38(7,8)36(39)22-34(28)44-43-33-20-30-27(18-26(33)24(3)4)32(42)21-35-37(5,6)13-11-16-40(30,35)10/h17-20,23-24,34-36,41H,11-16,21-22H2,1-10H3/t34-,35-,36-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C40H56O4,,600.417860272,KZGQZFOHDQWSJK,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],3,3,5.517649531364441 1960,12248,363,Fatty acids,Fatty amides,Primary amides,0.63799405,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],3,3,7.051976203918457 1961,12242,363,Fatty acids,Fatty amides,Primary amides,0.63267046,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,8.030681848526001 1962,12236,1010,Terpenoids,Steroids,Catechols with side chains,0.0,MS1_match,HCXVJBMSMIARIN-PHZDYDNGSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O,pos_1_minus1proton1magnesium,412.3705161559999,HCXVJBMSMIARIN,Terpenoids,Steroids,Cholestane steroids,Cornus canadensis,148259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus canadensis'],7,2,8.0 1963,12236,1010,Terpenoids,Steroids,Catechols with side chains,0.0,MS1_match,HCXVJBMSMIARIN-PHZDYDNGSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O,pos_1_minus1proton1magnesium,412.3705161559999,HCXVJBMSMIARIN,Terpenoids,Steroids,Cholestane steroids,Cornus canadensis,148259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus canadensis'],7,2,8.0 1964,12235,1010,Terpenoids,Steroids,Catechols with side chains,0.43575338,ISDB,GMBQZIIUCVWOCD-UQHLGXRBSA-N,"InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H44O3,,416.3290452679999,GMBQZIIUCVWOCD,Terpenoids,Steroids,Spirostane steroids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,2,9.743013501167297 1965,12234,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36267936,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.950717449188232 1966,12227,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.42650893,ISDB,JHUWVMXELQZRFA-MMWJASJTSA-N,"InChI=1S/C34H50O7/c1-19(2)14-24-15-23(18-39-24)25-10-11-27-32(25,7)13-12-28-33(8,30(17-31(37)38)41-22(6)36)26(20(3)4)16-29(34(27,28)9)40-21(5)35/h11,14,23-26,28-30H,3,10,12-13,15-18H2,1-2,4-9H3,(H,37,38)/t23-,24-,25+,26+,28-,29-,30+,32+,33-,34+/m1/s1",C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@H]4CO[C@H](C=C(C)C)C4)[C@]3(C)CC[C@@H]2[C@]1(C)[C@H](CC(=O)O)OC(C)=O,C34H50O7,,570.35565394,JHUWVMXELQZRFA,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aglaia argentea,627552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia argentea'],4,2,6.706035733222961 1967,12226,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.6999081,ISDB,XUOFYJKRVBHVBO-JYRBIGNMSA-N,"InChI=1S/C32H46O5/c1-18-8-13-31-15-14-30(7)29(6)12-9-19-27(4,11-10-21-28(19,5)17-34-26(2,3)36-21)23(29)22-24(35-22)32(30,20(31)16-18)37-25(31)33/h19-24H,1,8-17H2,2-7H3/t19-,20-,21+,22+,23-,24+,27+,28+,29-,30+,31+,32-/m1/s1",C=C1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@@H]3OC(C)(C)OC[C@@]3(C)[C@@H]2CC[C@]14C,C32H46O5,,510.334524572,XUOFYJKRVBHVBO,Terpenoids,,,Paeonia anomala,985348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia anomala'],4,1,7.29963231086731 1968,12226,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.6999081,ISDB,XUOFYJKRVBHVBO-JYRBIGNMSA-N,"InChI=1S/C32H46O5/c1-18-8-13-31-15-14-30(7)29(6)12-9-19-27(4,11-10-21-28(19,5)17-34-26(2,3)36-21)23(29)22-24(35-22)32(30,20(31)16-18)37-25(31)33/h19-24H,1,8-17H2,2-7H3/t19-,20-,21+,22+,23-,24+,27+,28+,29-,30+,31+,32-/m1/s1",C=C1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@@H]3OC(C)(C)OC[C@@]3(C)[C@@H]2CC[C@]14C,C32H46O5,,510.334524572,XUOFYJKRVBHVBO,Terpenoids,,,Paeonia veitchii,633846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia veitchii'],4,1,7.29963231086731 1969,12224,-1,,,,0.0,MS1_match,KYRNFTRJARVVEU-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-2-6(8)9-5(4)3-7/h2-3,8H,1H3",Cc1cc(O)oc1C=O,C6H6O3,pos_1_1proton1methanol,126.031694052,KYRNFTRJARVVEU,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 1970,12224,-1,,,,0.0,MS1_match,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,pos_1_1proton1methanol,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 1971,12224,-1,,,,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_2_2proton,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 1972,12220,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.29007843,ISDB,YWBKKENLEYFYSE-FONAMCPPSA-N,"InChI=1S/C40H54O5/c1-22(2)24-17-26-28(19-30(24)41)39(9)15-11-13-37(5,6)33(39)21-32(26)45-44-31-20-29-27(18-25(31)23(3)4)34(42)35(43)36-38(7,8)14-12-16-40(29,36)10/h17-20,22-23,32-33,41,43H,11-16,21H2,1-10H3/t32-,33-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C,C40H54O5,,614.397124828,YWBKKENLEYFYSE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,1,6.660313725471497 1973,12214,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_1_minus1proton2sodium,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,0,6.0 1974,12214,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_1_minus1proton2sodium,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,0,6.0 1975,12213,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,KCYOZNARADAZIZ-GZIUEBSLSA-N,"InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+/t32-,33+,34+,39-,40+/m1/s1",CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1,C40H56O3,pos_1_minus1proton2sodium,584.422945652,KCYOZNARADAZIZ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1976,12213,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,OFNSUWBAQRCHAV-OYQUVCAXSA-N,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1,C40H56O3,pos_1_minus1proton2sodium,584.422945652,OFNSUWBAQRCHAV,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 1977,12210,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.63756114,ISDB,IYXBTKNDTJJVGH-XKHAUXSQSA-N,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)21(25)18-17-20(24)22(23)26/h9-10,17-18,20,22,24,26-27H,2-8,11-16,19H2,1H3/b10-9-/t20-,22+,23-/m0/s1",CCCCCCCC/C=C\CCCCCCC[C@]1(O)C(=O)C=C[C@H](O)[C@H]1O,C23H40O4,,380.2926597599999,IYXBTKNDTJJVGH,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Pleiogynium timoriense,405980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pleiogynium'],['Pleiogynium timoriense'],4,3,8.050244569778442 1978,12210,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.63756114,ISDB,IYXBTKNDTJJVGH-XKHAUXSQSA-N,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)21(25)18-17-20(24)22(23)26/h9-10,17-18,20,22,24,26-27H,2-8,11-16,19H2,1H3/b10-9-/t20-,22+,23-/m0/s1",CCCCCCCC/C=C\CCCCCCC[C@]1(O)C(=O)C=C[C@H](O)[C@H]1O,C23H40O4,,380.2926597599999,IYXBTKNDTJJVGH,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Pleiogynium timorense,405980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pleiogynium'],['Pleiogynium timoriense'],4,3,8.050244569778442 1979,12209,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.3944121,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.577648401260376 1980,12209,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.3944121,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.577648401260376 1981,12208,-1,,,,0.0,MS1_match,OKGZCXPDJKKZAP-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3",Cc1ccc(CO)cc1C,C9H12O,pos_1_minus1proton1magnesium,136.088815004,OKGZCXPDJKKZAP,,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 1982,12207,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.41241375,ISDB,WDPGVNDSNNDCOT-CRIWHUKNSA-N,"InChI=1S/C36H56O10/c1-31(2)11-13-36(30(44)46-29-28(43)27(42)26(41)21(17-37)45-29)14-12-33(4)19(20(36)16-31)7-8-23-34(33,5)10-9-22-32(3,18-38)24(39)15-25(40)35(22,23)6/h7,20-24,26-29,37-39,41-43H,8-18H2,1-6H3/t20-,21+,22-,23-,24-,26+,27-,28+,29-,32-,33+,34+,35-,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,,648.3873479919998,WDPGVNDSNNDCOT,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,3,8.149654984474182 1983,12202,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5778548,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.811419248580933 1984,12202,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5778548,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,3,9.811419248580933 1985,12202,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5778548,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.811419248580933 1986,12202,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5778548,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.811419248580933 1987,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-YOVQKNEVSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus thomsonii,3909565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus thomsonii'],4,3,7.724025726318359 1988,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-YOVQKNEVSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus velutinus,1051539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion velutinum'],4,3,7.724025726318359 1989,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion,3953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Unknown'],4,3,7.724025726318359 1990,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion philippicum,1051527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion philippicum'],4,3,7.724025726318359 1991,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus watsonii,3909274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus watsonii'],4,3,7.724025726318359 1992,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus eriocarpus,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,3,7.724025726318359 1993,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus flexuosus,772625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus flexuosus'],4,3,7.724025726318359 1994,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Byrsonima microphylla,6102017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Malpighiaceae'],['Unknown'],['Byrsonima'],['Byrsonima microphylla'],4,3,7.724025726318359 1995,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion puberum,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,7.724025726318359 1996,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus puberus,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,7.724025726318359 1997,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus hohenackeri,3909495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus hohenackeri'],4,3,7.724025726318359 1998,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion eriocarpum,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,3,7.724025726318359 1999,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia cuzcoina,6092941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia cuzcoina'],4,3,7.724025726318359 2000,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Breynia fruticosa,721777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Breynia'],['Breynia fruticosa'],4,3,7.724025726318359 2001,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus taxodiifolius,772623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus taxodiifolius'],4,3,7.724025726318359 2002,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus sellowianus,425591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus sellowianus'],4,3,7.724025726318359 2003,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia chiapensis,6092929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia chiapensis'],4,3,7.724025726318359 2004,12200,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.55600643,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion zeylanicum,1051538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion zeylanicum'],4,3,7.724025726318359 2005,12199,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.44765294,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.790611743927002 2006,12199,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.44765294,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.790611743927002 2007,12198,807,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.22876154,ISDB,QIEGUUNVEUEFPY-RWAFDYDPSA-N,"InChI=1S/C46H64O8/c1-29(15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(48)27-46(37,9)10)17-13-19-31(3)21-23-36-33(5)25-35(26-45(36,7)8)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,38+,39-,41-,42+,43-,44-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C46H64O8,,744.460119008,QIEGUUNVEUEFPY,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Escherichia coli,474506.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Enterobacteriaceae'],['Unknown'],['Unknown'],['Escherichia coli'],0,3,2.4150461554527283 2008,12194,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 2009,12190,1265,Terpenoids,Diterpenoids,Cembrane diterpenoids,0.31735954,ISDB,OQSJKSVZJJTGQR-MKHPODSRSA-N,"InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1",C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12,C30H42O3,,450.313395204,OQSJKSVZJJTGQR,Terpenoids,Diterpenoids,Cembrane diterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,3,9.76943814754486 2010,12189,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.31927514,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.777100563049316 2011,12186,57,Terpenoids,Steroids,Cardenolides,0.40347666,ISDB,,,,,,,GNSRPGBSBNMVFN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6139066219329834 2012,12180,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38461328,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.038453102111816 2013,12177,1265,Terpenoids,Diterpenoids,Cembrane diterpenoids,0.0,MS1_match,OQSJKSVZJJTGQR-MKHPODSRSA-N,"InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1",C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12,C30H42O3,pos_1_1proton1ammonium,450.313395204,OQSJKSVZJJTGQR,Terpenoids,Diterpenoids,Cembrane diterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,3,8.5 2014,12174,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_1proton1dmso,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 2015,12174,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_1proton1dmso,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 2016,12173,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4214805,ISDB,PZUXCVGZGCVETM-PKMGEXTCSA-N,"InChI=1S/C35H52N2O4/c1-22(37(6)7)29-25(41-23(2)39)19-33(5)27-14-13-26-31(3,21-38)28(36-30(40)24-11-9-8-10-12-24)15-16-34(26)20-35(27,34)18-17-32(29,33)4/h8-12,22,25-29,38H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,29-,31+,32+,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H52N2O4,,564.392708144,PZUXCVGZGCVETM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],4,0,5.685922026634216 2017,12172,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,pos_1_1proton1methanol,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,3,8.5 2018,12172,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,pos_1_1proton1methanol,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,3,8.5 2019,12168,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.74884665,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9953866004943848 2020,12167,1265,Terpenoids,Diterpenoids,Cembrane diterpenoids,0.5771915,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],4,2,7.308765888214111 2021,12165,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.37362927,ISDB,HOMLVLVMIWTMDJ-NUKJGDNJSA-N,"InChI=1S/C39H60O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h6,15-17,19-33,35-36,40-47H,7-14H2,1-5H3/t15-,16+,17+,19+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39+/m1/s1",C[C@@H]1C[C@@H](O)[C@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H60O15,,768.39322122,HOMLVLVMIWTMDJ,Terpenoids,Steroids,Furostane steroids,Solanum amygdalifolium,886510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amygdalifolium'],4,1,5.994517087936401 2022,12155,1755,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47868595,ISDB,CTNMEILPFLBLSC-JQYXXFQLSA-N,"InChI=1S/C42H62O9/c1-21(2)35-27-14-33(43)23(5)26-11-13-41(48,20-51-9)32(26)18-42(49,38(35)46)28(27)15-30-37(45)36(22(3)4)29-16-34(44)24(6)25-10-12-40(47,19-50-8)31(25)17-39(29,30)7/h17-18,21-26,28,30,33-34,43-44,47-49H,10-16,19-20H2,1-9H3/b31-17+,32-18+/t23-,24-,25+,26+,28-,30-,33+,34+,39-,40+,41+,42+/m1/s1",COC[C@@]1(O)CC[C@@H]2/C1=C\[C@@]1(O)C(=O)C(C(C)C)=C(C[C@H](O)[C@@H]2C)[C@H]1C[C@@H]1C(=O)C(C(C)C)=C2C[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)/C3=C/[C@]21C,C42H62O9,,710.439383564,CTNMEILPFLBLSC,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Alternaria brassicicola,380927.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Pleosporaceae'],['Unknown'],['Alternaria'],['Alternaria brassicicola'],1,1,3.4147437810897827 2023,12151,222,,,,0.2970667,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],4,0,5.188266754150391 2024,12150,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5051184,ISDB,QOGCRIPTNFPMGC-YGEHHLFGSA-N,"InChI=1S/C32H50O3/c1-19(33)34-23-12-15-30(7)20(28(23,4)5)11-14-31(8)21-10-13-29(6)17-16-27(2,3)18-22(29)32(21,9)26-24(35-26)25(30)31/h10,20,22-26H,11-18H2,1-9H3/t20-,22+,23-,24-,25+,26-,29-,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@H]54)[C@]3(C)CC[C@H]2C1(C)C,C32H50O3,,482.37599546,QOGCRIPTNFPMGC,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Ficus fistulosa,116272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus fistulosa'],4,2,7.0204737186431885 2025,12144,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.48061097,ISDB,ZNHPQEDTLCHPAZ-JDEACCKASA-N,"InChI=1S/C37H58O9/c1-21(39)45-29-28(41)24(40)19-44-30(29)46-27-11-12-33(4)25(34(27,5)20-38)10-13-36(7)26(33)9-8-22-23-18-32(2,3)14-16-37(23,31(42)43)17-15-35(22,36)6/h8,23-30,38,40-41H,9-20H2,1-7H3,(H,42,43)/t23-,24-,25+,26+,27-,28-,29+,30-,33-,34-,35+,36+,37-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@H](O)[C@@H]1O,C37H58O9,,646.4080834360001,ZNHPQEDTLCHPAZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus polyphyllus,69050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus polyphyllus'],3,1,5.422443866729736 2026,12144,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.48061097,ISDB,ZNHPQEDTLCHPAZ-JDEACCKASA-N,"InChI=1S/C37H58O9/c1-21(39)45-29-28(41)24(40)19-44-30(29)46-27-11-12-33(4)25(34(27,5)20-38)10-13-36(7)26(33)9-8-22-23-18-32(2,3)14-16-37(23,31(42)43)17-15-35(22,36)6/h8,23-30,38,40-41H,9-20H2,1-7H3,(H,42,43)/t23-,24-,25+,26+,27-,28-,29+,30-,33-,34-,35+,36+,37-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@H](O)[C@@H]1O,C37H58O9,,646.4080834360001,ZNHPQEDTLCHPAZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus lawii,759796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus lawii'],3,1,5.422443866729736 2027,12140,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.286701,ISDB,SFDCJCLBKPVTLL-CGZIXDKBSA-N,"InChI=1S/C38H60O11/c1-33(2)13-15-38(32(45)47-8)16-14-35(4)20(21(38)17-33)9-10-24-34(3)18-22(40)29(49-30-28(43)27(42)26(41)23(19-39)48-30)37(6,31(44)46-7)25(34)11-12-36(24,35)5/h9,21-30,39-43H,10-19H2,1-8H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,34+,35+,36+,37-,38-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C38H60O11,,692.41356274,SFDCJCLBKPVTLL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],3,1,4.646803975105286 2028,12137,-1,,,,0.44366327,ISDB,,,,,,,BXCCZKVECWBUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7746530771255493 2029,12136,1242,Terpenoids,Steroids,Stigmastane steroids,0.3065023,ISDB,HCXVJBMSMIARIN-PHZDYDNGSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O,,412.3705161559999,HCXVJBMSMIARIN,Terpenoids,Steroids,Cholestane steroids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,11.226009249687195 2030,12135,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5806241,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.82249641418457 2031,12135,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5806241,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.82249641418457 2032,12134,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5085011,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.53400444984436 2033,12133,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YVMAYTYEFBTXFR-UHFFFAOYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3",CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(OC(=O)C=Cc4ccc(O)c(O)c4)C(C)(C)C3CCC12C,C39H58O5,pos_2MMg,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2034,12133,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YVMAYTYEFBTXFR-MYGOKKNYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O5,pos_2MMg,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2035,12133,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YVMAYTYEFBTXFR-MYGOKKNYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O5,pos_2MMg,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2036,12133,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,CDIRJUWHWWLLQA-AWPSIURNSA-N,"InChI=1S/C39H58O5/c1-26(25-40)9-8-21-39(7,43)30-18-23-37(5)29(30)15-16-32-36(4)22-20-33(35(2,3)31(36)19-24-38(32,37)6)44-34(42)17-12-27-10-13-28(41)14-11-27/h9-14,17,29-33,40-41,43H,8,15-16,18-25H2,1-7H3/b17-12+,26-9+/t29-,30+,31-,32-,33+,36+,37-,38-,39+/m1/s1",C/C(=C\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@H]3CC[C@]12C)CO,C39H58O5,pos_2MMg,606.428424956,CDIRJUWHWWLLQA,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2037,12132,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_1proton,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,1,6.5 2038,12132,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_1proton,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,1,6.5 2039,12131,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.21736728,ISDB,JAGFWFBAWUKJLM-NDEPHWFRSA-N,"InChI=1S/C28H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)22-25(31)27-24(30)20-23(29)21-26(27)33-28/h20-21,29-30,32H,2-19,22H2,1H3/t28-/m0/s1",CCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1,C28H46O5,,462.334524572,JAGFWFBAWUKJLM,Polyketides,,,Antidesma membranaceum,3908189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Antidesmateae'],['Antidesma'],['Antidesma membranaceum'],4,0,4.869469106197357 2040,12131,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.21736728,ISDB,JAGFWFBAWUKJLM-NDEPHWFRSA-N,"InChI=1S/C28H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)22-25(31)27-24(30)20-23(29)21-26(27)33-28/h20-21,29-30,32H,2-19,22H2,1H3/t28-/m0/s1",CCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1,C28H46O5,,462.334524572,JAGFWFBAWUKJLM,Polyketides,,,Fallopia baldschuanica,362489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Fallopia'],['Fallopia baldschuanica'],4,0,4.869469106197357 2041,12131,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.21736728,ISDB,JAGFWFBAWUKJLM-NDEPHWFRSA-N,"InChI=1S/C28H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)22-25(31)27-24(30)20-23(29)21-26(27)33-28/h20-21,29-30,32H,2-19,22H2,1H3/t28-/m0/s1",CCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1,C28H46O5,,462.334524572,JAGFWFBAWUKJLM,Polyketides,,,Fallopia aubertii,258412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Fallopia'],['Fallopia aubertii'],4,0,4.869469106197357 2042,12130,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.46077135,ISDB,BCQDLHHHLROFBT-POUSAUBHSA-N,"InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)25-23(28)20-21-24(29)26(25)30/h6-7,24,29-30H,2-5,8-21H2,1H3/b7-6-/t24-/m0/s1",CCCCC/C=C\CCCCCCCCCCCCC(=O)C1=C(O)[C@@H](O)CCC1=O,C26H44O4,,420.32395988799993,BCQDLHHHLROFBT,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Peperomia humilis,3869108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia humilis'],4,0,5.843085408210754 2043,12130,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.46077135,ISDB,BCQDLHHHLROFBT-POUSAUBHSA-N,"InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)25-23(28)20-21-24(29)26(25)30/h6-7,24,29-30H,2-5,8-21H2,1H3/b7-6-/t24-/m0/s1",CCCCC/C=C\CCCCCCCCCCCCC(=O)C1=C(O)[C@@H](O)CCC1=O,C26H44O4,,420.32395988799993,BCQDLHHHLROFBT,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Peperomia leptostachya,600420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia leptostachya'],4,0,5.843085408210754 2044,12129,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40203592,ISDB,ZEFDQPPZEFOVSL-IGJPSDKNSA-N,"InChI=1S/C26H42O3/c1-16(27)18-10-14-25(6)19(18)8-9-21-24(5)13-12-22(29-17(2)28)23(3,4)20(24)11-15-26(21,25)7/h18-22H,8-15H2,1-7H3/t18-,19-,20-,21-,22+,24+,25-,26-/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H](C(C)=O)CC[C@]23C)C1(C)C,C26H42O3,,402.313395204,ZEFDQPPZEFOVSL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Ficus fistulosa,116272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus fistulosa'],4,3,7.10814368724823 2045,12129,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40203592,ISDB,ZEFDQPPZEFOVSL-ALVYHVGUSA-N,"InChI=1S/C26H42O3/c1-16(27)18-10-14-25(6)19(18)8-9-21-24(5)13-12-22(29-17(2)28)23(3,4)20(24)11-15-26(21,25)7/h18-22H,8-15H2,1-7H3/t18-,19-,20+,21-,22+,24+,25-,26-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H](C(C)=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C26H42O3,,402.313395204,ZEFDQPPZEFOVSL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Ficus pumila,734180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus pumila'],4,3,7.10814368724823 2046,12127,-1,,,,0.55819356,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,9.232774257659912 2047,12126,2856,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.49047706,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.461908221244812 2048,12126,2856,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.49047706,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.461908221244812 2049,12125,-1,,,,0.5471792,ISDB,LJGQDTOIMKCBDQ-ALOAWGQESA-N,"InChI=1S/C31H50O7/c1-16(2)31(37)14-19(38-25(31)36)17(3)18-9-10-27(5)20-7-8-21-28(6,24(34)35)22(32)13-23(33)30(21)15-29(20,30)12-11-26(18,27)4/h16-23,25,32-33,36-37H,7-15H2,1-6H3,(H,34,35)/t17-,18-,19-,20+,21+,22+,23+,25+,26-,27+,28+,29+,30-,31+/m1/s1",CC(C)[C@@]1(O)C[C@H]([C@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]56C[C@@]46CC[C@]23C)O[C@@H]1O,C31H50O7,,534.35565394,LJGQDTOIMKCBDQ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,0,6.188716888427734 2050,12121,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.46308258,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.352330327033997 2051,12121,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.46308258,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.352330327033997 2052,12120,-1,,,,0.0,MS1_match,OQSJKSVZJJTGQR-MKHPODSRSA-N,"InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1",C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12,C30H42O3,pos_1_1proton1ethylamine,450.313395204,OQSJKSVZJJTGQR,Terpenoids,Diterpenoids,Cembrane diterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,0,7.0 2053,12119,-1,,,,0.0,MS1_match,OQSJKSVZJJTGQR-MKHPODSRSA-N,"InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1",C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12,C30H42O3,pos_1_1sodium,450.313395204,OQSJKSVZJJTGQR,Terpenoids,Diterpenoids,Cembrane diterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,0,7.0 2054,12116,2680,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52690965,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.607638597488403 2055,12113,1,Terpenoids,Steroids,Monoalkylresorcinols,0.27199182,ISDB,WMRQHSFWMFGIFW-OUNSMTAHSA-N,"InChI=1S/C24H32O5/c1-9-7-13-17(21(26)11(3)20(13)25)16-12(9)8-14-18(16)19-22-10(2)15(28-23(19)27)5-6-24(14,4)29-22/h7,10-18,20-21,25-26H,5-6,8H2,1-4H3/t10-,11+,12+,13-,14-,15+,16+,17+,18-,20+,21-,24+/m0/s1",CC1=C[C@@H]2[C@H](O)[C@@H](C)[C@H](O)[C@H]2[C@@H]2[C@H]3C4=C5O[C@](C)(CC[C@@H](OC4=O)[C@@H]5C)[C@H]3C[C@H]12,C24H32O5,,400.224974124,WMRQHSFWMFGIFW,Terpenoids,,,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,1.5879672765731812 2056,12109,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,AJGIQTUFQSRBDM-UHFFFAOYSA-N,"InChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21-19-17-20/h16-19H,2-15H2,1H3",CCCCCCCCCCCCCCCc1ccncc1,C20H35N,pos_1_1proton1isopropanol,289.27695012,AJGIQTUFQSRBDM,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 2057,12107,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47178817,ISDB,SFDCJCLBKPVTLL-CGZIXDKBSA-N,"InChI=1S/C38H60O11/c1-33(2)13-15-38(32(45)47-8)16-14-35(4)20(21(38)17-33)9-10-24-34(3)18-22(40)29(49-30-28(43)27(42)26(41)23(19-39)48-30)37(6,31(44)46-7)25(34)11-12-36(24,35)5/h9,21-30,39-43H,10-19H2,1-8H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,34+,35+,36+,37-,38-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C38H60O11,,692.41356274,SFDCJCLBKPVTLL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],4,3,7.387152671813965 2058,12106,1425,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,0.77778065,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.611122608184814 2059,12104,1534,Fatty acids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.6060905,ISDB,GXLCJJYXZFAKQM-HPGBZROCSA-N,"InChI=1S/C28H52O4/c1-26(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-28(31)32-25-27(30)24-29/h7,9,15,17,26-27,29-30H,3-6,8,10-14,16,18-25H2,1-2H3/b9-7-,17-15-/t27-/m0/s1",CC(C)CCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)OC[C@@H](O)CO,C28H52O4,,452.38656014399993,GXLCJJYXZFAKQM,Fatty acids,Glycerolipids,Diacylglycerols,Stelletta,662723.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Stelletta'],['Unknown'],1,1,3.9243619441986084 2060,12103,2680,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5409579,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.66383171081543 2061,12102,2856,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.48354423,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.434176921844482 2062,12102,2856,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.48354423,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.434176921844482 2063,12101,2680,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5193836,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.577534437179565 2064,12099,1534,Fatty acids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.35199338,ISDB,,,,,,,TVXZONSWKFRFAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4079735279083252 2065,12097,-1,,,,0.5782708,ISDB,SINCDAOITNCHRQ-CEHVUTQISA-N,"InChI=1S/C36H60O10/c1-30(2)21-7-8-22-32(5)15-19(39)28(33(6)11-9-24(46-33)31(3,4)43)36(32,18-38)14-13-35(22)17-34(21,35)12-10-23(30)45-29-27(42)26(41)25(40)20(16-37)44-29/h19-29,37-43H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24+,25+,26-,27+,28+,29-,32-,33-,34+,35-,36-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23CO)O1,C36H60O10,,652.41864812,SINCDAOITNCHRQ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Beesia calthifolia,877310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Beesia'],['Beesia calthifolia'],4,0,6.313083171844482 2066,12096,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.35112536,ISDB,RXBLJXFGQJJUDL-HPYAPKKGSA-N,"InChI=1S/C32H52O6/c1-19(33)36-23-11-12-27(6)21(25(23,2)3)10-13-28(7)22(27)18-20(34)24-29(28,8)14-16-31(24)30(9)15-17-32(37-30,38-31)26(4,5)35/h20-24,34-35H,10-18H2,1-9H3/t20-,21+,22-,23-,24+,27+,28-,29-,30+,31-,32-/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@H]4[C@@](C)(CC[C@@]45O[C@@]4(C(C)(C)O)CC[C@]5(C)O4)[C@]3(C)CC[C@H]2C1(C)C,C32H52O6,,532.376389384,RXBLJXFGQJJUDL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cleome africana,848416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome africana'],4,3,6.904501438140869 2067,12096,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.35112536,ISDB,RXBLJXFGQJJUDL-HPYAPKKGSA-N,"InChI=1S/C32H52O6/c1-19(33)36-23-11-12-27(6)21(25(23,2)3)10-13-28(7)22(27)18-20(34)24-29(28,8)14-16-31(24)30(9)15-17-32(37-30,38-31)26(4,5)35/h20-24,34-35H,10-18H2,1-9H3/t20-,21+,22-,23-,24+,27+,28-,29-,30+,31-,32-/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@H]4[C@@](C)(CC[C@@]45O[C@@]4(C(C)(C)O)CC[C@]5(C)O4)[C@]3(C)CC[C@H]2C1(C)C,C32H52O6,,532.376389384,RXBLJXFGQJJUDL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cleome amblyocarpa,517004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome amblyocarpa'],4,3,6.904501438140869 2068,12095,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5540346,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,3,10.716138362884521 2069,12095,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5540346,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,3,10.716138362884521 2070,12094,347,Terpenoids,Triterpenoids,Cholestane steroids,0.44722995,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,2,9.788919806480408 2071,12094,347,Terpenoids,Triterpenoids,Cholestane steroids,0.44722995,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,2,9.788919806480408 2072,12094,347,Terpenoids,Triterpenoids,Cholestane steroids,0.44722995,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,9.788919806480408 2073,12094,347,Terpenoids,Triterpenoids,Cholestane steroids,0.44722995,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,2,9.788919806480408 2074,12094,347,Terpenoids,Triterpenoids,Cholestane steroids,0.44722995,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,9.788919806480408 2075,12090,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5116056,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.546422481536865 2076,12089,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.31671518,ISDB,ZDWLHNHYDOEVLT-DYLMUVFLSA-N,"InChI=1S/C39H54O4/c1-24-16-21-39(34(42)43)23-22-37(6)29(33(39)25(24)2)13-15-32-36(5)19-17-28(35(3,4)31(36)18-20-38(32,37)7)30(41)14-10-26-8-11-27(40)12-9-26/h8-14,24-25,28,31-33,40H,15-23H2,1-7H3,(H,42,43)/b14-10-/t24-,25+,28-,31+,32-,33-,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](C(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O4,,586.402210208,ZDWLHNHYDOEVLT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Mimusops elengi,81554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sapotaceae'],['Unknown'],['Mimusops'],['Mimusops elengi'],3,3,5.766860723495483 2077,12088,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.32622275,ISDB,KXNIVDALPZHIQT-IITNFBKUSA-N,"InChI=1S/C34H56O8/c1-21-11-12-27-33(19-20-34(37,42-33)29(6,7)41-27)31(21,9)17-13-24-30(8)16-14-25(38-22(2)35)28(4,5)40-26(30)15-18-32(24,10)39-23(3)36/h21,24-27,37H,11-20H2,1-10H3/t21-,24+,25+,26-,27-,30-,31-,32+,33+,34-/m0/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@](C)(OC(C)=O)[C@@H]2CC[C@@]2(C)[C@@H](C)CC[C@@H]3OC(C)(C)[C@]4(O)CC[C@@]32O4)OC1(C)C,C34H56O8,,592.3975187519999,KXNIVDALPZHIQT,Terpenoids,Triterpenoids,,Raspaciona aculeata,303942.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Raspailiidae'],['Unknown'],['Raspaciona'],['Raspaciona aculeata'],1,2,3.304890990257263 2078,12087,-1,,,,0.0,MS1_match,XYLPDPPGAMCDQW-FZDNWWAKSA-N,"InChI=1S/C15H22O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,14,16H,5,7,9H2,1-4H3/b13-11-/t14-/m0/s1",CC(C)=CCC/C(C)=C1/C[C@H](O)C(C)=CC1=O,C15H22O2,pos_2MNa,234.161979944,XYLPDPPGAMCDQW,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 2079,12087,-1,,,,0.0,MS1_match,OCULPYOOSGFLRB-DZGCQCFKSA-N,"InChI=1S/C15H22O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,13,15,17H,3,5,7,9H2,1-2,4H3/t13-,15+/m0/s1",C=C(CCC=C(C)C)[C@@H]1CC(=O)C(C)=C[C@H]1O,C15H22O2,pos_2MNa,234.161979944,OCULPYOOSGFLRB,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 2080,12078,62,Terpenoids,Triterpenoids,Lipopeptides,0.57825154,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,2,7.313006162643433 2081,12077,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4640142,ISDB,TWSDPYIVNRLSIQ-ANRMJACDSA-N,"InChI=1S/C38H58O10/c1-33(2)13-15-38(32(44)46-8)16-14-36(5)21(22(38)18-33)9-10-27-34(3)19-24(41)29(35(4,20-39)26(34)11-12-37(27,36)6)48-31-28(42)23(40)17-25(47-31)30(43)45-7/h9,17,22-24,26-29,31,39-42H,10-16,18-20H2,1-8H3/t22-,23-,24-,26+,27+,28+,29-,31-,34-,35-,36+,37+,38-/m0/s1",COC(=O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](O)C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@]34C)[C@]2(C)CO)O1,C38H58O10,,674.402998056,TWSDPYIVNRLSIQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],4,3,7.356056809425354 2082,12076,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.37964404,ISDB,SFSFDBPTPLSWRM-KXNUYETHSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,SFSFDBPTPLSWRM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,9.51857614517212 2083,12075,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.470867,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.38346803188324 2084,12072,909,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48238993,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.429559707641602 2085,12072,909,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48238993,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.429559707641602 2086,12072,909,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48238993,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.429559707641602 2087,12072,909,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48238993,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.429559707641602 2088,12071,-1,,,,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_minus1proton1iron,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 2089,12071,-1,,,,0.0,MS1_match,IXVMHGVQKLDRKH-UHFFFAOYSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,C28H48O6,pos_1_minus1proton1iron,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 2090,12071,-1,,,,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_minus1proton1iron,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 2091,12071,-1,,,,0.0,MS1_match,IXVMHGVQKLDRKH-UHFFFAOYSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3",CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,C28H48O6,pos_1_minus1proton1iron,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 2092,12069,57,Terpenoids,Steroids,Cardenolides,0.6458352,ISDB,WGOHWIVFCMYBJP-WNLBOENISA-N,"InChI=1S/C35H56O12/c1-16(36)21-10-13-35-33(21,5)30(40)26(39)29-32(4)11-9-20(14-19(32)8-12-34(29,35)47-35)45-23-15-22(41-6)27(18(3)43-23)46-31-25(38)28(42-7)24(37)17(2)44-31/h17-31,37-40H,8-15H2,1-7H3/t17-,18-,19+,20+,21-,22+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,35-/m1/s1",CO[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]56O[C@@]57CC[C@H](C(C)=O)[C@@]7(C)[C@H](O)[C@@H](O)[C@H]46)C3)O[C@@H]2C)O[C@H](C)[C@H]1O,C35H56O12,,668.377177232,WGOHWIVFCMYBJP,Terpenoids,Steroids,Pregnane steroids,Marsdenia tenacissima,872597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Marsdenia'],['Marsdenia tenacissima'],4,2,7.583340883255005 2093,12068,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.46524206,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.360968232154846 2094,12068,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.46524206,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.360968232154846 2095,12067,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47173882,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.386955261230469 2096,12065,-1,,,,0.3476775,ISDB,PFMWLSLCVYOPSJ-SGUCCDCUSA-N,"InChI=1S/C40H66N4O9/c1-13-26(6)35(43(10)38(47)33(24(2)3)41-37(46)34(25(4)5)42(8)9)30(51-11)23-32(45)44-21-17-20-29(44)36(52-12)27(7)40(50)53-31(39(48)49)22-28-18-15-14-16-19-28/h14-16,18-19,24-27,29-31,33-36H,13,17,20-23H2,1-12H3,(H,41,46)(H,48,49)/t26-,27+,29-,30+,31-,33-,34-,35-,36+/m0/s1",CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)O[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C,C40H66N4O9,,746.4829796920001,PFMWLSLCVYOPSJ,Amino acids and Peptides,Oligopeptides,Linear peptides,Symploca,875816.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Symploca'],['Unknown'],0,0,1.3907099962234497 2097,12064,-1,,,,0.537396,ISDB,XUOFYJKRVBHVBO-JYRBIGNMSA-N,"InChI=1S/C32H46O5/c1-18-8-13-31-15-14-30(7)29(6)12-9-19-27(4,11-10-21-28(19,5)17-34-26(2,3)36-21)23(29)22-24(35-22)32(30,20(31)16-18)37-25(31)33/h19-24H,1,8-17H2,2-7H3/t19-,20-,21+,22+,23-,24+,27+,28+,29-,30+,31+,32-/m1/s1",C=C1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@@H]3OC(C)(C)OC[C@@]3(C)[C@@H]2CC[C@]14C,C32H46O5,,510.334524572,XUOFYJKRVBHVBO,Terpenoids,,,Paeonia anomala,985348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia anomala'],4,0,6.149584054946899 2098,12064,-1,,,,0.537396,ISDB,XUOFYJKRVBHVBO-JYRBIGNMSA-N,"InChI=1S/C32H46O5/c1-18-8-13-31-15-14-30(7)29(6)12-9-19-27(4,11-10-21-28(19,5)17-34-26(2,3)36-21)23(29)22-24(35-22)32(30,20(31)16-18)37-25(31)33/h19-24H,1,8-17H2,2-7H3/t19-,20-,21+,22+,23-,24+,27+,28+,29-,30+,31+,32-/m1/s1",C=C1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@@H]3OC(C)(C)OC[C@@]3(C)[C@@H]2CC[C@]14C,C32H46O5,,510.334524572,XUOFYJKRVBHVBO,Terpenoids,,,Paeonia veitchii,633846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia veitchii'],4,0,6.149584054946899 2099,12059,-1,,,,0.26718295,ISDB,UMLDOSNQGZWGBQ-AHQCWXFASA-N,"InChI=1S/C30H42O4/c1-7-22(2)9-15-26-29(4)19-8-18-28(3,25(29)17-20-30(26,5)32)21-34-27(31)16-12-23-10-13-24(33-6)14-11-23/h7,10-14,16,25-26,32H,1-2,8-9,15,17-21H2,3-6H3/b16-12+/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O,C30H42O4,,466.30830982399993,UMLDOSNQGZWGBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,8.068731784820557 2100,12058,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.31264102,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,3.7505640983581543 2101,12058,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.31264102,ISDB,IESVDEZGAHUQJU-PYFUMDFMSA-N,"InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8+,16-14+,21-20+,24-23+,29-27+,35-33+/t44-/m1/s1",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C46H80NO8P,,805.56215515,IESVDEZGAHUQJU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,3.7505640983581543 2102,12057,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.6079239,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,4.9316956996917725 2103,12057,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.6079239,ISDB,HAIPHKFLSXSDAN-BLOCXYQCSA-N,"InChI=1S/C44H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,31,33,42H,6-7,9,11-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H76NO8P,,777.530855022,HAIPHKFLSXSDAN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,4.9316956996917725 2104,12055,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38025197,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.021007895469666 2105,12054,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51829153,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.573166131973267 2106,12054,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51829153,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.573166131973267 2107,12051,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.68144786,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,11.225791454315186 2108,12051,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.68144786,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,3,11.225791454315186 2109,12050,574,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.27153933,ISDB,JKMGDISLOMKFOX-HZYGIUPKSA-N,"InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H54O3,,582.407295588,JKMGDISLOMKFOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Fritschiella tuberosa,337374.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Chlorophyceae'],['Tetrasporales'],['Unknown'],['Unknown'],['Fritschiella'],['Fritschiella tuberosa'],2,3,4.586157321929932 2110,12042,-1,,,,0.7383528,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.953411102294922 2111,12036,1242,Terpenoids,Steroids,Stigmastane steroids,0.39728656,ISDB,RUVUHIUYGJBLGI-UHFFFAOYSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3",CCC(CCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C,C29H48O,,412.370516156,RUVUHIUYGJBLGI,Terpenoids,Steroids,Stigmastane steroids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.089146256446838 2112,12036,1242,Terpenoids,Steroids,Stigmastane steroids,0.39728656,ISDB,RUVUHIUYGJBLGI-XJZKHKOHSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O,,412.370516156,RUVUHIUYGJBLGI,Terpenoids,Steroids,Stigmastane steroids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.089146256446838 2113,12035,-1,,,,0.60188144,ISDB,DDCXFQXXQUYLQV-LFDWGOBLSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,19,22-27H,4,7-8,10-12,14-17H2,1-3,5-6H3/t19-,22+,23-,24+,25-,26-,27+,29+,30-/m0/s1",C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12,C30H44O2,,436.334130648,DDCXFQXXQUYLQV,Terpenoids,,,Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,6.4075257778167725 2114,12033,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5178301,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.571320295333862 2115,12032,935,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4998761,ISDB,,,,,,,DBZBOLZBBYYGSZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9995044469833374 2116,12027,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6026602,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.410640716552734 2117,12025,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.37531382,ISDB,SMIXWDJGSDWLEP-ZQOVHGAMSA-N,"InChI=1S/C40H62O12/c1-21(2)15-25(44)16-24(19-49-22(3)42)26-11-14-39(7)27-9-10-30-37(5,28(27)17-32(40(26,39)8)51-23(4)43)13-12-31(45)38(30,6)20-50-36-35(48)34(47)33(46)29(18-41)52-36/h9,15,24-26,28-30,32-36,41,44,46-48H,10-14,16-20H2,1-8H3/t24-,25+,26+,28+,29-,30-,32-,33-,34+,35-,36-,37-,38-,39-,40-/m1/s1",CC(=O)OC[C@@H](C[C@@H](O)C=C(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@](C)(CCC(=O)[C@]4(C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3C[C@@H](OC(C)=O)[C@@]12C,C40H62O12,,734.424127424,SMIXWDJGSDWLEP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Trichilia prieuriana,512080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia prieureana'],4,2,6.50125527381897 2118,12023,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6714009,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.685603618621826 2119,12017,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.52813697,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.612547874450684 2120,12015,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 2121,12010,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4200474,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,9.180189609527588 2122,12010,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4200474,ISDB,AYDJDNNMKHXZOQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C(=O)O)C1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.180189609527588 2123,12007,645,Terpenoids,Steroids,Ergostane steroids,0.46419293,ISDB,FSAWPTNNGNWEDC-FZBYAEGTSA-N,"InChI=1S/C33H54O10/c1-15-14-40-33(29(39)28(15)42-30-27(38)26(37)25(36)23(13-34)41-30)16(2)24-22(43-33)12-21-19-6-5-17-11-18(35)7-9-31(17,3)20(19)8-10-32(21,24)4/h15-30,34-39H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31-,32-,33-/m0/s1",C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C33H54O10,,610.371697928,FSAWPTNNGNWEDC,Terpenoids,Steroids,Spirostane steroids,Agave americana,447325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Agave'],['Agave americana'],4,2,6.85677170753479 2124,12002,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37770936,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,3,9.010837435722351 2125,12002,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37770936,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,3,9.010837435722351 2126,12002,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37770936,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.010837435722351 2127,12002,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37770936,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.010837435722351 2128,12002,1370,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37770936,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,3,9.010837435722351 2129,12000,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31833982,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.773359298706055 2130,12000,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31833982,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.773359298706055 2131,11998,-1,,,,0.30551082,ISDB,,,,,,,XJXVNHNNBNYTRY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2220432758331299 2132,11997,-1,,,,0.27971768,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.118870735168457 2133,11996,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7317137,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9268548488616943 2134,11993,591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7583919,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.533567667007446 2135,11991,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.35263768,ISDB,RIXNFYQZWDGQAE-DFHVBEEKSA-N,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O4,,498.37091008,RIXNFYQZWDGQAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,10.410550713539124 2136,11990,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.657067,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,3,9.128268003463745 2137,11990,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.657067,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,9.128268003463745 2138,11990,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.657067,ISDB,GPFVBJYXFRIOFB-HNBVOPMISA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,9.128268003463745 2139,11987,2063,Terpenoids,Triterpenoids,Serratane triterpenoids,0.2647976,ISDB,LTKNTEIFGILKMN-WFHLZTHJSA-N,"InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h18,20-23H,8-17H2,1-7H3/t20-,21-,22-,23-,28-,29+,30-/m0/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@H]4C(=C[C@]3(C)CC[C@@H]12)CC[C@H]1C(C)(C)C(=O)CC[C@]41C,C30H46O2,,438.349780712,LTKNTEIFGILKMN,Terpenoids,Triterpenoids,Serratane triterpenoids,Myrica gale,79360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica gale'],5,3,7.559190392494202 2140,11986,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6075498,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.930199146270752 2141,11984,-1,,,,0.8285493,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.314197301864624 2142,11977,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-YDZYAZLNSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_1proton2acetonitrile,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,2,7.0 2143,11977,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-WCBDFPTQSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_1proton2acetonitrile,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,2,7.0 2144,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,0,6.0 2145,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,0,6.0 2146,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 2147,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 2148,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 2149,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 2150,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 2151,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 2152,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,KBPHJBAIARWVSC-RGZFRNHPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_2_2proton,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 2153,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,KBPHJBAIARWVSC-RGZFRNHPSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H56O2,pos_2_2proton,568.4280310319999,KBPHJBAIARWVSC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 2154,11976,363,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,JKQXZKUSFCKOGQ-QAYBQHTQSA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H56O2,pos_2_2proton,568.428031032,JKQXZKUSFCKOGQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 2155,11975,863,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.50696313,ISDB,GCRXQWHNYFZSCQ-GTFZWYKXSA-N,"InChI=1S/C33H50O5/c1-20(34)38-24-13-14-30(6)22(29(24,4)5)12-15-32(8)23(30)11-10-21-25-26(35)28(2,3)16-18-33(25,27(36)37-9)19-17-31(21,32)7/h22-24H,10-19H2,1-9H3/t22-,23+,24-,30-,31+,32+,33+/m0/s1",COC(=O)[C@@]12CCC(C)(C)C(=O)C1=C1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H50O5,,526.3658247,GCRXQWHNYFZSCQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Gardenia latifolia,3877771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia latifolia'],4,3,7.527852535247803 2156,11972,136,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.0,MS1_match,PWYIITFCWUJCMR-DDZXFPHNSA-N,"InChI=1S/C21H32O4/c1-14(12-20(23)24)7-9-18-15(2)8-10-19-17(13-25-16(3)22)6-5-11-21(18,19)4/h12,17-19H,2,5-11,13H2,1,3-4H3,(H,23,24)/b14-12+/t17-,18+,19+,21-/m1/s1",C=C1CC[C@H]2[C@@H](COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C21H32O4,pos_2MHCH3CN,348.23005950399994,PWYIITFCWUJCMR,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 2157,11968,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,QYGPFTLXAZGSEF-JXLDSLNTSA-N,"InChI=1S/C30H52O5/c1-24(2)19-9-13-27(6)20(26(19,5)12-10-21(24)32)17-18(31)23-28(27,7)15-16-30(23,34)29(8)14-11-22(35-29)25(3,4)33/h18-23,31-34H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,26+,27-,28-,29-,30-/m1/s1",CC(C)(O)[C@H]1CC[C@](C)([C@@]2(O)CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O5,pos_1_1proton1acetonitrile,492.381474764,QYGPFTLXAZGSEF,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2158,11968,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,GTRLKOLLAMWWRB-XQWKPYBISA-N,"InChI=1S/C30H52O5/c1-18(2)19(31)9-14-29(8,34)30(35)16-15-28(7)24(30)20(32)17-22-26(5)12-11-23(33)25(3,4)21(26)10-13-27(22,28)6/h19-24,31-35H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23-,24-,26+,27-,28-,29+,30-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O5,pos_1_1proton1acetonitrile,492.381474764,GTRLKOLLAMWWRB,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2159,11968,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,XLMGQIWAQRLJOD-DMDPLUFTSA-N,"InChI=1S/C30H52O5/c1-24(2,33)12-9-13-29(8,34)30(35)17-16-28(7)23(30)19(31)18-21-26(5)14-11-22(32)25(3,4)20(26)10-15-27(21,28)6/h9,12,19-23,31-35H,10-11,13-18H2,1-8H3/b12-9+/t19-,20+,21+,22+,23-,26+,27-,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O5,pos_1_1proton1acetonitrile,492.381474764,XLMGQIWAQRLJOD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2160,11964,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2161,11963,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2162,11963,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2163,11963,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2164,11962,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.48723122,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.448924899101257 2165,11959,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4996545,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.498618006706238 2166,11956,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39239663,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.069586515426636 2167,11953,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6864504,ISDB,RXWXPKXKJZHTEJ-WBWKNCLJSA-N,"InChI=1S/C36H58O11/c1-31(2)9-11-36(30(44)45)12-10-34(5)18(19(36)13-31)7-8-23-32(3)14-21(40)28(33(4,17-38)27(32)20(39)15-35(23,34)6)47-29-26(43)25(42)24(41)22(16-37)46-29/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)/t19-,20+,21-,22+,23+,24+,25-,26+,27+,28-,29-,32+,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1,C36H58O11,,666.397912676,RXWXPKXKJZHTEJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Madhuca longifolia,1074317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sapotaceae'],['Unknown'],['Madhuca'],['Madhuca longifolia'],4,3,8.2458016872406 2168,11952,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4202542,ISDB,WDPGVNDSNNDCOT-CRIWHUKNSA-N,"InChI=1S/C36H56O10/c1-31(2)11-13-36(30(44)46-29-28(43)27(42)26(41)21(17-37)45-29)14-12-33(4)19(20(36)16-31)7-8-23-34(33,5)10-9-22-32(3,18-38)24(39)15-25(40)35(22,23)6/h7,20-24,26-29,37-39,41-43H,8-18H2,1-6H3/t20-,21+,22-,23-,24-,26+,27-,28+,29-,32-,33+,34+,35-,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,,648.3873479919998,WDPGVNDSNNDCOT,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,3,8.18101680278778 2169,11946,-1,,,,0.0,MS1_match,RUVINXPYWBROJD-ONEGZZNKSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",C/C=C/c1ccc(OC)cc1,C10H12O,pos_2MH,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 2170,11945,2946,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.51909065,ISDB,KQNYBDACXLEBLR-ALCCZGGFSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)/b7-5-",CCCC/C=C\c1cccc(C(=O)O)c1,C13H16O2,,204.115029752,KQNYBDACXLEBLR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],3,3,6.576362609863281 2171,11945,2946,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.51909065,ISDB,KQNYBDACXLEBLR-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)",CCCCC=Cc1cccc(C(=O)O)c1,C13H16O2,,204.115029752,KQNYBDACXLEBLR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nepeta cataria,830200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta cataria'],3,3,6.576362609863281 2172,11944,1245,,,,0.48481956,ISDB,,,,,,,MBBWNSHWJZSJLF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.939278244972229 2173,11943,441,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.32889748,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Enterococcus faecium,594429.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Enterococcaceae'],['Unknown'],['Enterococcus'],['Enterococcus faecium'],0,3,2.8155899047851562 2174,11943,441,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.32889748,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Staphylococcus aureus,1090496.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Staphylococcaceae'],['Unknown'],['Staphylococcus'],['Staphylococcus aureus'],0,3,2.8155899047851562 2175,11939,-1,,,,0.6945691,ISDB,KQGAIGDLVVMDTI-IUKJWAPLSA-N,"InChI=1S/C26H32O5/c1-13(2)12-18(27)23-16(5)17-11-10-15(4)20(17)25(31-23)22-24(29-6)21-14(3)8-7-9-19(21)30-26(22)28/h7-9,13,15,17,20,25H,10-12H2,1-6H3/t15-,17+,20+,25-/m0/s1",COc1c([C@H]2OC(C(=O)CC(C)C)=C(C)[C@H]3CC[C@H](C)[C@H]32)c(=O)oc2cccc(C)c12,C26H32O5,,424.224974124,KQGAIGDLVVMDTI,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lycoseris triplinervia,5784634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Onoserideae'],['Lycoseris'],['Lycoseris triplinervia'],3,0,5.778276443481445 2176,11938,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.21088457,ISDB,,,,,,,OLGFAMKATXZMBU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8435382843017578 2177,11937,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.37513337,ISDB,LANJPWZPYVPLQZ-SEPQECTCSA-N,"InChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20-,23-,24+,25-,26-,27+,29+,31+,32+/m0/s1",CC(=O)O[C@H]1C(NC(=O)c2ccccc2)=CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]12,C32H46N2O3,,506.350843332,LANJPWZPYVPLQZ,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],4,1,6.00053346157074 2178,11936,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5120766,ISDB,ZIZQHLXOPLXRBJ-AGBLWHONSA-N,"InChI=1S/C30H48O5/c1-16(2)17(3)8-9-18(4)27-25(35-19(5)31)14-22-26-23(33)13-20-12-21(32)10-11-29(20,6)28(26)24(34)15-30(22,27)7/h8-9,13,16-18,21-28,32-34H,10-12,14-15H2,1-7H3/b9-8+/t17-,18+,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O,C30H48O5,,488.350174636,ZIZQHLXOPLXRBJ,Terpenoids,Steroids,Cholestane steroids,Penicillium granulatum,494173.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium granulatum'],1,1,3.548306465148926 2179,11935,347,Terpenoids,Triterpenoids,Cholestane steroids,0.5161203,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,7.564481258392334 2180,11934,-1,,,,0.45894358,ISDB,DBCAVZSSFGIHQZ-YLAYQGCQSA-N,"InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1",CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,DBCAVZSSFGIHQZ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],7,0,8.835774302482605 2181,11930,838,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6243976,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.99759030342102 2182,11929,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.75241435,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix occidentalis,994602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix occidentalis'],6,3,10.509657382965088 2183,11929,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.75241435,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix laricina,804263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix laricina'],6,3,10.509657382965088 2184,11929,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.75241435,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix lyallii,693237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix lyallii'],6,3,10.509657382965088 2185,11928,-1,,,,0.28800392,ISDB,RIHYZKAATDJNMK-LDPPHYEASA-N,"InChI=1S/C39H52O5/c1-24-14-20-38-23-22-37(7)36(6)19-15-28-34(3,4)30(43-31(41)13-10-26-8-11-27(40)12-9-26)17-18-35(28,5)29(36)16-21-39(37,44-33(38)42)32(38)25(24)2/h8-13,16,21,24-25,28-30,32,40H,14-15,17-20,22-23H2,1-7H3/b13-10+/t24-,25+,28+,29-,30+,32-,35+,36-,37+,38+,39+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](OC(=O)/C=C/c7ccc(O)cc7)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C39H52O5,,600.381474764,RIHYZKAATDJNMK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus tereticornis,173799.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus tereticornis'],3,0,4.152015686035156 2186,11922,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.26599446,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.063977837562561 2187,11921,829,Shikimates and Phenylpropanoids,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.45228833,ISDB,LFFGARMIFWEHDF-UHFFFAOYSA-N,"InChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3",CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O,C30H38O4,,462.277009696,LFFGARMIFWEHDF,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Helichrysum tenuiculum,7601435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum tenuiculum'],3,3,6.309153318405151 2188,11921,829,Shikimates and Phenylpropanoids,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.45228833,ISDB,LFFGARMIFWEHDF-UHFFFAOYSA-N,"InChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3",CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O,C30H38O4,,462.277009696,LFFGARMIFWEHDF,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Helichrysum polycladum,5784792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum polycladum'],3,3,6.309153318405151 2189,11921,829,Shikimates and Phenylpropanoids,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.45228833,ISDB,LFFGARMIFWEHDF-UHFFFAOYSA-N,"InChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3",CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O,C30H38O4,,462.277009696,LFFGARMIFWEHDF,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Helichrysum tenuifolium,7601436.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum tenuifolium'],3,3,6.309153318405151 2190,11918,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.40790612,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,6.131624460220337 2191,11915,-1,,,,0.0,MS1_match,YXSQSVWHKZZWDD-IWSVBZIKSA-N,"InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,31-,32-,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H56O12,pos_1_minus1proton2sodium,680.377177232,YXSQSVWHKZZWDD,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,0,8.0 2192,11914,57,Terpenoids,Steroids,Cardenolides,0.47519708,ISDB,FXBQKTYYCYWENA-SHBGWMHBSA-N,"InChI=1S/C37H56O13/c1-17-22(19-12-26(39)46-16-19)9-11-37(44)23-7-6-20-13-21(8-10-35(20,3)24(23)14-36(17,37)4)48-34-30(43)32(45-5)31(18(2)47-34)50-33-29(42)28(41)27(40)25(15-38)49-33/h12,18,20-25,27-34,38,40-44H,1,6-11,13-16H2,2-5H3/t18-,20+,21-,22-,23+,24-,25+,27+,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-/m0/s1",C=C1[C@@H](C2=CC(=O)OC2)CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](OC)[C@@H]5O)CC[C@]4(C)[C@H]3C[C@]12C,C37H56O13,,708.372091852,FXBQKTYYCYWENA,Terpenoids,Steroids,Cardenolides,Thevetia ahouai,536674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Thevetia'],['Thevetia ahouai'],4,3,7.400788307189941 2193,11914,57,Terpenoids,Steroids,Cardenolides,0.47519708,ISDB,FXBQKTYYCYWENA-SHBGWMHBSA-N,"InChI=1S/C37H56O13/c1-17-22(19-12-26(39)46-16-19)9-11-37(44)23-7-6-20-13-21(8-10-35(20,3)24(23)14-36(17,37)4)48-34-30(43)32(45-5)31(18(2)47-34)50-33-29(42)28(41)27(40)25(15-38)49-33/h12,18,20-25,27-34,38,40-44H,1,6-11,13-16H2,2-5H3/t18-,20+,21-,22-,23+,24-,25+,27+,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-/m0/s1",C=C1[C@@H](C2=CC(=O)OC2)CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](OC)[C@@H]5O)CC[C@]4(C)[C@H]3C[C@]12C,C37H56O13,,708.372091852,FXBQKTYYCYWENA,Terpenoids,Steroids,Cardenolides,Thevetia peruviana,851162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Thevetia'],['Thevetia peruviana'],4,3,7.400788307189941 2194,11912,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42717737,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.208709478378296 2195,11910,-1,,,,0.0,MS1_match,FYODXPUPZMUKOK-DHXCXNBESA-N,"InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O7,pos_1_1proton1ethylamine,588.402604132,FYODXPUPZMUKOK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 2196,11905,3475,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5366174,ISDB,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.646469593048096 2197,11904,-1,,,,0.6243159,ISDB,IVGYNKMUKVTWBT-ZNABNZNXSA-N,"InChI=1S/C30H48/c1-20(2)21-11-13-28(6)22(21)12-14-30(8)25(28)10-9-23-24-19-26(3,4)15-16-27(24,5)17-18-29(23,30)7/h9,12,20-21,24-25H,10-11,13-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C,C30H48,,408.375601536,IVGYNKMUKVTWBT,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,0,6.497263669967651 2198,11903,-1,,,,0.0,MS1_match,FYODXPUPZMUKOK-DHXCXNBESA-N,"InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O7,pos_2MHNH3,588.402604132,FYODXPUPZMUKOK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 2199,11902,-1,,,,0.0,MS1_match,FYODXPUPZMUKOK-DHXCXNBESA-N,"InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O7,pos_1_1proton1ammonium,588.402604132,FYODXPUPZMUKOK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 2200,11901,490,Terpenoids,Triterpenoids,Lupane triterpenoids,0.25996006,ISDB,OFENEEUMCBVFDF-JMWSKRQESA-N,"InChI=1S/C35H54O6/c1-20-13-16-35(30(38)39-10)18-17-33(8)24(28(35)21(20)2)11-12-27-32(7)19-25(40-22(3)36)29(41-23(4)37)31(5,6)26(32)14-15-34(27,33)9/h11,20-21,25-29H,12-19H2,1-10H3/t20-,21+,25-,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C35H54O6,,570.392039448,OFENEEUMCBVFDF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Hedyotis lawsoniae,85711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Hedyotis'],['Hedyotis lawsoniae'],4,2,6.039840221405029 2201,11900,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.666054,ISDB,VWEPILNMGZRUTF-QYMODMSQSA-N,"InChI=1S/C33H52O5/c1-27(2)13-15-33(26(35)36)16-14-31(7)20(21(33)17-27)9-10-24-29(5)18-22(34)25-30(6,19-37-28(3,4)38-25)23(29)11-12-32(24,31)8/h9,21-25,34H,10-19H2,1-8H3,(H,35,36)/t21-,22+,23+,24+,25-,29-,30-,31+,32+,33-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H]6OC(C)(C)OC[C@@]6(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C33H52O5,,528.381474764,VWEPILNMGZRUTF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Stachyurus himalaicus,1015897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Stachyuraceae'],['Unknown'],['Stachyurus'],['Stachyurus himalaicus'],4,2,7.664216041564941 2202,11899,490,Terpenoids,Triterpenoids,Lupane triterpenoids,0.60756475,ISDB,PBMPADBLIVUKNI-GTJKSHLTSA-N,"InChI=1S/C33H50O4/c1-19-12-15-33-17-16-30(7)20(24(33)32(19,9)37-26(33)34)10-11-23-29(6)18-21-25(36-28(4,5)35-21)27(2,3)22(29)13-14-31(23,30)8/h19,21-23,25H,10-18H2,1-9H3/t19-,21+,22+,23-,25+,29+,30-,31-,32+,33+/m1/s1",C[C@@H]1CC[C@]23CC[C@]4(C)C(=C2[C@@]1(C)OC3=O)CC[C@@H]1[C@@]2(C)C[C@@H]3OC(C)(C)O[C@@H]3C(C)(C)[C@@H]2CC[C@]14C,C33H50O4,,510.37091008,PBMPADBLIVUKNI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],4,2,7.4302589893341064 2203,11899,490,Terpenoids,Triterpenoids,Lupane triterpenoids,0.60756475,ISDB,PBMPADBLIVUKNI-GTJKSHLTSA-N,"InChI=1S/C33H50O4/c1-19-12-15-33-17-16-30(7)20(24(33)32(19,9)37-26(33)34)10-11-23-29(6)18-21-25(36-28(4,5)35-21)27(2,3)22(29)13-14-31(23,30)8/h19,21-23,25H,10-18H2,1-9H3/t19-,21+,22+,23-,25+,29+,30-,31-,32+,33+/m1/s1",C[C@@H]1CC[C@]23CC[C@]4(C)C(=C2[C@@]1(C)OC3=O)CC[C@@H]1[C@@]2(C)C[C@@H]3OC(C)(C)O[C@@H]3C(C)(C)[C@@H]2CC[C@]14C,C33H50O4,,510.37091008,PBMPADBLIVUKNI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],4,2,7.4302589893341064 2204,11898,222,,,,0.28534123,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],4,0,5.141364932060242 2205,11897,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8182296,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.272918462753296 2206,11897,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8182296,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.272918462753296 2207,11896,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.81157136,ISDB,MDAXYSXRAMOWLY-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h7-8H,3-6H2,1-2H3",Cc1cc(C)c2c(c1)CCCC2,C12H16,,160.125200512,MDAXYSXRAMOWLY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.746285438537598 2208,11893,2177,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51582575,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus macrolepis,216741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus macrolepis'],5,1,7.563302993774414 2209,11893,2177,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51582575,ISDB,RLSVGFPVFKWRKH-YHGBQTNRSA-N,"InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1,C30H42O2,,434.318480584,RLSVGFPVFKWRKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,1,7.563302993774414 2210,11892,374,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,0.76352656,ISDB,CFEBVBFXLFAFIO-POQQGIQPSA-N,"InChI=1S/C14H22/c1-10-3-4-13-12(10)9-11-5-7-14(13,2)8-6-11/h5,7,10-13H,3-4,6,8-9H2,1-2H3/t10-,11-,12-,13+,14+/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1C[C@@H]1C=C[C@@]2(C)CC1,C14H22,,190.172150704,CFEBVBFXLFAFIO,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,3,8.55410623550415 2211,11891,-1,,,,0.4843411,ISDB,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,9.93736445903778 2212,11890,1794,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,0.6294513,ISDB,IVGYNKMUKVTWBT-ZNABNZNXSA-N,"InChI=1S/C30H48/c1-20(2)21-11-13-28(6)22(21)12-14-30(8)25(28)10-9-23-24-19-26(3,4)15-16-27(24,5)17-18-29(23,30)7/h9,12,20-21,24-25H,10-11,13-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C,C30H48,,408.375601536,IVGYNKMUKVTWBT,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,8.017805099487305 2213,11889,-1,,,,0.687359,ISDB,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,0,10.749435901641846 2214,11887,-1,,,,0.57602555,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.304102182388306 2215,11886,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NOLGXQBEFHYZHI-QPBHWVAKSA-N,"InChI=1S/C27H42O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-20H,7-16H2,1-6H3/t17-,18+,19+,20-,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H42O3,pos_1_1proton1methanol,414.313395204,NOLGXQBEFHYZHI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2216,11886,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NOLGXQBEFHYZHI-QPBHWVAKSA-N,"InChI=1S/C27H42O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-20H,7-16H2,1-6H3/t17-,18+,19+,20-,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H42O3,pos_1_1proton1methanol,414.313395204,NOLGXQBEFHYZHI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2217,11885,-1,,,,0.0,MS1_match,FYODXPUPZMUKOK-DHXCXNBESA-N,"InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O7,pos_2MNa,588.402604132,FYODXPUPZMUKOK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 2218,11884,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FYODXPUPZMUKOK-DHXCXNBESA-N,"InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O7,pos_1_1sodium,588.402604132,FYODXPUPZMUKOK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2219,11883,1755,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ZWPQNNWFHDIIGW-SOJSCTLSSA-N,"InChI=1S/C36H58O8/c1-31(2)14-15-36(19-38)21(16-31)20-8-9-24-33(5)12-11-26(44-30-29(42)28(41)27(40)22(18-37)43-30)32(3,4)23(33)10-13-34(24,6)35(20,7)17-25(36)39/h8-9,22-30,37-42H,10-19H2,1-7H3/t22-,23+,24-,25+,26+,27+,28+,29-,30+,33+,34-,35-,36-/m1/s1",CC1(C)CC[C@@]2(CO)C(=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O)C1,C36H58O8,pos_1_1proton1dmso,618.413168816,ZWPQNNWFHDIIGW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Corchorus aestuans,615658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus aestuans'],6,3,7.5 2220,11881,2158,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,FCVMOPRCAKSDFE-JUERTLPWSA-N,"InChI=1S/C35H58O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-26,28-33,36,38-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O7,pos_1_minus1proton1magnesium,590.4182541959999,FCVMOPRCAKSDFE,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 2221,11878,1242,Terpenoids,Steroids,Stigmastane steroids,0.41557655,ISDB,RUVUHIUYGJBLGI-XJZKHKOHSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O,,412.370516156,RUVUHIUYGJBLGI,Terpenoids,Steroids,Stigmastane steroids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.162306189537048 2222,11878,1242,Terpenoids,Steroids,Stigmastane steroids,0.41557655,ISDB,RUVUHIUYGJBLGI-XJZKHKOHSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O,,412.370516156,RUVUHIUYGJBLGI,Terpenoids,Steroids,Stigmastane steroids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,9.162306189537048 2223,11877,887,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_2MNa,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 2224,11876,1242,Terpenoids,Steroids,Stigmastane steroids,0.40327755,ISDB,RUVUHIUYGJBLGI-XJZKHKOHSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O,,412.370516156,RUVUHIUYGJBLGI,Terpenoids,Steroids,Stigmastane steroids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.113110184669495 2225,11875,1763,Amino acids and Peptides,Oligopeptides,Linear peptides,0.20924374,ISDB,QBUSATFFOUNQGV-APCQCXEZSA-N,"InChI=1S/C39H65N5O8/c1-13-14-16-25(6)22-26(7)37(49)41(11)31(21-23(2)3)35(47)40-36(48)34(28(9)52-29(10)45)42(12)33(24(4)5)39(51)43-20-15-17-30(43)38(50)44-27(8)18-19-32(44)46/h18-19,23-28,30-31,33-34H,13-17,20-22H2,1-12H3,(H,40,47,48)/t25-,26-,27+,28-,30+,31+,33+,34+/m1/s1",CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(=O)[C@H]([C@@H](C)OC(C)=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C,C39H65N5O8,,731.48331404,QBUSATFFOUNQGV,Amino acids and Peptides,Oligopeptides,Linear peptides,Lyngbya majuscula,588158.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya majuscula'],0,3,2.3369749784469604 2226,11874,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5735931,ISDB,CNYNNXTXLZLYLM-WKZDHGJNSA-N,"InChI=1S/C38H60O12/c1-18-15-20(29(33(5,6)45)47-19(2)40)50-38(46)28(18)34(7)13-14-37-17-36(37)12-11-24(49-30-27(43)26(42)25(41)21(16-39)48-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h10,18,20-22,24-31,39,41-46H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,27-,28-,29-,30+,31-,34-,35-,36-,37+,38-/m1/s1",CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C38H60O12,,708.40847736,CNYNNXTXLZLYLM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.294372320175171 2227,11874,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5735931,ISDB,CNYNNXTXLZLYLM-WKZDHGJNSA-N,"InChI=1S/C38H60O12/c1-18-15-20(29(33(5,6)45)47-19(2)40)50-38(46)28(18)34(7)13-14-37-17-36(37)12-11-24(49-30-27(43)26(42)25(41)21(16-39)48-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h10,18,20-22,24-31,39,41-46H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,27-,28-,29-,30+,31-,34-,35-,36-,37+,38-/m1/s1",CC(=O)O[C@H]([C@H]1C[C@@H](C)[C@H]2[C@@](O)(O1)[C@H](O)[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,C38H60O12,,708.40847736,CNYNNXTXLZLYLM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.294372320175171 2228,11870,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.5980235,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.892093896865845 2229,11866,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.34268528,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,8.870741128921509 2230,11866,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.34268528,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,8.870741128921509 2231,11866,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.34268528,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,8.870741128921509 2232,11865,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.41623262,ISDB,WDPGVNDSNNDCOT-CRIWHUKNSA-N,"InChI=1S/C36H56O10/c1-31(2)11-13-36(30(44)46-29-28(43)27(42)26(41)21(17-37)45-29)14-12-33(4)19(20(36)16-31)7-8-23-34(33,5)10-9-22-32(3,18-38)24(39)15-25(40)35(22,23)6/h7,20-24,26-29,37-39,41-43H,8-18H2,1-6H3/t20-,21+,22-,23-,24-,26+,27-,28+,29-,32-,33+,34+,35-,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O10,,648.3873479919998,WDPGVNDSNNDCOT,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,3,8.16493046283722 2233,11863,-1,,,,0.34865588,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,7.394623517990112 2234,11861,-1,,,,0.75994116,ISDB,VXXSCSBVVAFHAE-JFINTUIJSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)9-10-21-28(6)12-11-23(31)26(3,4)22(28)17-24(32)30(21,29)8/h9-10,20,22-24,31-32H,11-18H2,1-8H3/t20-,22-,23-,24+,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]3(C)[C@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1,C30H48O2,,440.365430776,VXXSCSBVVAFHAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis indica,129487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis indica'],4,0,7.039764642715454 2235,11859,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.46557584,ISDB,RGXBCSRGWBMBCF-YPPHMNHGSA-N,"InChI=1S/C30H46O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19-21,23,25,31-32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,20+,21-,23+,25-,28+,29-,30+/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,C30H46O4,,470.339609952,RGXBCSRGWBMBCF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,9.362303376197815 2236,11858,-1,,,,0.535751,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,9.143003940582275 2237,11854,547,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.7233452,ISDB,YOLUHJBWUANMDW-XRMRDTNMSA-N,"InChI=1S/C16H22O2/c1-9-14-12-7-6-10-4-3-5-11(16(10,12)2)8-13(14)18-15(9)17/h10-13H,3-8H2,1-2H3/t10-,11-,12+,13+,16-/m1/s1",CC1=C2[C@H](C[C@H]3CCC[C@@H]4CC[C@@H]2[C@]43C)OC1=O,C16H22O2,,246.161979944,YOLUHJBWUANMDW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Goniophlebium niponicum,436745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Polypodiaceae'],['Unknown'],['Goniophlebium'],['Goniophlebium niponicum'],3,3,7.393380880355835 2238,11853,-1,,,,0.0,MS1_match,IRYFKBHIOJHFLA-GELOPOQCSA-N,"InChI=1S/C15H22O2/c1-10(2)6-5-7-11(3)8-13-14(16)9-12(4)15(13)17/h6,8-9,13-14,16H,5,7H2,1-4H3/b11-8+/t13-,14+/m1/s1",CC(C)=CCC/C(C)=C/[C@H]1C(=O)C(C)=C[C@@H]1O,C15H22O2,pos_2MH,234.161979944,IRYFKBHIOJHFLA,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Litsea verticillata,1052065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea verticillata'],6,0,6.0 2239,11853,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 2240,11853,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-ZCQUVMBRSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24?,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.323959888,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 2241,11853,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2242,11853,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2243,11853,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 2244,11853,-1,,,,0.0,MS1_match,UHKHABIIDWFZIO-OEQQKIETSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h10,17-18,23-24,31,33H,8-9,11-16H2,1-7H3/t18-,23+,24-,27-,28-,29+,30-/m1/s1",CC1=C[C@@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton,468.323959888,UHKHABIIDWFZIO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 2245,11853,-1,,,,0.0,MS1_match,HBCNKOIWIKGWGW-PGMLLCDLSA-N,"InChI=1S/C30H44O4/c1-18-16-30(33,34-25(18)32)17-19(2)28(6)14-11-22-20-8-9-23-26(3,4)24(31)12-13-27(23,5)21(20)10-15-29(22,28)7/h8,11,16,19,21,23-24,31,33H,9-10,12-15,17H2,1-7H3/t19-,21-,23+,24-,27-,28+,29-,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O,C30H44O4,pos_1_1proton,468.32395988799993,HBCNKOIWIKGWGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2246,11853,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2247,11853,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-CYAVBXGNSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton,468.32395988799993,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 2248,11853,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-CYAVBXGNSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton,468.32395988799993,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 2249,11853,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-MKTOAJIBSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton,468.323959888,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2250,11853,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2251,11853,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,pos_1_1proton,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2252,11853,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 2253,11853,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2254,11853,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,pos_1_1proton,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2255,11853,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-MKTOAJIBSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton,468.323959888,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2256,11853,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 2257,11853,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2258,11853,-1,,,,0.0,MS1_match,CQTHQCHQGAZGNF-XGPPAXDNSA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19,21,23,25,32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,21-,23+,25-,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,C30H44O4,pos_1_1proton,468.323959888,CQTHQCHQGAZGNF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies forrestii,200121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies forrestii'],6,0,6.0 2259,11853,-1,,,,0.0,MS1_match,XIOGSACNJBIHRS-JBLDHEPKSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h9-10,12H,3-8H2,1-2H3,(H,16,17)/t9-,10-,12+/m0/s1",C=C(C(=O)O)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2,C15H22O2,pos_2MH,234.161979944,XIOGSACNJBIHRS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 2260,11853,-1,,,,0.0,MS1_match,OHMUFLMVZOSQEE-UKTHLTGXSA-N,"InChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)9-14-11(3)5-8-15(14)17/h9-10H,5-8H2,1-4H3/b13-9+",CC(=O)CC/C(=C\C1=C(C)CCC1=O)C(C)C,C15H22O2,pos_2MH,234.161979944,OHMUFLMVZOSQEE,Terpenoids,,,Litsea verticillata,1052065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea verticillata'],6,0,6.0 2261,11853,-1,,,,0.0,MS1_match,CODNRFYJXVEFBP-LSDHHAIUSA-N,"InChI=1S/C15H22O2/c1-9(2)11-6-5-10(3)12-7-8-15(4,17)14(16)13(11)12/h5-6,9,14,16-17H,7-8H2,1-4H3/t14-,15+/m0/s1",Cc1ccc(C(C)C)c2c1CC[C@@](C)(O)[C@H]2O,C15H22O2,pos_2MH,234.161979944,CODNRFYJXVEFBP,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Litsea verticillata,1052065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea verticillata'],6,0,6.0 2262,11853,-1,,,,0.0,MS1_match,HEIJYTOSZVGQPT-XDTLVQLUSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h9,12-13H,3-8H2,1-2H3,(H,16,17)/t9-,12-,13-/m0/s1",C=C(C(=O)O)[C@H]1CC[C@H](C)[C@@H]2CCC(C)=C2C1,C15H22O2,pos_2MH,234.161979944,HEIJYTOSZVGQPT,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 2263,11853,-1,,,,0.0,MS1_match,UFWXDPOVAJYDEP-ZDUSSCGKSA-N,"InChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)14-9-11(3)5-8-15(14)17/h5,8-10,13,17H,6-7H2,1-4H3/t13-/m0/s1",CC(=O)CC[C@H](c1cc(C)ccc1O)C(C)C,C15H22O2,pos_2MH,234.161979944,UFWXDPOVAJYDEP,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Litsea verticillata,1052065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea verticillata'],6,0,6.0 2264,11853,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-BKQYEIAFSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1proton,468.323959888,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2265,11853,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-AIALLWDPSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1proton,468.32395988799993,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2266,11853,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-ZCQUVMBRSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24?,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton,468.323959888,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 2267,11853,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-BKQYEIAFSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1proton,468.323959888,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2268,11853,-1,,,,0.0,MS1_match,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,pos_1_1proton,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 2269,11853,-1,,,,0.0,MS1_match,DETZLZBJHDSRCR-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,19-21,23-24H,1,10-17H2,2-7H3,(H,31,32)",C=C(C)C1C=CC2=C3CCC(C)(C(C)CC4CC(C)C(=O)O4)C3(C)CCC2C1(C)CCC(=O)O,C30H44O4,pos_1_1proton,468.323959888,DETZLZBJHDSRCR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2270,11853,-1,,,,0.0,MS1_match,DETZLZBJHDSRCR-QXPHUOPYSA-N,"InChI=1S/C30H44O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,19-21,23-24H,1,10-17H2,2-7H3,(H,31,32)/t19-,20-,21+,23+,24-,28+,29+,30-/m1/s1",C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O,C30H44O4,pos_1_1proton,468.323959888,DETZLZBJHDSRCR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 2271,11853,-1,,,,0.0,MS1_match,ACGCEODAXBTLQJ-RIZXRZCXSA-N,"InChI=1S/C30H44O4/c1-17(14-19-15-18(2)26(33)34-19)20-8-13-30(7)25-21(9-12-29(20,30)6)28(5)11-10-24(32)27(3,4)23(28)16-22(25)31/h15,17,19-20,23-24,32H,8-14,16H2,1-7H3/t17-,19-,20-,23+,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H44O4,pos_1_1proton,468.323959888,ACGCEODAXBTLQJ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 2272,11853,-1,,,,0.0,MS1_match,HLYMLUCSBDYNAA-AUGKFBKPSA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-21(31)17-20(3)29(7)14-10-19(2)30(29)15-11-22-23(30)8-9-24-27(4,5)25(32)12-13-28(22,24)6/h18,20,24H,2,8-17H2,1,3-7H3,(H,33,34)/t18-,20-,24+,28-,29+,30+/m1/s1",C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C,C30H44O4,pos_1_1proton,468.32395988799993,HLYMLUCSBDYNAA,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 2273,11853,-1,,,,0.0,MS1_match,ZNENPUJXYJMWKZ-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h17-18,21,24H,8-16H2,1-7H3,(H,33,34)",CC(=CC(=O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O,C30H44O4,pos_1_1proton,468.323959888,ZNENPUJXYJMWKZ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2274,11853,-1,,,,0.0,MS1_match,ABGXDYHSMIYRIC-CBIIVAGISA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(32)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16,19,22,24-25,32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,22-,24+,25-,28-,29+,30-/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O,C30H44O4,pos_1_1proton,468.323959888,ABGXDYHSMIYRIC,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 2275,11853,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-AIALLWDPSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1proton,468.32395988799993,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2276,11853,-1,,,,0.0,MS1_match,UJQGVDNQDFTTLZ-VNHYZAJKSA-N,"InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/t12-,13+,15-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1,C15H22O2,pos_2MH,234.161979944,UJQGVDNQDFTTLZ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Machilus wangchiana,587977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus wangchiana'],6,0,6.0 2277,11851,-1,,,,0.806636,ISDB,CDBDDJJFIHXISK-GRNDGOIUSA-N,"InChI=1S/C30H40O4/c1-14(2)17-20-18-19(26(34)30(20)12-11-29(15(3)4)13-16(29)30)23(32)25-27(5,6)9-8-10-28(25,7)21(18)24(33)22(17)31/h14-16,23,25,32-33H,8-13H2,1-7H3/t16-,23-,25-,28+,29+,30-/m0/s1",CC(C)C1=C2C3=C(C(=O)[C@]24CC[C@]2(C(C)C)C[C@H]42)[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=C(O)C1=O,C30H40O4,,464.29265976,CDBDDJJFIHXISK,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,10.22654390335083 2278,11849,-1,,,,0.36893573,ISDB,VNXIXXWLGRKKST-QLRGAEDESA-N,"InChI=1S/C39H66O13/c1-20(2)6-5-7-25(43)23-12-14-37(3)24(23)8-9-28-38(37,4)13-10-21-16-22(11-15-39(21,28)19-42)49-36-34(32(47)30(45)27(18-41)51-36)52-35-33(48)31(46)29(44)26(17-40)50-35/h6,21-36,40-48H,5,7-19H2,1-4H3/t21?,22?,23?,24?,25?,26-,27-,28?,29-,30-,31+,32+,33-,34-,35+,36-,37?,38?,39?/m1/s1",CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3CCC12C,C39H66O13,,742.4503421720001,VNXIXXWLGRKKST,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Gynostemma pentaphyllum,493377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Gomphogyneae'],['Gynostemma'],['Gynostemma pentaphyllum'],3,0,4.475742936134338 2279,11847,832,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_2MCH3CNNa,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 2280,11846,1096,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4005095,ISDB,DGWVBOLRGRYBRU-DLRFIJRSSA-N,"InChI=1S/C30H50O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-23,25,31,33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O3,,458.37599546,DGWVBOLRGRYBRU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.102038025856018 2281,11845,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50268155,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.5107262134552 2282,11845,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50268155,ISDB,JYDNKGUBLIKNAM-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3",C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.5107262134552 2283,11845,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50268155,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.5107262134552 2284,11845,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50268155,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,3,10.5107262134552 2285,11842,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,7.0 2286,11842,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_1proton,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,7.0 2287,11839,-1,,,,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_minus1proton1magnesium,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 2288,11839,-1,,,,0.0,MS1_match,FVWJYYTZTCVBKE-ALJGSVHGSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22+,23-,24-,25+,27-,28-,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_minus1proton1magnesium,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 2289,11839,-1,,,,0.0,MS1_match,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_minus1proton1magnesium,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 2290,11839,-1,,,,0.0,MS1_match,FVWJYYTZTCVBKE-ALJGSVHGSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22+,23-,24-,25+,27-,28-,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12,C30H50O2,pos_1_minus1proton1magnesium,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 2291,11839,-1,,,,0.0,MS1_match,FEAAYJYTVFABGY-UHNHVWPPSA-N,"InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-14-16-29(7)22-12-13-24-27(4,5)25(31)18-26(32)30(24,8)23(22)15-17-28(21,29)6/h13,19-23,26,32H,9-12,14-18H2,1-8H3/t20-,21-,22+,23-,26+,28-,29+,30+/m0/s1",CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]12C,C30H50O2,pos_1_minus1proton1magnesium,442.3810808399999,FEAAYJYTVFABGY,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus walteri,505082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus walteri'],7,0,7.0 2292,11838,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.4701416,ISDB,FUZRZQWSTPUELR-NCDDJLKJSA-N,"InChI=1S/C37H60O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(38)42-27-36(41-3)26-35-21-20-29-30-24-33(39)43-37(30,40)23-22-34(29,2)31(35)19-18-28(36)25-35/h24,28-29,31,40H,4-23,25-27H2,1-3H3/t28-,29-,31+,34-,35+,36+,37-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@@]1(OC)C[C@@]23CC[C@@H]4C5=CC(=O)O[C@]5(O)CC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C37H60O6,,600.43898964,FUZRZQWSTPUELR,Terpenoids,Diterpenoids,,Diplospora dubia,729058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Diplospora'],['Diplospora dubia'],3,0,4.880566358566284 2293,11836,838,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.45551878,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,9.322075128555298 2294,11835,57,Terpenoids,Steroids,Cardenolides,0.48287758,ISDB,FXBQKTYYCYWENA-SHBGWMHBSA-N,"InChI=1S/C37H56O13/c1-17-22(19-12-26(39)46-16-19)9-11-37(44)23-7-6-20-13-21(8-10-35(20,3)24(23)14-36(17,37)4)48-34-30(43)32(45-5)31(18(2)47-34)50-33-29(42)28(41)27(40)25(15-38)49-33/h12,18,20-25,27-34,38,40-44H,1,6-11,13-16H2,2-5H3/t18-,20+,21-,22-,23+,24-,25+,27+,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-/m0/s1",C=C1[C@@H](C2=CC(=O)OC2)CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](OC)[C@@H]5O)CC[C@]4(C)[C@H]3C[C@]12C,C37H56O13,,708.372091852,FXBQKTYYCYWENA,Terpenoids,Steroids,Cardenolides,Thevetia ahouai,536674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Thevetia'],['Thevetia ahouai'],4,3,7.431510329246521 2295,11835,57,Terpenoids,Steroids,Cardenolides,0.48287758,ISDB,FXBQKTYYCYWENA-SHBGWMHBSA-N,"InChI=1S/C37H56O13/c1-17-22(19-12-26(39)46-16-19)9-11-37(44)23-7-6-20-13-21(8-10-35(20,3)24(23)14-36(17,37)4)48-34-30(43)32(45-5)31(18(2)47-34)50-33-29(42)28(41)27(40)25(15-38)49-33/h12,18,20-25,27-34,38,40-44H,1,6-11,13-16H2,2-5H3/t18-,20+,21-,22-,23+,24-,25+,27+,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-/m0/s1",C=C1[C@@H](C2=CC(=O)OC2)CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](OC)[C@@H]5O)CC[C@]4(C)[C@H]3C[C@]12C,C37H56O13,,708.372091852,FXBQKTYYCYWENA,Terpenoids,Steroids,Cardenolides,Thevetia peruviana,851162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Thevetia'],['Thevetia peruviana'],4,3,7.431510329246521 2296,11834,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.51997733,ISDB,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,9.579909324645996 2297,11834,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.51997733,ISDB,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,9.579909324645996 2298,11834,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.51997733,ISDB,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.579909324645996 2299,11833,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.48559982,ISDB,PZUDCOPTJTUGFE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-36(2)14-8-16-39(6)26-18-32(42)40-27(22(26)9-11-30(36)39)20-43-21-28(40)24-19-44-35(40)34-23-10-12-31-37(3,4)13-7-15-38(31,5)25(23)17-29(41)33(24)34/h20,22-26,28,30-31,35H,7-19,21H2,1-6H3",CC1(C)CCCC2(C)C3CC(=O)C45C(=COCC4C4COC5C5=C4C(=O)CC4C5CCC5C(C)(C)CCCC45C)C3CCC12,C40H56O4,,600.417860272,PZUDCOPTJTUGFE,Terpenoids,Sesquiterpenoids,,Cylicodiscus gabunensis,659690.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Cylicodiscus'],['Cylicodiscus gabunensis'],4,0,5.942399263381958 2300,11831,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.47394878,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.395795106887817 2301,11828,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.40786767,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.131470680236816 2302,11827,574,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",0.25472462,ISDB,JKMGDISLOMKFOX-HZYGIUPKSA-N,"InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H54O3,,582.407295588,JKMGDISLOMKFOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Fritschiella tuberosa,337374.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Chlorophyceae'],['Tetrasporales'],['Unknown'],['Unknown'],['Fritschiella'],['Fritschiella tuberosa'],2,3,4.5188984870910645 2303,11826,-1,,,,0.45058087,ISDB,CDJCQFDFKCXDKX-ZCYOMUHCSA-N,"InChI=1S/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C32H52O9,,580.361133244,CDJCQFDFKCXDKX,Terpenoids,Steroids,Spirostane steroids,Convallaria majalis,1088891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Convallaria'],['Convallaria majalis'],4,0,5.8023234605789185 2304,11826,-1,,,,0.45058087,ISDB,CDJCQFDFKCXDKX-UHFFFAOYSA-N,"InChI=1S/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3",CC1CCC2(OC1)OC1CC3C4CCC5(O)CC(OC6OCC(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C1C2C,C32H52O9,,580.361133244,CDJCQFDFKCXDKX,Terpenoids,Steroids,Spirostane steroids,Convallaria keiskei,549658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Convallaria'],['Convallaria keiskei'],4,0,5.8023234605789185 2305,11825,663,Terpenoids,Triterpenoids,Limonoids,0.48163888,ISDB,MROCGOLKYILTRS-AYYQWHTISA-N,"InChI=1S/C32H50O8/c1-9-17(2)28(36)40-27-25-26-31(7,16-38-25)23(39-19(4)33)13-22(34)32(26,8)21-10-11-29(5,15-30(21,27)6)18(3)20-12-24(35)37-14-20/h17-18,20-23,25-27,34H,9-16H2,1-8H3/t17?,18-,20+,21-,22-,23+,25+,26-,27+,29+,30-,31+,32-/m0/s1",CCC(C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@](C)([C@H]4CC[C@@](C)([C@@H](C)[C@H]5COC(=O)C5)C[C@]14C)[C@@H]23,C32H50O8,,562.35056856,MROCGOLKYILTRS,Terpenoids,Triterpenoids,Limonoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],4,3,7.426555514335632 2306,11824,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_1proton,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,1,6.5 2307,11824,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_1proton,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,1,6.5 2308,11823,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.47483578,ISDB,BCQDLHHHLROFBT-POUSAUBHSA-N,"InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)25-23(28)20-21-24(29)26(25)30/h6-7,24,29-30H,2-5,8-21H2,1H3/b7-6-/t24-/m0/s1",CCCCC/C=C\CCCCCCCCCCCCC(=O)C1=C(O)[C@@H](O)CCC1=O,C26H44O4,,420.32395988799993,BCQDLHHHLROFBT,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Peperomia humilis,3869108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia humilis'],4,0,5.899343132972717 2309,11823,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.47483578,ISDB,BCQDLHHHLROFBT-POUSAUBHSA-N,"InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)25-23(28)20-21-24(29)26(25)30/h6-7,24,29-30H,2-5,8-21H2,1H3/b7-6-/t24-/m0/s1",CCCCC/C=C\CCCCCCCCCCCCC(=O)C1=C(O)[C@@H](O)CCC1=O,C26H44O4,,420.32395988799993,BCQDLHHHLROFBT,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Peperomia leptostachya,600420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia leptostachya'],4,0,5.899343132972717 2310,11821,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.2761202,ISDB,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,9.104480743408203 2311,11818,57,Terpenoids,Steroids,Cardenolides,0.67143285,ISDB,WGOHWIVFCMYBJP-WNLBOENISA-N,"InChI=1S/C35H56O12/c1-16(36)21-10-13-35-33(21,5)30(40)26(39)29-32(4)11-9-20(14-19(32)8-12-34(29,35)47-35)45-23-15-22(41-6)27(18(3)43-23)46-31-25(38)28(42-7)24(37)17(2)44-31/h17-31,37-40H,8-15H2,1-7H3/t17-,18-,19+,20+,21-,22+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,35-/m1/s1",CO[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]56O[C@@]57CC[C@H](C(C)=O)[C@@]7(C)[C@H](O)[C@@H](O)[C@H]46)C3)O[C@@H]2C)O[C@H](C)[C@H]1O,C35H56O12,,668.377177232,WGOHWIVFCMYBJP,Terpenoids,Steroids,Pregnane steroids,Marsdenia tenacissima,872597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Marsdenia'],['Marsdenia tenacissima'],4,2,7.685731410980225 2312,11817,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.46129537,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.345181465148926 2313,11816,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.30435568,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.717422723770142 2314,11816,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.30435568,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.717422723770142 2315,11813,-1,,,,0.0,MS1_match,OQSJKSVZJJTGQR-MKHPODSRSA-N,"InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1",C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12,C30H42O3,pos_1_1proton1ethylamine,450.313395204,OQSJKSVZJJTGQR,Terpenoids,Diterpenoids,Cembrane diterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,0,7.0 2316,11812,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.6545951,ISDB,OEWYCDKCYLIWJV-UHFFFAOYSA-N,"InChI=1S/C26H42O3/c1-16-6-11-26(28-15-16)14-22-23(29-26)13-21-19-5-4-17-12-18(27)7-9-24(17,2)20(19)8-10-25(21,22)3/h16-23,27H,4-15H2,1-3H3",CC1CCC2(CC3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)O2)OC1,C26H42O3,,402.313395204,OEWYCDKCYLIWJV,Terpenoids,Steroids,Spirostane steroids,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],4,1,7.118380308151245 2317,11811,724,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5453,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.68120002746582 2318,11811,724,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5453,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,8.68120002746582 2319,11811,724,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5453,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],5,3,8.68120002746582 2320,11811,724,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5453,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.68120002746582 2321,11811,724,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5453,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.68120002746582 2322,11810,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60760367,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],4,3,7.93041467666626 2323,11810,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60760367,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],4,3,7.93041467666626 2324,11810,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60760367,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],4,3,7.93041467666626 2325,11810,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60760367,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],4,3,7.93041467666626 2326,11810,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60760367,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,7.93041467666626 2327,11810,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60760367,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Palicourea acuminata,180169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Palicoureeae'],['Palicourea'],['Palicourea acuminata'],4,3,7.93041467666626 2328,11810,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60760367,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],4,3,7.93041467666626 2329,11809,-1,,,,0.0,MS1_match,BITNKCGZAOAJNA-CTOJUNPXSA-N,"InChI=1S/C31H42O5/c1-18-15-31(35-24(18)33)16-19(25(34-6)36-31)20-9-11-28(5)22-8-7-21-26(2,3)23(32)10-12-29(21)17-30(22,29)14-13-27(20,28)4/h10,12,15,19-22,25H,7-9,11,13-14,16-17H2,1-6H3/t19-,20-,21+,22+,25+,27-,28+,29-,30+,31-/m1/s1",CO[C@H]1O[C@]2(C=C(C)C(=O)O2)C[C@@H]1[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C,C31H42O5,pos_1_1proton1isopropanol,494.3032244439999,BITNKCGZAOAJNA,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Kleinhovia hospita,108617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Kleinhovia'],['Kleinhovia hospita'],6,0,6.0 2330,11808,-1,,,,0.68775177,ISDB,VQUQGXFXBDKZMS-JVBGLBIZSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-11-12-28(6)20(27(24,4)5)9-13-29(7)21(28)10-14-32-22-17-26(2,3)15-16-31(22,25(35)37-32)23(34)18-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23+,24-,28-,29+,30-,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,VQUQGXFXBDKZMS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Embelia schimperi,6052087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Embelia'],['Embelia schimperi'],4,0,6.751007080078125 2331,11805,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.61513436,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],4,3,7.960537433624268 2332,11805,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.61513436,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],4,3,7.960537433624268 2333,11805,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.61513436,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],4,3,7.960537433624268 2334,11805,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.61513436,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],4,3,7.960537433624268 2335,11805,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.61513436,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,7.960537433624268 2336,11805,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.61513436,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Palicourea acuminata,180169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Palicoureeae'],['Palicourea'],['Palicourea acuminata'],4,3,7.960537433624268 2337,11805,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.61513436,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],4,3,7.960537433624268 2338,11802,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60450244,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],3,3,6.9180097579956055 2339,11802,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60450244,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],3,3,6.9180097579956055 2340,11802,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60450244,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],3,3,6.9180097579956055 2341,11802,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60450244,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],3,3,6.9180097579956055 2342,11802,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60450244,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Ginkgo biloba,994084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Ginkgoales'],['Ginkgoaceae'],['Unknown'],['Ginkgo'],['Ginkgo biloba'],3,3,6.9180097579956055 2343,11802,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60450244,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,6.9180097579956055 2344,11802,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60450244,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Palicourea acuminata,180169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Palicoureeae'],['Palicourea'],['Palicourea acuminata'],3,3,6.9180097579956055 2345,11802,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.60450244,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],3,3,6.9180097579956055 2346,11799,-1,,,,0.34892288,ISDB,WAGHSYJXJAHWPX-VFTVYWMSSA-N,"InChI=1S/C30H46O2/c1-19(2)16-21-17-20(18-32-21)22-10-14-30(7)24-8-9-25-27(3,4)26(31)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,20-23,25H,9-15,17-18H2,1-7H3/t20-,21-,22+,23+,25+,28-,29+,30-/m1/s1",CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1,C30H46O2,,438.349780712,WAGHSYJXJAHWPX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus walteri,505082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus walteri'],7,0,8.395691514015198 2347,11799,-1,,,,0.34892288,ISDB,WAGHSYJXJAHWPX-LLUYJYKPSA-N,"InChI=1S/C30H46O2/c1-19(2)16-21-17-20(18-32-21)22-10-14-30(7)24-8-9-25-27(3,4)26(31)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,20-23,25H,9-15,17-18H2,1-7H3/t20-,21+,22+,23+,25+,28-,29+,30-/m1/s1",CC(C)=C[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1,C30H46O2,,438.349780712,WAGHSYJXJAHWPX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,8.395691514015198 2348,11797,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.51130074,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.54520297050476 2349,11794,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.44147062,ISDB,,,,,,,LRYCAESGFCEBNC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7658824920654297 2350,11793,456,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YVMAYTYEFBTXFR-UHFFFAOYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3",CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(OC(=O)C=Cc4ccc(O)c(O)c4)C(C)(C)C3CCC12C,C39H58O5,pos_2MMg,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2351,11793,456,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YVMAYTYEFBTXFR-MYGOKKNYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O5,pos_2MMg,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2352,11793,456,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YVMAYTYEFBTXFR-MYGOKKNYSA-N,"InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O5,pos_2MMg,606.428424956,YVMAYTYEFBTXFR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2353,11793,456,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,CDIRJUWHWWLLQA-AWPSIURNSA-N,"InChI=1S/C39H58O5/c1-26(25-40)9-8-21-39(7,43)30-18-23-37(5)29(30)15-16-32-36(4)22-20-33(35(2,3)31(36)19-24-38(32,37)6)44-34(42)17-12-27-10-13-28(41)14-11-27/h9-14,17,29-33,40-41,43H,8,15-16,18-25H2,1-7H3/b17-12+,26-9+/t29-,30+,31-,32-,33+,36+,37-,38-,39+/m1/s1",C/C(=C\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@H]3CC[C@]12C)CO,C39H58O5,pos_2MMg,606.428424956,CDIRJUWHWWLLQA,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2354,11792,490,Terpenoids,Triterpenoids,Lupane triterpenoids,0.39488623,ISDB,XFGCWXJSPYRAAG-IJVYCZBBSA-N,"InChI=1S/C32H52O3/c1-20(33)35-24-12-13-29(6)22(28(24,4)5)11-14-31(8)23(29)10-9-21-25-26-27(2,3)15-17-32(25,19-34-26)18-16-30(21,31)7/h21-26H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,26-,29+,30-,31-,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O3,,484.391645524,XFGCWXJSPYRAAG,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.07954490184784 2355,11790,1755,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,ZWPQNNWFHDIIGW-SOJSCTLSSA-N,"InChI=1S/C36H58O8/c1-31(2)14-15-36(19-38)21(16-31)20-8-9-24-33(5)12-11-26(44-30-29(42)28(41)27(40)22(18-37)43-30)32(3,4)23(33)10-13-34(24,6)35(20,7)17-25(36)39/h8-9,22-30,37-42H,10-19H2,1-7H3/t22-,23+,24-,25+,26+,27+,28+,29-,30+,33+,34-,35-,36-/m1/s1",CC1(C)CC[C@@]2(CO)C(=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O)C1,C36H58O8,pos_1_1proton1dmso,618.413168816,ZWPQNNWFHDIIGW,Terpenoids,Triterpenoids,Oleanane triterpenoids,Corchorus aestuans,615658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus aestuans'],6,3,7.5 2356,11789,3457,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7483127,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.493250846862793 2357,11788,-1,,,,0.45946753,ISDB,OZXHGDBEMSKSQT-JFJSVVLASA-N,"InChI=1S/C29H40O2/c1-25(2)17-19-18(16-24(25)31)10-14-28(6)20(19)8-9-22-27(5)13-12-23(30)26(3,4)21(27)11-15-29(22,28)7/h8-9,16,21-22H,10-15,17H2,1-7H3/t21-,22+,27-,28+,29+/m0/s1",CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CCC2=CC1=O,C29H40O2,,420.30283052,OZXHGDBEMSKSQT,Terpenoids,Triterpenoids,Fusidane triterpenoids,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],3,0,4.837870121002197 2358,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2359,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2360,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SODOCNHASA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2361,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 2362,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 2363,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OKFUMXYKQQZGEL-ORUFPOAGSA-N,"InChI=1S/C32H54O5/c1-20(2)11-10-14-31(9,35)32(36)18-17-30(8)26(32)22(37-21(3)33)19-24-28(6)15-13-25(34)27(4,5)23(28)12-16-29(24,30)7/h11,22-26,34-36H,10,12-19H2,1-9H3/t22-,23-,24-,25-,26+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,OKFUMXYKQQZGEL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2364,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AGUHAYAHWBTKAM-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-24-12-14-29(6)23(27(24,2)3)11-16-31(8)26(29)22(34)18-21-20(10-15-30(21,31)7)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CCC2(C)C(CCC3(C)C2C(O)CC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C,C32H54O5,pos_1_1sodium,518.397124828,AGUHAYAHWBTKAM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 2365,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NBEIUEYVYOEVCL-LCYMMZRTSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23-,24-,25+,26+,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 2366,11787,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NBEIUEYVYOEVCL-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12,C32H54O5,pos_1_1sodium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 2367,11785,-1,,,,0.52301073,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,0,5.092042922973633 2368,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_2MNa,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2369,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C32H54O5,pos_2MNa,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2370,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SODOCNHASA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_2MNa,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2371,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_2MNa,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 2372,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_2MNa,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 2373,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OKFUMXYKQQZGEL-ORUFPOAGSA-N,"InChI=1S/C32H54O5/c1-20(2)11-10-14-31(9,35)32(36)18-17-30(8)26(32)22(37-21(3)33)19-24-28(6)15-13-25(34)27(4,5)23(28)12-16-29(24,30)7/h11,22-26,34-36H,10,12-19H2,1-9H3/t22-,23-,24-,25-,26+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C32H54O5,pos_2MNa,518.397124828,OKFUMXYKQQZGEL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2374,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AGUHAYAHWBTKAM-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-24-12-14-29(6)23(27(24,2)3)11-16-31(8)26(29)22(34)18-21-20(10-15-30(21,31)7)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CCC2(C)C(CCC3(C)C2C(O)CC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C,C32H54O5,pos_2MNa,518.397124828,AGUHAYAHWBTKAM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 2375,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NBEIUEYVYOEVCL-LCYMMZRTSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23-,24-,25+,26+,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12,C32H54O5,pos_2MNa,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 2376,11784,172,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NBEIUEYVYOEVCL-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12,C32H54O5,pos_2MNa,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 2377,11783,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OJEUMHQEAMVIBI-UHFFFAOYSA-N,"InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)c(O)c6)C(C)(C)C5CCC43C)C2C1,C39H54O6,pos_1_1proton1dmso,618.392039448,OJEUMHQEAMVIBI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,8.5 2378,11783,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OJEUMHQEAMVIBI-UHFFFAOYSA-N,"InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)c(O)c6)C(C)(C)C5CCC43C)C2C1,C39H54O6,pos_1_1proton1dmso,618.392039448,OJEUMHQEAMVIBI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,8.5 2379,11783,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OJEUMHQEAMVIBI-QSGAFDIKSA-N,"InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30+,31-,36-,37+,38+,39-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1,C39H54O6,pos_1_1proton1dmso,618.392039448,OJEUMHQEAMVIBI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2380,11783,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OJEUMHQEAMVIBI-SBXAJAQGSA-N,"InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29-,30+,31-,36-,37+,38+,39-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C39H54O6,pos_1_1proton1dmso,618.392039448,OJEUMHQEAMVIBI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 2381,11783,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,OJEUMHQEAMVIBI-YWDNYDSNSA-N,"InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30-,31+,36+,37-,38-,39+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1,C39H54O6,pos_1_1proton1dmso,618.392039448,OJEUMHQEAMVIBI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,3,8.5 2382,11782,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.43672723,ISDB,YEEQUSCQXRSBTG-JQUSAAQFSA-N,"InChI=1S/C32H52O4/c1-20(33)36-25-10-11-28(6)21(27(25,4)5)9-12-29(7)22(28)17-24(34)32-23-18-26(2,3)13-15-31(23,19-35-32)16-14-30(29,32)8/h21-25,34H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,28-,29+,30-,31+,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O4,,500.386560144,YEEQUSCQXRSBTG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,9.746908903121948 2383,11782,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.43672723,ISDB,YEEQUSCQXRSBTG-JQUSAAQFSA-N,"InChI=1S/C32H52O4/c1-20(33)36-25-10-11-28(6)21(27(25,4)5)9-12-29(7)22(28)17-24(34)32-23-18-26(2,3)13-15-31(23,19-35-32)16-14-30(29,32)8/h21-25,34H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,28-,29+,30-,31+,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O4,,500.386560144,YEEQUSCQXRSBTG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,9.746908903121948 2384,11781,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7276366,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,3,8.41054630279541 2385,11781,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7276366,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,3,8.41054630279541 2386,11781,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7276366,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,8.41054630279541 2387,11781,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7276366,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,8.41054630279541 2388,11781,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7276366,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,3,8.41054630279541 2389,11781,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7276366,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,3,8.41054630279541 2390,11781,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7276366,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.41054630279541 2391,11780,374,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,0.7816829,ISDB,CFEBVBFXLFAFIO-POQQGIQPSA-N,"InChI=1S/C14H22/c1-10-3-4-13-12(10)9-11-5-7-14(13,2)8-6-11/h5,7,10-13H,3-4,6,8-9H2,1-2H3/t10-,11-,12-,13+,14+/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1C[C@@H]1C=C[C@@]2(C)CC1,C14H22,,190.172150704,CFEBVBFXLFAFIO,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,3,8.626731634140015 2392,11779,57,Terpenoids,Steroids,Cardenolides,0.5258481,ISDB,DWEFQZHNTHSOHD-NKXSBXEXSA-N,"InChI=1S/C45H70O19/c1-18-6-11-45(57-17-18)19(2)29-25(64-45)12-23-21-7-10-44(56)14-26(24(48)13-43(44,5)22(21)8-9-42(23,29)4)59-41-38(63-39-35(54)33(52)30(49)20(3)58-39)37(32(51)28(16-47)61-41)62-40-36(55)34(53)31(50)27(15-46)60-40/h7-8,18-20,23-41,46-56H,6,9-17H2,1-5H3/t18-,19+,20+,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35-,36-,37+,38-,39+,40+,41-,42+,43-,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3C4=CC[C@@]5(O)C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4=CC[C@]3(C)[C@H]1[C@@H]2C,C45H70O19,,914.4511300200004,DWEFQZHNTHSOHD,Terpenoids,Steroids,Spirostane steroids,Agapanthus inapertus,3993506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Agapanthus'],['Agapanthus inapertus'],4,2,7.1033923625946045 2393,11778,-1,,,,0.0,MS1_match,RSQLWSCZCOIUCP-YFSRRQDFSA-N,"InChI=1S/C31H48O7/c1-27(2)13-14-31(26(36)37)12-7-19-18(23(31)24(27)33)15-17(38-6)16-21-28(19,3)10-8-20-29(21,4)11-9-22(32)30(20,5)25(34)35/h17,20-24,32-33H,7-16H2,1-6H3,(H,34,35)(H,36,37)/t17-,20-,21+,22-,23-,24+,28+,29+,30-,31-/m1/s1",CO[C@@H]1CC2=C(CC[C@@]3(C(=O)O)CCC(C)(C)[C@@H](O)[C@@H]23)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@@H](O)[C@]3(C)C(=O)O)[C@H]2C1,C31H48O7,pos_1_1proton,532.340003876,RSQLWSCZCOIUCP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Duboscia macrocarpa,6116140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Duboscia'],['Duboscia macrocarpa'],6,0,6.0 2394,11778,-1,,,,0.0,MS1_match,BLVKOUKLGRRNGG-YGZBHLPXSA-N,"InChI=1S/C30H44O6/c1-16-9-12-30(25(35)36)14-13-27(4)18(22(30)17(16)2)7-8-20-26(3)15-19(31)23(32)29(6,24(33)34)21(26)10-11-28(20,27)5/h7,9,17,19-23,31-32H,8,10-15H2,1-6H3,(H,33,34)(H,35,36)/t17-,19+,20+,21+,22+,23-,26+,27+,28+,29+,30-/m0/s1",CC1=CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C,C30H44O6,pos_1_1proton1methanol,500.313789128,BLVKOUKLGRRNGG,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Corchorus depressus,5233031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus depressus'],6,0,6.0 2395,11776,-1,,,,0.2936384,ISDB,FSQFBVMRHUNWAT-ASSHYCDZSA-N,"InChI=1S/C35H50O4/c1-22(2)13-12-18-33(11)26(15-14-23(3)4)21-34(20-16-24(5)6)30-27(17-19-32(9,10)39-30)29(37)35(33,31(34)38)28(36)25(7)8/h13-14,16-17,19,25-26H,12,15,18,20-21H2,1-11H3/t26-,33+,34+,35-/m0/s1",CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1,C35H50O4,,534.37091008,FSQFBVMRHUNWAT,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum perforatum,618681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum perforatum'],3,0,4.174553632736206 2396,11773,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.28477675,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],3,2,5.13910698890686 2397,11772,998,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.587264,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,3,7.849056005477905 2398,11770,-1,,,,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 2399,11769,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.6281189,ISDB,SFSFDBPTPLSWRM-KXNUYETHSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,SFSFDBPTPLSWRM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,10.512475490570068 2400,11768,1030,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6303478,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],4,3,8.021391153335571 2401,11767,-1,,,,0.5488964,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.195585489273071 2402,11767,-1,,,,0.5488964,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,0,8.195585489273071 2403,11766,-1,,,,0.43466273,ISDB,QHCVHSWPBQWBFO-BOJVUXKVSA-N,"InChI=1S/C33H52O11/c1-14-26-23(43-30(14)39)11-19-17-10-22(20-9-16(34)5-7-32(20,3)18(17)6-8-33(19,26)4)42-25-12-24(27(36)15(2)41-25)44-31-29(38)28(37)21(35)13-40-31/h14-29,31,34-38H,5-13H2,1-4H3/t14-,15+,16-,17+,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+,28-,29+,31-,32+,33-/m0/s1",C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O[C@H]5C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H](C)O5)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21,C33H52O11,,624.350962484,QHCVHSWPBQWBFO,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],4,0,5.738650918006897 2404,11765,-1,,,,0.0,MS1_match,YIBOXUZUHGOJRD-UHFFFAOYSA-N,"InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(28)30-21-16-17-23-19-20-24(27)25(22-23)29-2/h16-17,19-20,22,27H,3-15,18,21H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C26H42O4,pos_1_1sodium,418.308309824,YIBOXUZUHGOJRD,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 2405,11765,-1,,,,0.0,MS1_match,YIBOXUZUHGOJRD-UHFFFAOYSA-N,"InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(28)30-21-16-17-23-19-20-24(27)25(22-23)29-2/h16-17,19-20,22,27H,3-15,18,21H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C26H42O4,pos_1_1sodium,418.308309824,YIBOXUZUHGOJRD,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2406,11764,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.24916601,ISDB,OOUTWVMJGMVRQF-NWYYEFBESA-N,"InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CCC1=O,C40H52O3,,580.391645524,OOUTWVMJGMVRQF,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],5,3,7.496664047241211 2407,11762,249,Terpenoids,Steroids,Cardenolides,0.4858369,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.4433475732803345 2408,11761,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_2MNa,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 2409,11760,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.604105,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.916419982910156 2410,11759,1454,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton1ethylamine,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 2411,11759,1454,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton1ethylamine,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2412,11759,1454,,,,0.0,MS1_match,YIBOXUZUHGOJRD-UHFFFAOYSA-N,"InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(28)30-21-16-17-23-19-20-24(27)25(22-23)29-2/h16-17,19-20,22,27H,3-15,18,21H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C26H42O4,pos_1_1proton1ammonium,418.308309824,YIBOXUZUHGOJRD,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 2413,11759,1454,,,,0.0,MS1_match,YIBOXUZUHGOJRD-UHFFFAOYSA-N,"InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(28)30-21-16-17-23-19-20-24(27)25(22-23)29-2/h16-17,19-20,22,27H,3-15,18,21H2,1-2H3",CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C26H42O4,pos_1_1proton1ammonium,418.308309824,YIBOXUZUHGOJRD,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2414,11753,-1,,,,0.4032447,ISDB,RJCXTLSYTKVXEI-UHFFFAOYSA-N,"InChI=1S/C32H62O4/c1-29(25-21-17-13-9-5-3-7-11-15-19-23-27-31(33)34)30(2)26-22-18-14-10-6-4-8-12-16-20-24-28-32(35)36/h29-30H,3-28H2,1-2H3,(H,33,34)(H,35,36)",CC(CCCCCCCCCCCCCC(=O)O)C(C)CCCCCCCCCCCCCC(=O)O,C32H62O4,,510.464810464,RJCXTLSYTKVXEI,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Thermotoga maritima,1044370.0,['Bacteria'],['Unknown'],['Unknown'],['Unknown'],['Thermotogales'],['Thermotogaceae'],['Unknown'],['Thermotoga'],['Thermotoga maritima'],0,0,1.6129788160324097 2415,11750,-1,,,,0.5553942,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.221576690673828 2416,11737,-1,,,,0.80691713,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.227668523788452 2417,11735,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.38384873,ISDB,YWBKKENLEYFYSE-FONAMCPPSA-N,"InChI=1S/C40H54O5/c1-22(2)24-17-26-28(19-30(24)41)39(9)15-11-13-37(5,6)33(39)21-32(26)45-44-31-20-29-27(18-25(31)23(3)4)34(42)35(43)36-38(7,8)14-12-16-40(29,36)10/h17-20,22-23,32-33,41,43H,11-16,21H2,1-10H3/t32-,33-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C,C40H54O5,,614.397124828,YWBKKENLEYFYSE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,1,7.035394906997681 2418,11733,-1,,,,0.34037605,ISDB,FHSVMYDBGPVTTJ-UHFFFAOYSA-N,"InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3",CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,C27H48O3,,420.360345396,FHSVMYDBGPVTTJ,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,5.3615041971206665 2419,11732,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.30490044,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.71960175037384 2420,11732,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.30490044,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.71960175037384 2421,11731,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6747464,ISDB,RLGBWHURXHONSU-UHFFFAOYSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(30(47)29(46)24(18-42)52-34)54-33-31(48)28(45)23(44)19-51-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1,C41H66O13,,766.450342172,RLGBWHURXHONSU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hedera taurica,6054793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera taurica'],4,3,8.198985576629639 2422,11727,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2423,11726,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2424,11726,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 2425,11726,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 2426,11725,-1,,,,0.0,MS1_match,OQSJKSVZJJTGQR-MKHPODSRSA-N,"InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1",C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12,C30H42O3,pos_1_1proton1ethylamine,450.313395204,OQSJKSVZJJTGQR,Terpenoids,Diterpenoids,Cembrane diterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,0,7.0 2427,11723,57,Terpenoids,Steroids,Cardenolides,0.47799194,ISDB,JGIDWVXVJZHWBH-OOAMMADKSA-N,"InChI=1S/C35H54O13/c1-16-25(38)28(41)30(48-31-29(42)27(40)26(39)23(14-36)47-31)32(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3/t16-,18+,19+,20+,21+,22-,23-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C35H54O13,,682.356441788,JGIDWVXVJZHWBH,Terpenoids,Steroids,Cardenolides,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],4,3,7.411967754364014 2428,11722,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.27195957,ISDB,ZKTIVYXHMCZVOI-FUZVIZNDSA-N,"InChI=1S/C40H52O4/c1-28(16-12-17-29(2)21-23-40-38(7,8)26-33(41)27-39(40,9)44-40)14-10-11-15-30(3)24-34-25-32(36(42)43-34)19-20-35-31(4)18-13-22-37(35,5)6/h10-18,21-25,33,35,41H,19-20,26-27H2,1-9H3/b11-10+,16-12+,23-21+,28-14+,29-17+,30-15+,34-24-/t33-,35-,39+,40-/m0/s1",CC1=CC=CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O,C40H52O4,,596.386560144,ZKTIVYXHMCZVOI,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Mantoniella squamata,696465.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Mamiellophyceae'],['Mamiellales'],['Mamiellaceae'],['Unknown'],['Mantoniella'],['Mantoniella squamata'],2,2,4.087838292121887 2429,11722,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.27195957,ISDB,ZKTIVYXHMCZVOI-FUZVIZNDSA-N,"InChI=1S/C40H52O4/c1-28(16-12-17-29(2)21-23-40-38(7,8)26-33(41)27-39(40,9)44-40)14-10-11-15-30(3)24-34-25-32(36(42)43-34)19-20-35-31(4)18-13-22-37(35,5)6/h10-18,21-25,33,35,41H,19-20,26-27H2,1-9H3/b11-10+,16-12+,23-21+,28-14+,29-17+,30-15+,34-24-/t33-,35-,39+,40-/m0/s1",CC1=CC=CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O,C40H52O4,,596.386560144,ZKTIVYXHMCZVOI,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Micromonas pusilla,216381.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Mamiellophyceae'],['Mamiellales'],['Mamiellaceae'],['Unknown'],['Micromonas'],['Micromonas pusilla'],2,2,4.087838292121887 2430,11721,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5902498,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.36099910736084 2431,11720,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,1,7.5 2432,11715,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_minus1proton1calcium,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Alchemilla pentaphyllea,962789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla pentaphyllea'],6,0,6.0 2433,11715,-1,,,,0.0,MS1_match,ATBOMIWRCZXYSZ-XZBBILGWSA-N,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO,C40H75O10P,pos_1_minus1proton1calcium,746.50978523,ATBOMIWRCZXYSZ,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Geum reptans,829918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum reptans'],6,0,6.0 2434,11712,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-YDZYAZLNSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_1proton2acetonitrile,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,2,7.0 2435,11712,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-WCBDFPTQSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_1proton2acetonitrile,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,2,7.0 2436,11706,1538,,,,0.406037,ISDB,,,,,,,VSBSGPAHKWUVGP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6241480112075806 2437,11705,1069,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5953008,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,3,6.8812031745910645 2438,11702,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.60492086,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.919683456420898 2439,11701,-1,,,,0.5915269,ISDB,DBCAVZSSFGIHQZ-UHFFFAOYSA-N,"InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3",CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1,C30H48O,,424.370516156,DBCAVZSSFGIHQZ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,10.366107702255249 2440,11700,-1,,,,0.51169646,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.046785831451416 2441,11699,-1,,,,0.39913085,ISDB,PZQDGCARUUOFKS-UHFFFAOYSA-N,"InChI=1S/C38H58O11/c1-18-17-46-33(45)38-13-12-36(6)20(27(38)22(41)14-21(18)38)8-9-26-35(5)15-23(47-19(2)40)31(34(3,4)25(35)10-11-37(26,36)7)49-32-30(44)29(43)28(42)24(16-39)48-32/h18,21,23-26,28-33,39,42-45H,8-17H2,1-7H3",CC(=O)OC1CC2(C)C(CCC3(C)C2CCC2=C4C(=O)CC5C(C)COC(O)C45CCC23C)C(C)(C)C1OC1OC(CO)C(O)C(O)C1O,C38H58O11,,690.397912676,PZQDGCARUUOFKS,Terpenoids,Triterpenoids,Neohopane triterpenoids,Striaticonidium cinctum,929260.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Unknown'],['Unknown'],['Striaticonidium'],['Myrothecium cinctum'],1,0,2.596523404121399 2442,11699,-1,,,,0.39913085,ISDB,PZQDGCARUUOFKS-UHFFFAOYSA-N,"InChI=1S/C38H58O11/c1-18-17-46-33(45)38-13-12-36(6)20(27(38)22(41)14-21(18)38)8-9-26-35(5)15-23(47-19(2)40)31(34(3,4)25(35)10-11-37(26,36)7)49-32-30(44)29(43)28(42)24(16-39)48-32/h18,21,23-26,28-33,39,42-45H,8-17H2,1-7H3",CC(=O)OC1CC2(C)C(CCC3(C)C2CCC2=C4C(=O)CC5C(C)COC(O)C45CCC23C)C(C)(C)C1OC1OC(CO)C(O)C(O)C1O,C38H58O11,,690.397912676,PZQDGCARUUOFKS,Terpenoids,Triterpenoids,Neohopane triterpenoids,Myrothecium cinctum,929260.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Unknown'],['Unknown'],['Striaticonidium'],['Myrothecium cinctum'],1,0,2.596523404121399 2443,11698,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.27704933,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.608197331428528 2444,11695,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.29085684,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.663427352905273 2445,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Aspidosperma polyneuron,326064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Aspidospermateae'],['Aspidosperma'],['Aspidosperma polyneuron'],3,1,6.440299987792969 2446,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-UHFFFAOYSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3",CCC12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia officinalis,7053209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia officinalis'],3,1,6.440299987792969 2447,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia arborea,82771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia arborea'],3,1,6.440299987792969 2448,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-IBGZPJMESA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m0/s1",CC[C@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia profunda,6068082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia profunda'],3,1,6.440299987792969 2449,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Rhazya stricta,618442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Amsonieae'],['Rhazya'],['Rhazya stricta'],3,1,6.440299987792969 2450,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Aspidosperma quebracho-blanco,619034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Aspidospermateae'],['Aspidosperma'],['Aspidosperma quebracho-blanco'],3,1,6.440299987792969 2451,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Tabernaemontana grandiflora,129616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana grandiflora'],3,1,6.440299987792969 2452,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Hunteria umbellata,516429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Hunterieae'],['Hunteria'],['Hunteria umbellata'],3,1,6.440299987792969 2453,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Vinca erecta,6068172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Vinca'],['Vinca erecta'],3,1,6.440299987792969 2454,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Gonioma kamassi,722336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Hunterieae'],['Gonioma'],['Gonioma kamassi'],3,1,6.440299987792969 2455,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Melodinus fusiformis,194019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Melodineae'],['Melodinus'],['Melodinus fusiformis'],3,1,6.440299987792969 2456,11694,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.735075,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Vinca minor,142101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Vinca'],['Vinca minor'],3,1,6.440299987792969 2457,11692,-1,,,,0.528843,ISDB,SFKPSOAYNYYOLN-IBWRYCSWSA-N,"InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O,,450.361014092,SFKPSOAYNYYOLN,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],4,0,6.115371942520142 2458,11692,-1,,,,0.528843,ISDB,SFKPSOAYNYYOLN-ZDRDPXIKSA-N,"InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22+,23-,24-,25+,26-,27-,29-,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O,,450.361014092,SFKPSOAYNYYOLN,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],4,0,6.115371942520142 2459,11690,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5939762,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.87590479850769 2460,11690,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5939762,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.87590479850769 2461,11689,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.24219128,ISDB,UWYUUTATFZTCJJ-UHFFFAOYSA-N,"InChI=1S/C44H74O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(46)56-40(35-53-44-43(49)42(48)41(47)37(54-44)36-57(50,51)52)55-38(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40-44,47-49H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,50,51,52)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C44H74O12S,,826.490098808,UWYUUTATFZTCJJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Porphyra yezoensis,726215.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Unknown'],['Bangiales'],['Bangiaceae'],['Unknown'],['Pyropia'],['Pyropia yezoensis'],2,3,4.468765139579773 2462,11688,-1,,,,0.0,MS1_match,BJEOOTAJBFPONF-HHJIMFCISA-N,"InChI=1S/C31H46O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,22-23,25H,10-17H2,1-8H3/b20-18+/t19-,22-,23-,25+,29-,30-,31+/m1/s1",COC(=O)/C(C)=C/C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,C31H46O4,pos_1_1sodium,482.339609952,BJEOOTAJBFPONF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 2463,11688,-1,,,,0.0,MS1_match,UQIDCFKBXJICNK-JWUHBZFNSA-N,"InChI=1S/C31H46O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,19,22-23,25H,2,10-18H2,1,3-8H3/t19-,22-,23-,25+,29-,30-,31+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)OC,C31H46O4,pos_1_1sodium,482.339609952,UQIDCFKBXJICNK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 2464,11688,-1,,,,0.0,MS1_match,GBYVKLYBZNCYGR-SOZACTAESA-N,"InChI=1S/C31H46O4/c1-19(2)23-9-10-25-24(30(23,6)14-13-27(32)34-8)11-12-26-29(5,15-16-31(25,26)7)21(4)18-22-17-20(3)28(33)35-22/h10,12,20-24H,1,9,11,13-18H2,2-8H3/t20-,21-,22+,23+,24-,29+,30+,31+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@@H]2C[C@@H](C)C(=O)O2)[C@@]1(C)CCC(=O)OC,C31H46O4,pos_1_1sodium,482.3396099519999,GBYVKLYBZNCYGR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2465,11688,-1,,,,0.0,MS1_match,FZAFSGBCIKDMLL-YDZNTMGJSA-N,"InChI=1S/C31H46O4/c1-19(27(33)34)17-21(32)18-20(2)30(6)15-12-24-22-9-10-25-28(3,4)26(35-8)13-14-29(25,5)23(22)11-16-31(24,30)7/h9,12,17,20,23,25-26H,10-11,13-16,18H2,1-8H3,(H,33,34)/b19-17+/t20-,23-,25+,26-,29-,30+,31-/m1/s1",CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@@]4(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)C3=CC[C@H]2C1(C)C,C31H46O4,pos_1_1sodium,482.339609952,FZAFSGBCIKDMLL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2466,11686,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3063904,ISDB,GBYVKLYBZNCYGR-SOZACTAESA-N,"InChI=1S/C31H46O4/c1-19(2)23-9-10-25-24(30(23,6)14-13-27(32)34-8)11-12-26-29(5,15-16-31(25,26)7)21(4)18-22-17-20(3)28(33)35-22/h10,12,20-24H,1,9,11,13-18H2,2-8H3/t20-,21-,22+,23+,24-,29+,30+,31+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@@H]2C[C@@H](C)C(=O)O2)[C@@]1(C)CCC(=O)OC,C31H46O4,,482.3396099519999,GBYVKLYBZNCYGR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,8.725561618804932 2467,11685,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47197488,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.387899518013 2468,11684,1,Terpenoids,Steroids,Monoalkylresorcinols,0.21565354,ISDB,LIQMFAHYIGAEHK-VFSDQHESSA-N,"InChI=1S/C24H32O5/c1-13-17-9-11-23(29-24(13)20(27)14(2)21(3,4)28-24)18-6-7-19(26)16(12-25)15(18)8-10-22(17,23)5/h6-8,10,13-14,17,20,25-27H,9,11-12H2,1-5H3/t13-,14-,17+,20+,22+,23-,24-/m0/s1",C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=Cc1c3ccc(O)c1CO,C24H32O5,,400.224974124,LIQMFAHYIGAEHK,Terpenoids,Steroids,Ergostane steroids,Agaricus blazei,831704.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Agaricaceae'],['Unknown'],['Agaricus'],['Agaricus blazei'],1,2,2.862614154815674 2469,11683,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.7256291,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],3,3,7.4025163650512695 2470,11681,-1,,,,0.6090816,ISDB,DDCXFQXXQUYLQV-LFDWGOBLSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,19,22-27H,4,7-8,10-12,14-17H2,1-3,5-6H3/t19-,22+,23-,24+,25-,26-,27+,29+,30-/m0/s1",C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12,C30H44O2,,436.334130648,DDCXFQXXQUYLQV,Terpenoids,,,Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,6.436326503753662 2471,11680,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.34525934,ISDB,IWGAWRNAVDMCGX-UHFFFAOYSA-N,"InChI=1S/C33H56O10/c1-16(14-34)5-8-22(36)17(2)26-23(37)12-21-20-7-6-18-11-19(42-31-30(41)29(40)28(39)25(15-35)43-31)9-10-32(18,3)27(20)24(38)13-33(21,26)4/h6,16-17,19-31,34-41H,5,7-15H2,1-4H3",CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3C(O)CC21C,C33H56O10,,612.387347992,IWGAWRNAVDMCGX,Terpenoids,Steroids,Cholestane steroids,Chamaelirium luteum,573294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Chamaelirium'],['Chamaelirium luteum'],4,1,5.881037354469299 2472,11679,-1,,,,0.53776735,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,8.151069402694702 2473,11679,-1,,,,0.53776735,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,8.151069402694702 2474,11679,-1,,,,0.53776735,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,0,8.151069402694702 2475,11679,-1,,,,0.53776735,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,0,8.151069402694702 2476,11679,-1,,,,0.53776735,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,8.151069402694702 2477,11678,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4481619,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,9.29264760017395 2478,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,3,8.554615259170532 2479,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.554615259170532 2480,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.554615259170532 2481,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.554615259170532 2482,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.554615259170532 2483,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus libani,608496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus libani'],5,3,8.554615259170532 2484,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-UHFFFAOYSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3",CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies grandis,343179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies grandis'],5,3,8.554615259170532 2485,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],5,3,8.554615259170532 2486,11675,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5136538,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.554615259170532 2487,11674,-1,,,,0.2601689,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,4.040675640106201 2488,11673,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.7323724,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],3,3,7.429489612579346 2489,11669,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.36406863,ISDB,,,,,,,UJHYNHQHVBTZCH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4562745094299316 2490,11668,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4491274,ISDB,CDJCQFDFKCXDKX-ZCYOMUHCSA-N,"InChI=1S/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C32H52O9,,580.361133244,CDJCQFDFKCXDKX,Terpenoids,Steroids,Spirostane steroids,Convallaria majalis,1088891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Convallaria'],['Convallaria majalis'],4,1,6.296509623527527 2491,11668,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4491274,ISDB,CDJCQFDFKCXDKX-UHFFFAOYSA-N,"InChI=1S/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3",CC1CCC2(OC1)OC1CC3C4CCC5(O)CC(OC6OCC(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C1C2C,C32H52O9,,580.361133244,CDJCQFDFKCXDKX,Terpenoids,Steroids,Spirostane steroids,Convallaria keiskei,549658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Convallaria'],['Convallaria keiskei'],4,1,6.296509623527527 2492,11667,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.528497,ISDB,RWNHLTKFBKYDOJ-WLVUEYHVSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis fissa,651161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis fissa'],5,2,8.113987922668457 2493,11667,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.528497,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,2,8.113987922668457 2494,11667,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.528497,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,8.113987922668457 2495,11667,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.528497,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,2,8.113987922668457 2496,11667,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.528497,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella esculenta,223079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella esculenta'],5,2,8.113987922668457 2497,11667,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.528497,ISDB,RWNHLTKFBKYDOJ-IJDLJTCJSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19?,20-,21?,22?,23+,26+,27+,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1,C30H48O5,,488.350174636,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,2,8.113987922668457 2498,11667,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.528497,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica gale,79360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica gale'],5,2,8.113987922668457 2499,11666,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51101196,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.544047832489014 2500,11665,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,FZMONKRUPXQHKO-HDKDJTITSA-N,"InChI=1S/C19H28O4/c1-11-5-7-13-12(15(11)16(20)21)6-8-14-18(13,2)9-4-10-19(14,3)17(22)23/h11,13-14H,4-10H2,1-3H3,(H,20,21)(H,22,23)/t11-,13-,14+,18+,19+/m0/s1",C[C@H]1CC[C@H]2C(=C1C(=O)O)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.19875937599994,FZMONKRUPXQHKO,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,7.0 2501,11665,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,2,7.0 2502,11665,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,2,7.0 2503,11664,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47651628,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.406065106391907 2504,11664,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47651628,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.406065106391907 2505,11663,1645,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.598527,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.894108057022095 2506,11657,-1,,,,0.385836,ISDB,GHOACOKPHWTSLQ-CAYKSLNOSA-N,"InChI=1S/C34H56O10/c1-17(16-42-31-30(40)29(39)28(38)25(15-35)43-31)8-11-34(41-5)18(2)27-24(44-34)14-23-21-7-6-19-12-20(36)13-26(37)33(19,4)22(21)9-10-32(23,27)3/h6,17-18,20-31,35-40H,7-16H2,1-5H3/t17-,18-,20+,21+,22-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+/m0/s1",CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C,C34H56O10,,624.387347992,GHOACOKPHWTSLQ,Terpenoids,Steroids,Furostane steroids,Nolina microcarpa,273514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Nolina'],['Nolina microcarpa'],4,0,5.543344020843506 2507,11655,537,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.33772013,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,1,7.85088050365448 2508,11654,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4666677,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.366670846939087 2509,11653,1614,Terpenoids,Steroids,Androstane steroids,0.73539895,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.441595792770386 2510,11650,-1,,,,0.2988431,ISDB,FSQFBVMRHUNWAT-ASSHYCDZSA-N,"InChI=1S/C35H50O4/c1-22(2)13-12-18-33(11)26(15-14-23(3)4)21-34(20-16-24(5)6)30-27(17-19-32(9,10)39-30)29(37)35(33,31(34)38)28(36)25(7)8/h13-14,16-17,19,25-26H,12,15,18,20-21H2,1-11H3/t26-,33+,34+,35-/m0/s1",CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1,C35H50O4,,534.37091008,FSQFBVMRHUNWAT,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum perforatum,618681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum perforatum'],3,0,4.1953723430633545 2511,11649,3457,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7555597,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.522238731384277 2512,11641,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.62951237,ISDB,IATIAUOAJIFOSI-XVTUODIHSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@H]3C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@@H]1[C@@H]2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,1,7.018049478530884 2513,11641,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.62951237,ISDB,IATIAUOAJIFOSI-UHFFFAOYSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3",CC1CCC2(OC1)OC1CC3(C)C(CCC4C3CCC3CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC34C)C1C2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus oligoclonos,200961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus oligoclonos'],4,1,7.018049478530884 2514,11641,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.62951237,ISDB,IATIAUOAJIFOSI-XVTUODIHSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@H]3C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@@H]1[C@@H]2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus racemosus,724323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus racemosus'],4,1,7.018049478530884 2515,11640,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-UHFFFAOYSA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)",CC(C)(O)C1CCC(C2CCC3(C)C4(C)CCC5C(C)(C)C(OC(=O)CC(=O)O)CCC5(C)C4CC(O)C23C)O1,C33H54O7,pos_1_1proton,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 2516,11640,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-BLMMWBQISA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20-,21-,22+,23+,24+,25+,30-,31+,32-,33+/m0/s1",CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 2517,11640,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-YCIWXRGLSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27-,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 2518,11640,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-KJARQRAKSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27+,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 2519,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ONKDPBFYYUGYFL-BBEQLWDVSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1magnesium,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,1,6.5 2520,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1magnesium,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 2521,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1magnesium,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 2522,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,KGDLSCYYZVWTEV-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C,C36H56O9,pos_1_minus1proton1magnesium,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 2523,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,KGDLSCYYZVWTEV-WNFJHCJXSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C2[C@H]1C)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]2CC[C@]13C,C36H56O9,pos_1_minus1proton1magnesium,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 2524,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,GWYQGWNTTYSJEW-WAZFAAFDSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O9,pos_1_minus1proton1magnesium,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 2525,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,GWYQGWNTTYSJEW-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3",CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1,C36H56O9,pos_1_minus1proton1magnesium,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 2526,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1magnesium,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 2527,11639,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1magnesium,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,1,6.5 2528,11632,2145,Terpenoids,Triterpenoids,Taraxerane triterpenoids,0.51011795,ISDB,RZVBCOPWRXCGFT-QDWVTVSOSA-N,"InChI=1S/C32H48O5/c1-18-11-14-32-16-15-29(6)20(24(32)31(18,8)37-26(32)35)9-10-23-28(5)17-21(36-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,18,21-25,34H,10-17H2,1-8H3/t18-,21-,22+,23-,24-,25+,28+,29-,30-,31+,32+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@H]5[C@]6(CC[C@@H](C)[C@]5(C)OC6=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O,C32H48O5,,512.350174636,RZVBCOPWRXCGFT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus serratus,5749377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus serratus'],4,2,7.040471792221069 2529,11631,2145,Terpenoids,Triterpenoids,Taraxerane triterpenoids,0.5776479,ISDB,SAARWBTZIDPOGF-KHEQSPFKSA-N,"InChI=1S/C32H46O4/c1-20(33)35-24-10-9-22-21(27(24,4)5)11-12-32-29(22,7)16-18-31(25(34)36-32)23-19-26(2,3)13-14-28(23,6)15-17-30(31,32)8/h11-12,23-24H,9-10,13-19H2,1-8H3/t23-,24+,28-,29+,30+,31+,32-/m1/s1",CC(=O)O[C@H]1CCC2=C(C=C[C@@]34OC(=O)[C@]5(CC[C@@]23C)[C@@H]2CC(C)(C)CC[C@]2(C)CC[C@]45C)C1(C)C,C32H46O4,,494.339609952,SAARWBTZIDPOGF,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Phyllanthus myrtifolius,411887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus myrtifolius'],4,3,7.810591697692871 2530,11630,-1,,,,0.7333491,ISDB,IPQPOTJMSXPTKA-LXWCWMBHSA-N,"InChI=1S/C22H30O2/c1-18(2)14-5-6-15-19(3)9-7-17(24)20(19,4)11-12-22(15)13-21(14,22)10-8-16(18)23/h8,10,14-15H,5-7,9,11-13H2,1-4H3/t14-,15+,19-,20+,21+,22-/m0/s1",CC1(C)C(=O)C=C[C@]23C[C@]24CC[C@]2(C)C(=O)CC[C@@]2(C)[C@H]4CC[C@@H]13,C22H30O2,,326.2245802,IPQPOTJMSXPTKA,Terpenoids,Diterpenoids,,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],4,0,6.933396339416504 2531,11629,-1,,,,0.6009602,ISDB,KXJMADAZFTXYKB-WBVHZDCISA-N,"InChI=1S/C17H24O2/c1-16(2)7-4-8-17(3)12-10-14(19)13(18)9-11(12)5-6-15(16)17/h9-10,15,18-19H,4-8H2,1-3H3/t15-,17+/m1/s1",CC1(C)CCC[C@@]2(C)c3cc(O)c(O)cc3CC[C@H]12,C17H24O2,,260.177630008,KXJMADAZFTXYKB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,0,6.403840780258179 2532,11625,2034,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5977325,ISDB,HLDYQDWJHMXLIV-VMYAEPHQSA-N,"InChI=1S/C31H50O5/c1-17(2)18(3)15-23-29(8,34)24-19-9-10-21-27(6)13-12-22(32)26(4,5)20(27)11-14-28(21,7)30(19)16-35-31(24,36-23)25(30)33/h17,19-25,32-34H,3,9-16H2,1-2,4-8H3/t19-,20-,21-,22+,23-,24+,25-,27+,28-,29+,30+,31-/m1/s1",C=C(C[C@H]1O[C@]23OC[C@]4([C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@H]2[C@@]1(C)O)[C@H]3O)C(C)C,C31H50O5,,502.3658247,HLDYQDWJHMXLIV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Ampelozizyphus amazonicus,140513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Ampelozizipheae'],['Ampelozizyphus'],['Ampelozizyphus amazonicus'],4,3,7.890929937362671 2533,11624,-1,,,,0.5915678,ISDB,AEZBHHCJDSVHSL-VHFSLUSLSA-N,"InChI=1S/C32H50O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10-11,20-21,24,26-27H,12-19H2,1-9H3/t20-,21+,24+,26+,27+,29-,30+,31-,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O2,,466.38108084,AEZBHHCJDSVHSL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Ficus fistulosa,116272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus fistulosa'],5,0,7.366271257400513 2534,11623,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5609086,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.743634462356567 2535,11608,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.38121873,ISDB,QOOYKHYBNHPQMH-OQFJSPSSSA-N,"InChI=1S/C36H56O11/c1-31(2)12-14-35(30(45)47-29-27(43)26(42)25(41)20(16-37)46-29)15-13-33(4)19(24(35)28(31)44)6-7-21-32(3)10-9-23(40)36(17-38,18-39)22(32)8-11-34(21,33)5/h6,17,20-29,37,39-44H,7-16,18H2,1-5H3/t20-,21?,22?,23+,24?,25-,26+,27-,28+,29+,32-,33-,34-,35+,36+/m1/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C=O)(CO)C5CC[C@]43C)C2[C@@H]1O,C36H56O11,,664.382262612,QOOYKHYBNHPQMH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,3,8.024874925613403 2536,11605,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,pos_1_minus1proton2sodium,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 2537,11605,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,pos_1_minus1proton2sodium,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 2538,11605,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,FSLPMRQHCOLESF-SFMCKYFRSA-N,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H50O,pos_1_minus1proton2sodium,426.38616622,FSLPMRQHCOLESF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 2539,11605,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,FSLPMRQHCOLESF-SFMCKYFRSA-N,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H50O,pos_1_minus1proton2sodium,426.38616622,FSLPMRQHCOLESF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 2540,11605,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,MQYXUWHLBZFQQO-QGTGJCAVSA-N,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O,pos_1_minus1proton2sodium,426.3861662199999,MQYXUWHLBZFQQO,Terpenoids,Triterpenoids,Lupane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 2541,11605,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,MQYXUWHLBZFQQO-QGTGJCAVSA-N,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O,pos_1_minus1proton2sodium,426.3861662199999,MQYXUWHLBZFQQO,Terpenoids,Triterpenoids,Lupane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 2542,11605,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,OFMXGFHWLZPCFL-SVRPQWSVSA-N,"InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C,C30H50O,pos_1_minus1proton2sodium,426.38616622,OFMXGFHWLZPCFL,Terpenoids,Triterpenoids,Friedelane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 2543,11604,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.40945497,ISDB,ICSMWVXZVJFMRP-UHFFFAOYSA-N,"InChI=1S/C23H44N6O3/c24-11-3-14-25-12-1-2-13-26-15-4-16-27-17-5-19-29(32)20-6-18-28-23(31)21-7-9-22(30)10-8-21/h7-10,25-27,30,32H,1-6,11-20,24H2,(H,28,31)",NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)c1ccc(O)cc1,C23H44N6O3,,452.347489268,ICSMWVXZVJFMRP,Alkaloids,Ornithine alkaloids,Polyamines,Agelenopsis aperta,725349.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Araneae'],['Agelenidae'],['Unknown'],['Agelenopsis'],['Agelenopsis aperta'],1,0,2.6378198862075806 2544,11603,-1,,,,0.0,MS1_match,DQVGVYRSVYCJRR-AXRVZGOCSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C,C55H74N4O5,pos_1_1proton,870.565921468,DQVGVYRSVYCJRR,Alkaloids,,,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],6,0,6.0 2545,11603,-1,,,,0.0,MS1_match,REFBLEJUPUPWLM-UHFFFAOYSA-N,"InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,59,61H,1,14-25,27H2,2-12H3",C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C,C55H74N4O5,pos_1_1proton,870.565921468,REFBLEJUPUPWLM,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Fragaria vesca,852873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria vesca'],6,0,6.0 2546,11602,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6669191,ISDB,CXYRTWBYTTYNDF-ZGZBGPTMSA-N,"InChI=1S/C30H46O4/c1-18-15-29(33-23(18)32)16-19(2)30(34-29)14-11-25(5)21-8-7-20-24(3,4)22(31)9-10-27(20)17-28(21,27)13-12-26(25,30)6/h18-22,31H,7-17H2,1-6H3/t18-,19-,20+,21+,22-,25+,26+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@@]57CC[C@@]43C)O2)OC1=O,C30H46O4,,470.33960995199993,CXYRTWBYTTYNDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,9.667676448822021 2547,11600,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3430737,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,8.872294783592224 2548,11600,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3430737,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,8.872294783592224 2549,11600,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3430737,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,8.872294783592224 2550,11598,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6573946,ISDB,CXYRTWBYTTYNDF-ZGZBGPTMSA-N,"InChI=1S/C30H46O4/c1-18-15-29(33-23(18)32)16-19(2)30(34-29)14-11-25(5)21-8-7-20-24(3,4)22(31)9-10-27(20)17-28(21,27)13-12-26(25,30)6/h18-22,31H,7-17H2,1-6H3/t18-,19-,20+,21+,22-,25+,26+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@@]57CC[C@@]43C)O2)OC1=O,C30H46O4,,470.33960995199993,CXYRTWBYTTYNDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,9.629578351974487 2551,11596,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63098174,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.0239269733428955 2552,11596,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63098174,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Ginkgo biloba,994084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Ginkgoales'],['Ginkgoaceae'],['Unknown'],['Ginkgo'],['Ginkgo biloba'],3,3,7.0239269733428955 2553,11596,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63098174,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],3,3,7.0239269733428955 2554,11596,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63098174,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],3,3,7.0239269733428955 2555,11596,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63098174,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],3,3,7.0239269733428955 2556,11596,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63098174,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],3,3,7.0239269733428955 2557,11596,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63098174,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],3,3,7.0239269733428955 2558,11596,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63098174,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Palicourea acuminata,180169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Palicoureeae'],['Palicourea'],['Palicourea acuminata'],3,3,7.0239269733428955 2559,11593,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.31571507,ISDB,GBYVKLYBZNCYGR-SOZACTAESA-N,"InChI=1S/C31H46O4/c1-19(2)23-9-10-25-24(30(23,6)14-13-27(32)34-8)11-12-26-29(5,15-16-31(25,26)7)21(4)18-22-17-20(3)28(33)35-22/h10,12,20-24H,1,9,11,13-18H2,2-8H3/t20-,21-,22+,23+,24-,29+,30+,31+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@@H]2C[C@@H](C)C(=O)O2)[C@@]1(C)CCC(=O)OC,C31H46O4,,482.3396099519999,GBYVKLYBZNCYGR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,8.762860298156738 2560,11592,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.39133385,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],5,3,8.065335392951965 2561,11592,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.39133385,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],5,3,8.065335392951965 2562,11592,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.39133385,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,3,8.065335392951965 2563,11591,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6265435,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Palicourea acuminata,180169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Palicoureeae'],['Palicourea'],['Palicourea acuminata'],4,3,8.006174087524414 2564,11591,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6265435,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliolata,840498.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifoliolata'],4,3,8.006174087524414 2565,11591,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6265435,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis trifoliata,5503578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis trifolia'],4,3,8.006174087524414 2566,11591,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6265435,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],4,3,8.006174087524414 2567,11591,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6265435,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Berberis fendleri,854435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis fendleri'],4,3,8.006174087524414 2568,11591,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6265435,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Scutellaria barbata,1093028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria barbata'],4,3,8.006174087524414 2569,11591,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6265435,ISDB,OINDWIFDMFYGDX-LDCXZXNSSA-N,"InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H36N4O5,,592.2685702519999,OINDWIFDMFYGDX,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.006174087524414 2570,11590,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.34394488,ISDB,LRLWNFCOLQJNHA-KNCJFJOOSA-N,"InChI=1S/C27H44O14/c1-10-3-4-11-15(10)16-12(26(16,2)25(36)41-24-22(35)20(33)18(31)14(8-29)40-24)5-6-27(11,37)9-38-23-21(34)19(32)17(30)13(7-28)39-23/h10-24,28-35,37H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24+,26-,27-/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H44O14,,592.2731060879998,LRLWNFCOLQJNHA,Terpenoids,Diterpenoids,,Dendrobium nobile,508208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium nobile'],3,1,4.875779509544373 2571,11589,735,Terpenoids,Triterpenoids,Lupane triterpenoids,0.46747932,ISDB,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.369917273521423 2572,11588,441,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.31973767,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Enterococcus faecium,594429.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Enterococcaceae'],['Unknown'],['Enterococcus'],['Enterococcus faecium'],0,3,2.7789506912231445 2573,11588,441,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.31973767,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Staphylococcus aureus,1090496.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Staphylococcaceae'],['Unknown'],['Staphylococcus'],['Staphylococcus aureus'],0,3,2.7789506912231445 2574,11587,-1,,,,0.0,MS1_match,BJEOOTAJBFPONF-HHJIMFCISA-N,"InChI=1S/C31H46O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,22-23,25H,10-17H2,1-8H3/b20-18+/t19-,22-,23-,25+,29-,30-,31+/m1/s1",COC(=O)/C(C)=C/C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,C31H46O4,pos_1_1potassium,482.339609952,BJEOOTAJBFPONF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 2575,11587,-1,,,,0.0,MS1_match,UQIDCFKBXJICNK-JWUHBZFNSA-N,"InChI=1S/C31H46O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,19,22-23,25H,2,10-18H2,1,3-8H3/t19-,22-,23-,25+,29-,30-,31+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)OC,C31H46O4,pos_1_1potassium,482.339609952,UQIDCFKBXJICNK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 2576,11587,-1,,,,0.0,MS1_match,GBYVKLYBZNCYGR-SOZACTAESA-N,"InChI=1S/C31H46O4/c1-19(2)23-9-10-25-24(30(23,6)14-13-27(32)34-8)11-12-26-29(5,15-16-31(25,26)7)21(4)18-22-17-20(3)28(33)35-22/h10,12,20-24H,1,9,11,13-18H2,2-8H3/t20-,21-,22+,23+,24-,29+,30+,31+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@@H]2C[C@@H](C)C(=O)O2)[C@@]1(C)CCC(=O)OC,C31H46O4,pos_1_1potassium,482.3396099519999,GBYVKLYBZNCYGR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 2577,11587,-1,,,,0.0,MS1_match,FZAFSGBCIKDMLL-YDZNTMGJSA-N,"InChI=1S/C31H46O4/c1-19(27(33)34)17-21(32)18-20(2)30(6)15-12-24-22-9-10-25-28(3,4)26(35-8)13-14-29(25,5)23(22)11-16-31(24,30)7/h9,12,17,20,23,25-26H,10-11,13-16,18H2,1-8H3,(H,33,34)/b19-17+/t20-,23-,25+,26-,29-,30+,31-/m1/s1",CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@@]4(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)C3=CC[C@H]2C1(C)C,C31H46O4,pos_1_1potassium,482.339609952,FZAFSGBCIKDMLL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 2578,11582,537,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.54028165,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],3,2,6.161126613616943 2579,11579,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.23325244,ISDB,,,,,,,VXLKXBLTTPCBMV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9330097436904907 2580,11575,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.32963252,ISDB,,,,,,,XEXQDQLQGUEYQQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3185300827026367 2581,11574,1440,,,,0.4260001,ISDB,,,,,,,SGLWTNUQYOGYIW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7040003538131714 2582,11570,-1,,,,0.5105978,ISDB,KRQUGYHEWIVMJV-RZPXKCGYSA-N,"InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-14-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-/t31-,33-,34-,35-,36-/m1/s1",CCCCCCCCCCCC/C=C\CC[C@H]1O[C@@H]1CC[C@H]1O[C@@H]1CCCCCCCCCCC1=C[C@@H](C)OC1=O,C37H64O4,,572.480460528,KRQUGYHEWIVMJV,Polyketides,Linear polyketides,Acetogenins,Annona muricata,303957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona muricata'],3,0,5.042391300201416 2583,11568,-1,,,,0.46345153,ISDB,ZVPUEKGDVVDSTC-UHFFFAOYSA-N,"InChI=1S/C28H40O4/c1-22-27(30)19-24(20-28(22)31)16-14-12-10-8-6-4-3-5-7-9-11-13-15-23-17-25(29)21-26(18-23)32-2/h3,5,17-21,29-31H,4,6-16H2,1-2H3",COc1cc(O)cc(CCCCCC=CCCCCCCCc2cc(O)c(C)c(O)c2)c1,C28H40O4,,440.29265976,ZVPUEKGDVVDSTC,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia cornudentata,300827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia cornudentata'],3,0,4.853806138038635 2584,11567,-1,,,,0.5295782,ISDB,XLXRZFLSLXHTLS-UHFFFAOYSA-N,"InChI=1S/C28H38O3/c1-16-7-8-25(3)9-11-28(6)22-15-19(29)23-17(2)24(31)20(30)14-18(23)26(22,4)10-12-27(28,5)21(25)13-16/h7,14,21-22,30-31H,8-13,15H2,1-6H3",CC1=CCC2(C)CCC3(C)C4CC(=O)c5c(cc(O)c(O)c5C)C4(C)CCC3(C)C2C1,C28H38O3,,422.282095076,XLXRZFLSLXHTLS,Terpenoids,Triterpenoids,Lupane triterpenoids,Maytenus canariensis,458948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia cassinoides'],3,0,5.118312835693359 2585,11566,-1,,,,0.6014759,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],3,0,5.405903577804565 2586,11565,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42165643,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.186625719070435 2587,11563,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,BJEOOTAJBFPONF-HHJIMFCISA-N,"InChI=1S/C31H46O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,22-23,25H,10-17H2,1-8H3/b20-18+/t19-,22-,23-,25+,29-,30-,31+/m1/s1",COC(=O)/C(C)=C/C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,C31H46O4,pos_1_1proton1ammonium,482.339609952,BJEOOTAJBFPONF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,7.5 2588,11563,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,UQIDCFKBXJICNK-JWUHBZFNSA-N,"InChI=1S/C31H46O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,19,22-23,25H,2,10-18H2,1,3-8H3/t19-,22-,23-,25+,29-,30-,31+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)OC,C31H46O4,pos_1_1proton1ammonium,482.339609952,UQIDCFKBXJICNK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,7.5 2589,11563,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,GBYVKLYBZNCYGR-SOZACTAESA-N,"InChI=1S/C31H46O4/c1-19(2)23-9-10-25-24(30(23,6)14-13-27(32)34-8)11-12-26-29(5,15-16-31(25,26)7)21(4)18-22-17-20(3)28(33)35-22/h10,12,20-24H,1,9,11,13-18H2,2-8H3/t20-,21-,22+,23+,24-,29+,30+,31+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@@H]2C[C@@H](C)C(=O)O2)[C@@]1(C)CCC(=O)OC,C31H46O4,pos_1_1proton1ammonium,482.3396099519999,GBYVKLYBZNCYGR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 2590,11563,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,AFWQAQIBFUCSBW-QMNQXNEXSA-N,"InChI=1S/C29H42O4/c1-17(15-19(30)16-18(2)26(32)33)21-8-9-22-20-7-10-24-27(3,4)25(31)12-14-29(24,6)23(20)11-13-28(21,22)5/h7,9,16-17,21,23-25,31H,8,10-15H2,1-6H3,(H,32,33)/b18-16+/t17-,21+,23-,24+,25-,28+,29-/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@@H]1CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O,C29H42O4,pos_1_1proton1ethylamine,454.30830982399993,AFWQAQIBFUCSBW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 2591,11563,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,HFGBRJFIVADATB-ZFOUYFPFSA-N,"InChI=1S/C29H42O4/c1-17(14-19-15-18(16-30)26(32)33-19)21-7-8-22-20-6-9-24-27(2,3)25(31)11-13-29(24,5)23(20)10-12-28(21,22)4/h6,15,17,19,21-24,30H,7-14,16H2,1-5H3/t17-,19-,21-,22+,23+,24+,28-,29-/m1/s1",C[C@H](C[C@@H]1C=C(CO)C(=O)O1)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C29H42O4,pos_1_1proton1ethylamine,454.308309824,HFGBRJFIVADATB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,7.5 2592,11563,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,FZAFSGBCIKDMLL-YDZNTMGJSA-N,"InChI=1S/C31H46O4/c1-19(27(33)34)17-21(32)18-20(2)30(6)15-12-24-22-9-10-25-28(3,4)26(35-8)13-14-29(25,5)23(22)11-16-31(24,30)7/h9,12,17,20,23,25-26H,10-11,13-16,18H2,1-8H3,(H,33,34)/b19-17+/t20-,23-,25+,26-,29-,30+,31-/m1/s1",CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@@]4(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)C3=CC[C@H]2C1(C)C,C31H46O4,pos_1_1proton1ammonium,482.339609952,FZAFSGBCIKDMLL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,7.5 2593,11562,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.31902042,ISDB,GBYVKLYBZNCYGR-SOZACTAESA-N,"InChI=1S/C31H46O4/c1-19(2)23-9-10-25-24(30(23,6)14-13-27(32)34-8)11-12-26-29(5,15-16-31(25,26)7)21(4)18-22-17-20(3)28(33)35-22/h10,12,20-24H,1,9,11,13-18H2,2-8H3/t20-,21-,22+,23+,24-,29+,30+,31+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@@H]2C[C@@H](C)C(=O)O2)[C@@]1(C)CCC(=O)OC,C31H46O4,,482.3396099519999,GBYVKLYBZNCYGR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,8.776081681251526 2594,11561,-1,,,,0.50873655,ISDB,PJGZRSIFHFSDIK-UHFFFAOYSA-N,"InChI=1S/C16H20O2/c1-10(2)13-7-5-11(3)14-8-6-12(9-15(13)14)16(17)18-4/h5,7,9-10H,6,8H2,1-4H3",COC(=O)C1=Cc2c(C(C)C)ccc(C)c2CC1,C16H20O2,,244.14632988,PJGZRSIFHFSDIK,Terpenoids,Monoterpenoids,,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,0,7.0349462032318115 2595,11560,2655,Shikimates and Phenylpropanoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_2MH,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,1,7.5 2596,11557,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4171745,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,9.168697953224182 2597,11554,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46229538,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.349181532859802 2598,11553,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.61039627,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.941585063934326 2599,11552,537,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.6028205,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.911282062530518 2600,11551,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.76417124,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.556684970855713 2601,11550,-1,,,,0.36573634,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],4,0,5.462945342063904 2602,11550,-1,,,,0.36573634,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],4,0,5.462945342063904 2603,11550,-1,,,,0.36573634,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Dysoxylum lenticellatum,5747796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum lenticellatum'],4,0,5.462945342063904 2604,11549,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.77476007,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,10.599040269851685 2605,11547,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.57543737,ISDB,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,3,10.801749467849731 2606,11547,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.57543737,ISDB,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula alleghaniensis,452595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alleghaniensis'],7,3,10.801749467849731 2607,11546,-1,,,,0.0,MS1_match,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,pos_1_1proton1ethylamine,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 2608,11545,-1,,,,0.0,MS1_match,HCFGMTANKHPFJU-PGTRWGDISA-N,"InChI=1S/C30H42O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,26,32-33H,8-14H2,1-7H3/t18-,19-,26+,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@@H]21,C30H42O3,pos_1_1sodium,450.313395204,HCFGMTANKHPFJU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 2609,11544,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6085766,ISDB,ISHVJVXYPLFKAL-AZUAARDMSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.934306383132935 2610,11543,-1,,,,0.5896941,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.358776330947876 2611,11542,2177,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.65352124,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],3,3,7.114084959030151 2612,11541,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6302999,ISDB,VXBAHMXIACGHEE-BJLQDIEVSA-N,"InChI=1S/C20H28O2/c1-12(2)13-8-14-15(9-16(13)21)20-7-5-6-19(3,4)18(20)10-17(14)22-11-20/h8-9,12,17-18,21H,5-7,10-11H2,1-4H3/t17-,18-,20-/m0/s1",CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3,C20H28O2,,300.208930136,VXBAHMXIACGHEE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis lawsoniana,582844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis lawsoniana'],5,3,9.021199703216553 2613,11541,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6302999,ISDB,VXBAHMXIACGHEE-BJLQDIEVSA-N,"InChI=1S/C20H28O2/c1-12(2)13-8-14-15(9-16(13)21)20-7-5-6-19(3,4)18(20)10-17(14)22-11-20/h8-9,12,17-18,21H,5-7,10-11H2,1-4H3/t17-,18-,20-/m0/s1",CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3,C20H28O2,,300.208930136,VXBAHMXIACGHEE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis formosensis,800340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis formosensis'],5,3,9.021199703216553 2614,11538,-1,,,,0.3356751,ISDB,VZPCWSKCBLYYSO-WFHLZTHJSA-N,"InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-23H,9-18H2,1-7H3/t20-,21-,22-,23-,28-,29+,30-/m0/s1",CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@H]12,C30H46O2,,438.349780712,VZPCWSKCBLYYSO,Terpenoids,Triterpenoids,Serratane triterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,7.342700362205505 2615,11537,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1proton1ethylamine,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2616,11537,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1proton1ethylamine,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2617,11536,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5539862,ISDB,GYFNYTZQAFYJEY-QTUDGBRCSA-N,"InChI=1S/C35H40O10/c1-13(12-36)7-24(37)44-35(42)21-10-20(21)32(4)22-9-17-16-8-19(16)33(5)26(17)27(25(28(38)29(33)39)15(3)30(40)43-6)34(22)18(11-23(32)35)14(2)31(41)45-34/h7,16,19-23,27,29,36,39,42H,8-12H2,1-6H3/b13-7+,25-15-/t16-,19-,20-,21+,22+,23-,27+,29+,32-,33+,34?,35-/m1/s1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4C5(OC(=O)C(C)=C5C[C@H]5[C@](O)(OC(=O)/C=C(\C)CO)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,C35H40O10,,620.26214748,GYFNYTZQAFYJEY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,2,7.215944766998291 2618,11535,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.602024,ISDB,RACYNKLBFZMILD-UHFFFAOYSA-N,"InChI=1S/C35H40O10/c1-22(36)41-21-34-28(43-29(38)17-16-24-12-8-6-9-13-24)18-26-19-35(34,45-32(26,3)4)33(5,40)20-27(42-23(2)37)30(34)44-31(39)25-14-10-7-11-15-25/h6-17,26-28,30,40H,18-21H2,1-5H3",CC(=O)OCC12C(OC(=O)C=Cc3ccccc3)CC3CC1(OC3(C)C)C(C)(O)CC(OC(C)=O)C2OC(=O)c1ccccc1,C35H40O10,,620.26214748,RACYNKLBFZMILD,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus nanoides,5513354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus nanoides'],4,2,7.408096075057983 2619,11534,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.547889,ISDB,GYFNYTZQAFYJEY-QTUDGBRCSA-N,"InChI=1S/C35H40O10/c1-13(12-36)7-24(37)44-35(42)21-10-20(21)32(4)22-9-17-16-8-19(16)33(5)26(17)27(25(28(38)29(33)39)15(3)30(40)43-6)34(22)18(11-23(32)35)14(2)31(41)45-34/h7,16,19-23,27,29,36,39,42H,8-12H2,1-6H3/b13-7+,25-15-/t16-,19-,20-,21+,22+,23-,27+,29+,32-,33+,34?,35-/m1/s1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4C5(OC(=O)C(C)=C5C[C@H]5[C@](O)(OC(=O)/C=C(\C)CO)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,C35H40O10,,620.26214748,GYFNYTZQAFYJEY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,2,7.191555976867676 2620,11533,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8123211,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.249284505844116 2621,11533,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8123211,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.249284505844116 2622,11529,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.55472875,ISDB,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.718914985656738 2623,11528,-1,,,,0.7113501,ISDB,LIZCDERBRFQENY-DVZWNPLOSA-N,"InChI=1S/C23H36O/c1-3-4-5-6-7-8-9-10-11-16-20-14-19-17-12-13-18(21(19)15(2)24)22(16)23(17)20/h12-13,16-23H,3-11,14H2,1-2H3/t16-,17+,18+,19+,20+,21+,22-,23-/m1/s1",CCCCCCCCCC[C@@H]1[C@@H]2C[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C(C)=O)[C@@H]1[C@H]42,C23H36O,,328.276615772,LIZCDERBRFQENY,,,,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],3,0,5.845400333404541 2624,11527,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.4336445,ISDB,OFKUJHJJCQCWLX-UWVXJICLSA-N,"InChI=1S/C47H72O12/c1-13-25(3)39(53)58-37-38(59-40(54)26(4)14-2)47(24-55-41-36(52)35(51)30(23-48)57-41)29(21-42(37,6)7)28-15-16-32-44(10)19-18-33(50)43(8,9)31(44)17-20-45(32,11)46(28,12)22-34(47)56-27(5)49/h13-15,29-38,41,48,50-52H,16-24H2,1-12H3/b25-13+,26-14+/t29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,41+,44-,45+,46+,47-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C,C47H72O12,,828.502377744,OFKUJHJJCQCWLX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,0,5.734578013420105 2625,11526,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6456691,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.582676410675049 2626,11525,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6443387,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,10.077354907989502 2627,11524,910,Terpenoids,Steroids,Androstane steroids,0.7223876,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.389550447463989 2628,11523,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.90103394,ISDB,IIZPXYDJLKNOIY-JXPKJXOSSA-N,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H80NO8P,,781.56215515,IIZPXYDJLKNOIY,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,6.104135751724243 2629,11522,-1,,,,0.47196236,ISDB,VNTNAZOWHUDJEO-GUGKPHJQSA-N,"InChI=1S/C30H46O5/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(32)33)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21(31)17-20(4)27(34)35/h9,19-20,22-24H,1,8,10-17H2,2-7H3,(H,32,33)(H,34,35)/t19-,20-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O5,,486.3345245719999,VNTNAZOWHUDJEO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,7.887849450111389 2630,11522,-1,,,,0.47196236,ISDB,VNTNAZOWHUDJEO-GUGKPHJQSA-N,"InChI=1S/C30H46O5/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(32)33)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21(31)17-20(4)27(34)35/h9,19-20,22-24H,1,8,10-17H2,2-7H3,(H,32,33)(H,34,35)/t19-,20-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O5,,486.3345245719999,VNTNAZOWHUDJEO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,7.887849450111389 2631,11518,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.38781488,ISDB,NISUKSVJWOFHFT-MUGLUAMSSA-N,"InChI=1S/C34H56O8/c1-21(35)39-33(9)19-15-27-31(7,17-13-25(37)29(3,4)41-27)23(33)11-12-24-32(8)18-14-26(38)30(5,6)42-28(32)16-20-34(24,10)40-22(2)36/h23-25,27-28,37H,11-20H2,1-10H3/t23-,24-,25-,27-,28-,31-,32-,33+,34-/m0/s1",CC(=O)O[C@]1(C)CC[C@@H]2OC(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC[C@]1(C)OC(C)=O,C34H56O8,,592.3975187519999,NISUKSVJWOFHFT,Terpenoids,Triterpenoids,,Raspaciona aculeata,303942.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Raspailiidae'],['Unknown'],['Raspaciona'],['Raspaciona aculeata'],1,2,3.5512595176696777 2632,11517,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.34017345,ISDB,RXBLJXFGQJJUDL-HPYAPKKGSA-N,"InChI=1S/C32H52O6/c1-19(33)36-23-11-12-27(6)21(25(23,2)3)10-13-28(7)22(27)18-20(34)24-29(28,8)14-16-31(24)30(9)15-17-32(37-30,38-31)26(4,5)35/h20-24,34-35H,10-18H2,1-9H3/t20-,21+,22-,23-,24+,27+,28-,29-,30+,31-,32-/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@H]4[C@@](C)(CC[C@@]45O[C@@]4(C(C)(C)O)CC[C@]5(C)O4)[C@]3(C)CC[C@H]2C1(C)C,C32H52O6,,532.376389384,RXBLJXFGQJJUDL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cleome amblyocarpa,517004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome amblyocarpa'],4,3,6.8606938123703 2633,11517,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.34017345,ISDB,RXBLJXFGQJJUDL-HPYAPKKGSA-N,"InChI=1S/C32H52O6/c1-19(33)36-23-11-12-27(6)21(25(23,2)3)10-13-28(7)22(27)18-20(34)24-29(28,8)14-16-31(24)30(9)15-17-32(37-30,38-31)26(4,5)35/h20-24,34-35H,10-18H2,1-9H3/t20-,21+,22-,23-,24+,27+,28-,29-,30+,31-,32-/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@H]4[C@@](C)(CC[C@@]45O[C@@]4(C(C)(C)O)CC[C@]5(C)O4)[C@]3(C)CC[C@H]2C1(C)C,C32H52O6,,532.376389384,RXBLJXFGQJJUDL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cleome africana,848416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome africana'],4,3,6.8606938123703 2634,11516,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.53587264,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,3,10.643490552902222 2635,11516,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.53587264,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,3,10.643490552902222 2636,11515,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.88824445,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.052977800369263 2637,11515,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.88824445,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.052977800369263 2638,11512,1928,Terpenoids,Diterpenoids,Labdane diterpenoids,0.32248008,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,2,8.289920330047607 2639,11511,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6666569,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.166627645492554 2640,11511,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6666569,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.166627645492554 2641,11510,-1,,,,0.0,MS1_match,FZMONKRUPXQHKO-HDKDJTITSA-N,"InChI=1S/C19H28O4/c1-11-5-7-13-12(15(11)16(20)21)6-8-14-18(13,2)9-4-10-19(14,3)17(22)23/h11,13-14H,4-10H2,1-3H3,(H,20,21)(H,22,23)/t11-,13-,14+,18+,19+/m0/s1",C[C@H]1CC[C@H]2C(=C1C(=O)O)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.19875937599994,FZMONKRUPXQHKO,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 2642,11510,-1,,,,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,0,6.0 2643,11510,-1,,,,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,0,6.0 2644,11510,-1,,,,0.0,MS1_match,SZAJWRKZJNIUSA-FXMITRFCSA-N,"InChI=1S/C24H38O2/c1-26-20-7-9-22-18(14-20)5-3-16-12-15-2-4-17-13-19(25)6-8-21(17)23(15)10-11-24(16)22/h2,16-25H,3-14H2,1H3/t16-,17+,18-,19-,20-,21-,22-,23-,24-/m0/s1",CO[C@H]1CC[C@H]2[C@@H](CC[C@H]3CC4=CC[C@@H]5C[C@@H](O)CC[C@@H]5[C@H]4CC[C@@H]32)C1,C24H38O2,pos_1_minus1proton2sodium,358.287180456,SZAJWRKZJNIUSA,Terpenoids,Steroids,Estrane steroids,Pinus taiwanensis,217130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taiwanensis'],6,0,6.0 2645,11509,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41373006,ISDB,,,,,,,NMRHHHZPLKEZCP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.654920220375061 2646,11508,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6333304,ISDB,,,,,,,DSRUPIUWBWOXGJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5333216190338135 2647,11506,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6618123,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.147249221801758 2648,11506,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6618123,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.147249221801758 2649,11503,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_1_1potassium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 2650,11503,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_1_1potassium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 2651,11502,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.65047455,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.601898193359375 2652,11499,-1,,,,0.35449696,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,7.417987823486328 2653,11498,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.39699993,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.087999701499939 2654,11497,2856,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47519985,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.40079939365387 2655,11497,2856,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47519985,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.40079939365387 2656,11496,1928,Terpenoids,Diterpenoids,Labdane diterpenoids,0.31030864,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,2,7.241234540939331 2657,11496,1928,Terpenoids,Diterpenoids,Labdane diterpenoids,0.31030864,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,2,7.241234540939331 2658,11494,2053,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.7085579,ISDB,ZGWCAZMHNIWYIX-NKBRNNLVSA-N,"InChI=1S/C31H48O5/c1-25(2)11-12-29(24(35)36-6)13-14-31-17-30(31,22(29)16-25)10-8-21-26(3)15-19(33)23(34)27(4,18-32)20(26)7-9-28(21,31)5/h8,10,19-23,32-34H,7,9,11-18H2,1-6H3/t19-,20-,21-,22-,23-,26+,27-,28-,29+,30-,31-/m1/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@]13C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]1(CC2)C3,C31H48O5,,500.3501746359999,ZGWCAZMHNIWYIX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunella vulgaris,305931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Prunella'],['Prunella vulgaris'],4,3,8.334231615066528 2659,11493,1,Terpenoids,Steroids,Monoalkylresorcinols,0.24448965,ISDB,RFXJKCXWJAFPEB-UHFFFAOYSA-N,"InChI=1S/C21H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(17-19)26-27(23,24)25/h16-18,22H,2-15H2,1H3,(H,23,24,25)",CCCCCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1,C21H36O5S,,400.228345252,RFXJKCXWJAFPEB,Polyketides,Alkylresorcinols,Monoalkylresorcinols,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.477958619594574 2660,11492,1,Terpenoids,Steroids,Monoalkylresorcinols,0.22974654,ISDB,OUDIAGBGSBUTLH-IWIIRVLKSA-N,"InChI=1S/C24H32O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,11,13,16-20,25-26,28H,4-5,7-10,12H2,1-2H3/t16-,17-,18-,19+,20+,22+,23+,24+/m1/s1",C[C@@]12[C@@H](c3ccc(=O)oc3)CC[C@]1(O)[C@@H]1CCC3=C[C@H](O)CC[C@]3(C)[C@H]1C[C@@H]2O,C24H32O5,,400.224974124,OUDIAGBGSBUTLH,Terpenoids,Steroids,Bufadienolides,Drimia maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,2,4.918986141681671 2661,11492,1,Terpenoids,Steroids,Monoalkylresorcinols,0.22974654,ISDB,OUDIAGBGSBUTLH-IWIIRVLKSA-N,"InChI=1S/C24H32O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,11,13,16-20,25-26,28H,4-5,7-10,12H2,1-2H3/t16-,17-,18-,19+,20+,22+,23+,24+/m1/s1",C[C@@]12[C@@H](c3ccc(=O)oc3)CC[C@]1(O)[C@@H]1CCC3=C[C@H](O)CC[C@]3(C)[C@H]1C[C@@H]2O,C24H32O5,,400.224974124,OUDIAGBGSBUTLH,Terpenoids,Steroids,Bufadienolides,Urginea maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,2,4.918986141681671 2662,11491,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.63899803,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5559921264648438 2663,11490,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65334773,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.113390922546387 2664,11487,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.66323155,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,10.152926206588745 2665,11487,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.66323155,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,10.152926206588745 2666,11486,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.28609204,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,4.1443681716918945 2667,11485,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.53137815,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.625512599945068 2668,11482,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.36055332,ISDB,SFSFDBPTPLSWRM-KXNUYETHSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,SFSFDBPTPLSWRM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,9.442213296890259 2669,11481,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.66290236,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.151609420776367 2670,11480,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.28193927,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,4.1277570724487305 2671,11478,-1,,,,0.8256153,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.30246114730835 2672,11477,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65683866,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.127354621887207 2673,11475,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.819912,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.779648065567017 2674,11473,394,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1sodium,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2675,11472,2325,Polyketides,Aromatic polyketides,Catechols with side chains,0.51906836,ISDB,ZKAFFZVLVFKGQV-UHFFFAOYSA-N,"InChI=1S/C26H38O2/c1-27-25-22-16-21-24(26(25)28-2)20-15-10-8-6-4-3-5-7-9-12-17-23-18-13-11-14-19-23/h11,13-14,16,18-19,21-22H,3-10,12,15,17,20H2,1-2H3",COc1cccc(CCCCCCCCCCCCc2ccccc2)c1OC,C26H38O2,,382.287180456,ZKAFFZVLVFKGQV,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,3,7.576273441314697 2676,11471,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1proton1ethylamine,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2677,11471,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LKRKFHZNHGXEGW-BSIRHWNGSA-N,"InChI=1S/C32H54O4/c1-20(2)11-10-15-32(9,35)22-12-17-31(8)27(22)23(36-21(3)33)19-25-29(6)16-14-26(34)28(4,5)24(29)13-18-30(25,31)7/h11,22-27,34-35H,10,12-19H2,1-9H3/t22-,23+,24-,25+,26+,27-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C32H54O4,pos_1_1proton1ammonium,502.402210208,LKRKFHZNHGXEGW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2678,11469,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46502286,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.3600914478302 2679,11468,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.55997556,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.7399022579193115 2680,11467,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.27584845,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,4.103393793106079 2681,11466,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.45117995,ISDB,JKMCYAOEYROQRV-MLJWBVARSA-N,"InChI=1S/C38H60O11/c1-33(2)14-15-38(32(46)47-19-27(41)42)21(16-33)20-8-9-24-35(5)12-11-26(49-31-30(45)29(44)28(43)22(18-39)48-31)34(3,4)23(35)10-13-36(24,6)37(20,7)17-25(38)40/h8,21-26,28-31,39-40,43-45H,9-19H2,1-7H3,(H,41,42)/t21-,22+,23-,24+,25+,26-,28+,29-,30+,31-,35-,36+,37+,38+/m0/s1",CC1(C)CC[C@]2(C(=O)OCC(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C38H60O11,,692.41356274,JKMCYAOEYROQRV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aster auriculatus,83905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster auriculatus'],4,3,7.304719805717468 2682,11465,-1,,,,0.36654222,ISDB,XXZWCTRZKAWIKE-BMYMVBGCSA-N,"InChI=1S/C30H42O5/c1-16(2)21-22(33)26-12-9-18-24(4,5)10-8-11-27(18)15-29(26)28(17(3)31,20(32)14-26)13-19-25(6,7)34-23(21)30(19,29)35-27/h16,18-20,32H,8-15H2,1-7H3/t18-,19-,20+,26-,27-,28+,29?,30-/m0/s1",CC(=O)[C@@]12C[C@H]3C(C)(C)OC4=C(C(C)C)C(=O)[C@]5(CC[C@H]6C(C)(C)CCC[C@]67CC51[C@@]43O7)C[C@H]2O,C30H42O5,,482.303224444,XXZWCTRZKAWIKE,,,,Salvia hydrangea,574323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia hydrangea'],3,0,4.4661688804626465 2683,11464,-1,,,,0.7828188,ISDB,CDBDDJJFIHXISK-GRNDGOIUSA-N,"InChI=1S/C30H40O4/c1-14(2)17-20-18-19(26(34)30(20)12-11-29(15(3)4)13-16(29)30)23(32)25-27(5,6)9-8-10-28(25,7)21(18)24(33)22(17)31/h14-16,23,25,32-33H,8-13H2,1-7H3/t16-,23-,25-,28+,29+,30-/m0/s1",CC(C)C1=C2C3=C(C(=O)[C@]24CC[C@]2(C(C)C)C[C@H]42)[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=C(O)C1=O,C30H40O4,,464.29265976,CDBDDJJFIHXISK,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,10.131275177001953 2684,11461,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4856813,ISDB,RGXBCSRGWBMBCF-YPPHMNHGSA-N,"InChI=1S/C30H46O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19-21,23,25,31-32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,20+,21-,23+,25-,28+,29-,30+/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,C30H46O4,,470.339609952,RGXBCSRGWBMBCF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,9.44272518157959 2685,11460,601,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_2MNa,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2686,11459,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_2MH,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2687,11458,2766,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5499444,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.699777603149414 2688,11457,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3667129,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,9.966851592063904 2689,11457,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3667129,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,9.966851592063904 2690,11455,-1,,,,0.5737808,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,0,8.295123100280762 2691,11455,-1,,,,0.5737808,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.295123100280762 2692,11454,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6532757,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.113102912902832 2693,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.536789417266846 2694,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.536789417266846 2695,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.536789417266846 2696,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.536789417266846 2697,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.536789417266846 2698,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.536789417266846 2699,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.536789417266846 2700,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.536789417266846 2701,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.536789417266846 2702,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.536789417266846 2703,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.536789417266846 2704,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.536789417266846 2705,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.536789417266846 2706,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.536789417266846 2707,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.536789417266846 2708,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.536789417266846 2709,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.536789417266846 2710,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.536789417266846 2711,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.536789417266846 2712,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.536789417266846 2713,11452,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50919735,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.536789417266846 2714,11451,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.65684587,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6273834705352783 2715,11449,1923,Terpenoids,Sesquiterpenoids,Cyclolaurane sesquiterpenoids,0.9036153,ISDB,XNIZFYLMUVNEOT-MUVIMXQCSA-N,"InChI=1S/C30H38O2/c1-17-11-25(31)23(27(3)9-7-19-15-29(19,27)5)13-21(17)22-14-24(26(32)12-18(22)2)28(4)10-8-20-16-30(20,28)6/h11-14,19-20,31-32H,7-10,15-16H2,1-6H3/t19-,20-,27+,28+,29+,30+/m1/s1",Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1-c1cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)cc1C,C30H38O2,,430.287180456,XNIZFYLMUVNEOT,Terpenoids,Sesquiterpenoids,Cyclolaurane sesquiterpenoids,Laurencia tristicha,4012273.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Laurencia'],['Laurencia tristicha'],2,3,7.114461183547974 2716,11449,1923,Terpenoids,Sesquiterpenoids,Cyclolaurane sesquiterpenoids,0.9036153,ISDB,XNIZFYLMUVNEOT-MUVIMXQCSA-N,"InChI=1S/C30H38O2/c1-17-11-25(31)23(27(3)9-7-19-15-29(19,27)5)13-21(17)22-14-24(26(32)12-18(22)2)28(4)10-8-20-16-30(20,28)6/h11-14,19-20,31-32H,7-10,15-16H2,1-6H3/t19-,20-,27+,28+,29+,30+/m1/s1",Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1-c1cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)cc1C,C30H38O2,,430.287180456,XNIZFYLMUVNEOT,Terpenoids,Sesquiterpenoids,Cyclolaurane sesquiterpenoids,Laurencia nidifica,952487.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Laurencia'],['Laurencia nidifica'],2,3,7.114461183547974 2717,11445,2766,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5595134,ISDB,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,10.738053560256958 2718,11445,2766,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5595134,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,10.738053560256958 2719,11444,2325,Polyketides,Aromatic polyketides,Catechols with side chains,0.5159495,ISDB,ZKAFFZVLVFKGQV-UHFFFAOYSA-N,"InChI=1S/C26H38O2/c1-27-25-22-16-21-24(26(25)28-2)20-15-10-8-6-4-3-5-7-9-12-17-23-18-13-11-14-19-23/h11,13-14,16,18-19,21-22H,3-10,12,15,17,20H2,1-2H3",COc1cccc(CCCCCCCCCCCCc2ccccc2)c1OC,C26H38O2,,382.287180456,ZKAFFZVLVFKGQV,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,3,7.563797950744629 2720,11443,-1,,,,0.771158,ISDB,BEERHVKGSHXGPX-OXFPABETSA-N,"InChI=1S/C23H36N2O/c1-14-18-7-8-20-17-6-5-15-13-16(25(3)4)9-11-22(15,2)19(17)10-12-23(18,20)21(26)24-14/h5,14,16-20H,6-13H2,1-4H3,(H,24,26)/t14?,16-,17+,18+,19-,20-,22-,23-/m0/s1",CC1NC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@H]13,C23H36N2O,,356.282763772,BEERHVKGSHXGPX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Holarrhena pubescens,495827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena pubescens'],4,0,7.08463191986084 2721,11441,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.81206125,ISDB,MWKLDMFBNRCDPE-KZZRWZIVSA-N,"InChI=1S/C12H18/c1-11-4-2-3-5-12(11)9-6-8(11)7-10(9)12/h8-10H,2-7H2,1H3/t8-,9+,10-,11-,12+/m0/s1",C[C@@]12CCCC[C@]13[C@@H]1C[C@H]2C[C@@H]13,C12H18,,162.140850576,MWKLDMFBNRCDPE,Terpenoids,Sesquiterpenoids,,Santalum album,1028931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Santalum'],['Santalum album'],3,2,7.248245000839233 2722,11439,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8398493,ISDB,MDAXYSXRAMOWLY-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h7-8H,3-6H2,1-2H3",Cc1cc(C)c2c(c1)CCCC2,C12H16,,160.125200512,MDAXYSXRAMOWLY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.859397172927856 2723,11437,-1,,,,0.38343418,ISDB,VZPCWSKCBLYYSO-WFHLZTHJSA-N,"InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-23H,9-18H2,1-7H3/t20-,21-,22-,23-,28-,29+,30-/m0/s1",CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@H]12,C30H46O2,,438.349780712,VZPCWSKCBLYYSO,Terpenoids,Triterpenoids,Serratane triterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,7.533736705780029 2724,11436,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4939841,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.47593641281128 2725,11435,255,Terpenoids,Triterpenoids,Ergostane steroids,0.48535764,ISDB,,,,,,,XTRSXYIHSDLQAO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9414305686950684 2726,11432,-1,,,,0.0,MS1_match,GKSMIYCLWJISJQ-IOIGEALESA-N,"InChI=1S/C35H56O8/c1-30(2)14-16-35(29(40)41)17-15-33(6)19(24(35)27(30)39)8-9-22-32(5)12-11-23(31(3,4)21(32)10-13-34(22,33)7)43-28-26(38)25(37)20(36)18-42-28/h8,20-28,36-39H,9-18H2,1-7H3,(H,40,41)/t20-,21+,22+,23-,24+,25-,26+,27-,28-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C35H56O8,pos_1_minus1proton1magnesium,604.397518752,GKSMIYCLWJISJQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 2727,11432,-1,,,,0.0,MS1_match,MFIXLWYJTVEVGO-YHGWSDCJSA-N,"InChI=1S/C35H56O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(36)18-42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)/t19-,21+,22+,23-,24+,25+,26-,27-,28+,31+,32-,33-,34-,35+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C35H56O8,pos_1_minus1proton1magnesium,604.397518752,MFIXLWYJTVEVGO,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 2728,11432,-1,,,,0.0,MS1_match,BVROVRQTLAUYFB-DDRXLDBXSA-N,"InChI=1S/C35H56O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(18-36)42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)/t19-,21-,22+,23-,24+,25-,26+,27-,28-,31+,32-,33-,34-,35+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C35H56O8,pos_1_minus1proton1magnesium,604.397518752,BVROVRQTLAUYFB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 2729,11430,-1,,,,0.0,MS1_match,OKGZCXPDJKKZAP-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3",Cc1ccc(CO)cc1C,C9H12O,pos_1_minus1proton1magnesium,136.088815004,OKGZCXPDJKKZAP,,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 2730,11428,-1,,,,0.7186434,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.874573707580566 2731,11421,1453,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.56063914,ISDB,,,,,,,CJCVYNYHOBNCBY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.242556571960449 2732,11420,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.47929403,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.417176127433777 2733,11419,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51715493,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.568619728088379 2734,11419,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51715493,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.568619728088379 2735,11418,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4552416,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.320966362953186 2736,11417,103,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.32365596,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],4,0,5.294623851776123 2737,11416,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.81054825,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.24219298362732 2738,11416,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.81054825,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.24219298362732 2739,11415,1322,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3628492,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,8.951396822929382 2740,11414,347,Terpenoids,Triterpenoids,Cholestane steroids,0.439527,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,2,9.758108019828796 2741,11414,347,Terpenoids,Triterpenoids,Cholestane steroids,0.439527,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,2,9.758108019828796 2742,11414,347,Terpenoids,Triterpenoids,Cholestane steroids,0.439527,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,9.758108019828796 2743,11414,347,Terpenoids,Triterpenoids,Cholestane steroids,0.439527,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,2,9.758108019828796 2744,11414,347,Terpenoids,Triterpenoids,Cholestane steroids,0.439527,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,2,9.758108019828796 2745,11411,-1,,,,0.51741004,ISDB,HOLQVKHMRPVKIZ-LFLZMPDASA-N,"InChI=1S/C48H76O19/c1-20-10-15-48(67-42(20)58-7)21(2)32-29(66-48)17-28-26-9-8-24-16-25(11-13-46(24,5)27(26)12-14-47(28,32)6)61-45-41(65-43-37(55)35(53)33(51)22(3)60-43)39(57)40(30(18-49)62-45)64-44-38(56)36(54)34(52)31(63-44)19-59-23(4)50/h8,20-22,25-45,49,51-57H,9-19H2,1-7H3/t20-,21+,22+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39+,40-,41-,42+,43+,44+,45-,46+,47+,48+/m1/s1",CO[C@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C48H76O19,,956.4980802120004,HOLQVKHMRPVKIZ,Terpenoids,Steroids,Furostane steroids,Lilium speciosum,592246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Lilium'],['Lilium speciosum'],3,0,5.069640159606934 2746,11408,-1,,,,0.41107818,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,6.644312739372253 2747,11407,1526,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2704414,ISDB,SOJWLJKPIIODOH-QRVBRYPASA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,7.581765651702881 2748,11404,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,1,6.5 2749,11404,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,1,6.5 2750,11404,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,RVANPUKYRWGEGO-DYSPHRFESA-N,"InChI=1S/C35H62O7/c1-7-22(20(2)3)9-8-21(4)25-10-11-26-24-13-17-35(40)18-23(12-16-34(35,6)27(24)14-15-33(25,26)5)41-32-31(39)30(38)29(37)28(19-36)42-32/h20-32,36-40H,7-19H2,1-6H3/t21-,22-,23+,24+,25-,26+,27+,28-,29-,30+,31-,32-,33-,34-,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H62O7,pos_2MFe,594.4495543239999,RVANPUKYRWGEGO,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,1,6.5 2751,11402,2395,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47648534,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.405941367149353 2752,11402,2395,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.47648534,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.405941367149353 2753,11401,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76478416,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],4,3,8.559136629104614 2754,11401,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76478416,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,8.559136629104614 2755,11401,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76478416,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio cinerascens,637393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Packera'],['Packera tomentosa'],4,3,8.559136629104614 2756,11401,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76478416,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Origanum dubium,61897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum majorana'],4,3,8.559136629104614 2757,11401,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76478416,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Salvia fruticosa,287408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia fruticosa'],4,3,8.559136629104614 2758,11401,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76478416,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Origanum majorana,61897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum majorana'],4,3,8.559136629104614 2759,11401,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76478416,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Salvia triloba,287408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia fruticosa'],4,3,8.559136629104614 2760,11400,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36472228,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.958889126777649 2761,11398,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.76324886,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,10.552995443344116 2762,11395,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.500419,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,2,10.001676082611084 2763,11394,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.37611166,ISDB,MZXSKLSWTRMINA-UHFFFAOYSA-N,"InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h16-21,24H,2-15H2,1H3",CCCCCCCCCCCCCCCC=Cc1cccc(O)c1,C23H38O,,330.292265836,MZXSKLSWTRMINA,Polyketides,Aromatic polyketides,Catechols with side chains,Schistochila appendiculata,961872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Schistochilaceae'],['Unknown'],['Schistochila'],['Schistochila appendiculata'],3,0,4.504446625709534 2764,11392,-1,,,,0.483657,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,7.934628009796143 2765,11388,1184,Terpenoids,Diterpenoids,Gibberellins,0.82209915,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,9.78839659690857 2766,11388,1184,Terpenoids,Diterpenoids,Gibberellins,0.82209915,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.78839659690857 2767,11386,109,Fatty acids,Fatty amides,Primary amides,0.22275601,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,0,3.8910240530967712 2768,11386,109,Fatty acids,Fatty amides,Primary amides,0.22275601,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,0,3.8910240530967712 2769,11385,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7666605,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.566642045974731 2770,11383,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.42986184,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.719447374343872 2771,11383,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.42986184,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.719447374343872 2772,11382,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 2773,11379,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33823648,ISDB,LBHNBCSSFWFWIR-OSTWSGHESA-N,"InChI=1S/C21H30O5/c1-13(2)20-9-10-21(26-25-20)14(12-20)15(22)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h12-13,16H,6-11H2,1-5H3/t16-,18+,19-,20+,21-/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3,C21H30O5,,362.20932406,LBHNBCSSFWFWIR,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.852945923805237 2774,11378,-1,,,,0.34513432,ISDB,WTFVTPDZPCKVCO-FPSIIMKOSA-N,"InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1",C/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,C24H38N4O4,,446.289305696,WTFVTPDZPCKVCO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Aspergillus sclerotiorum,932281.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus sclerotiorum'],1,0,2.380537271499634 2775,11376,-1,,,,0.0,MS1_match,FKTQBZHKUPHHSC-LNVBJZNQSA-N,"InChI=1S/C39H56O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,28-32,34,40-41H,1,13-14,16-24H2,2-7H3/b15-10+/t28-,29+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O4,pos_1_minus1proton1iron,588.417860272,FKTQBZHKUPHHSC,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2776,11376,-1,,,,0.0,MS1_match,FKTQBZHKUPHHSC-LNVBJZNQSA-N,"InChI=1S/C39H56O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,28-32,34,40-41H,1,13-14,16-24H2,2-7H3/b15-10+/t28-,29+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O4,pos_1_minus1proton1iron,588.417860272,FKTQBZHKUPHHSC,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2777,11376,-1,,,,0.0,MS1_match,NIKLINODNHPPMX-HBWVHPEESA-N,"InChI=1S/C39H56O4/c1-24(2)26-15-18-36(5)21-22-38(7)27(34(26)36)11-13-31-37(6)19-17-32(35(3,4)30(37)16-20-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-10,12,14,23,26-27,30-32,34,40-41H,1,11,13,15-22H2,2-8H3/b14-10+/t26-,27+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O4,pos_1_minus1proton1iron,588.417860272,NIKLINODNHPPMX,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2778,11376,-1,,,,0.0,MS1_match,NIKLINODNHPPMX-HBWVHPEESA-N,"InChI=1S/C39H56O4/c1-24(2)26-15-18-36(5)21-22-38(7)27(34(26)36)11-13-31-37(6)19-17-32(35(3,4)30(37)16-20-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-10,12,14,23,26-27,30-32,34,40-41H,1,11,13,15-22H2,2-8H3/b14-10+/t26-,27+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O4,pos_1_minus1proton1iron,588.417860272,NIKLINODNHPPMX,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 2779,11374,490,Terpenoids,Triterpenoids,Lupane triterpenoids,0.3339877,ISDB,OFENEEUMCBVFDF-JMWSKRQESA-N,"InChI=1S/C35H54O6/c1-20-13-16-35(30(38)39-10)18-17-33(8)24(28(35)21(20)2)11-12-27-32(7)19-25(40-22(3)36)29(41-23(4)37)31(5,6)26(32)14-15-34(27,33)9/h11,20-21,25-29H,12-19H2,1-10H3/t20-,21+,25-,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C35H54O6,,570.392039448,OFENEEUMCBVFDF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Hedyotis lawsoniae,85711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Hedyotis'],['Hedyotis lawsoniae'],4,2,6.33595085144043 2780,11373,490,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6102318,ISDB,PBMPADBLIVUKNI-GTJKSHLTSA-N,"InChI=1S/C33H50O4/c1-19-12-15-33-17-16-30(7)20(24(33)32(19,9)37-26(33)34)10-11-23-29(6)18-21-25(36-28(4,5)35-21)27(2,3)22(29)13-14-31(23,30)8/h19,21-23,25H,10-18H2,1-9H3/t19-,21+,22+,23-,25+,29+,30-,31-,32+,33+/m1/s1",C[C@@H]1CC[C@]23CC[C@]4(C)C(=C2[C@@]1(C)OC3=O)CC[C@@H]1[C@@]2(C)C[C@@H]3OC(C)(C)O[C@@H]3C(C)(C)[C@@H]2CC[C@]14C,C33H50O4,,510.37091008,PBMPADBLIVUKNI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],4,2,7.440927267074585 2781,11373,490,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6102318,ISDB,PBMPADBLIVUKNI-GTJKSHLTSA-N,"InChI=1S/C33H50O4/c1-19-12-15-33-17-16-30(7)20(24(33)32(19,9)37-26(33)34)10-11-23-29(6)18-21-25(36-28(4,5)35-21)27(2,3)22(29)13-14-31(23,30)8/h19,21-23,25H,10-18H2,1-9H3/t19-,21+,22+,23-,25+,29+,30-,31-,32+,33+/m1/s1",C[C@@H]1CC[C@]23CC[C@]4(C)C(=C2[C@@]1(C)OC3=O)CC[C@@H]1[C@@]2(C)C[C@@H]3OC(C)(C)O[C@@H]3C(C)(C)[C@@H]2CC[C@]14C,C33H50O4,,510.37091008,PBMPADBLIVUKNI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],4,2,7.440927267074585 2782,11372,-1,,,,0.0,MS1_match,FZMONKRUPXQHKO-HDKDJTITSA-N,"InChI=1S/C19H28O4/c1-11-5-7-13-12(15(11)16(20)21)6-8-14-18(13,2)9-4-10-19(14,3)17(22)23/h11,13-14H,4-10H2,1-3H3,(H,20,21)(H,22,23)/t11-,13-,14+,18+,19+/m0/s1",C[C@H]1CC[C@H]2C(=C1C(=O)O)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.19875937599994,FZMONKRUPXQHKO,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 2783,11372,-1,,,,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,0,6.0 2784,11372,-1,,,,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_1proton2acetonitrile,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,0,6.0 2785,11372,-1,,,,0.0,MS1_match,SZAJWRKZJNIUSA-FXMITRFCSA-N,"InChI=1S/C24H38O2/c1-26-20-7-9-22-18(14-20)5-3-16-12-15-2-4-17-13-19(25)6-8-21(17)23(15)10-11-24(16)22/h2,16-25H,3-14H2,1H3/t16-,17+,18-,19-,20-,21-,22-,23-,24-/m0/s1",CO[C@H]1CC[C@H]2[C@@H](CC[C@H]3CC4=CC[C@@H]5C[C@@H](O)CC[C@@H]5[C@H]4CC[C@@H]32)C1,C24H38O2,pos_1_minus1proton2sodium,358.287180456,SZAJWRKZJNIUSA,Terpenoids,Steroids,Estrane steroids,Pinus taiwanensis,217130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taiwanensis'],6,0,6.0 2786,11371,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33635175,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.845407009124756 2787,11369,-1,,,,0.34949973,ISDB,DAYKSLOBCZJGHS-QHPUVITPSA-N,"InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,15-16,21-24,31H,10-14,17-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O,,424.370516156,DAYKSLOBCZJGHS,Terpenoids,Triterpenoids,Oleanane triterpenoids,Vigna angularis,1065959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna angularis'],3,0,4.397998929023743 2788,11368,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35575226,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.923009037971497 2789,11367,82,Polyketides,Cyclic polyketides,Labdane diterpenoids,0.40087554,ISDB,ZMUBBDGDFMAIMP-UHFFFAOYSA-N,"InChI=1S/C21H38O4/c1-4-5-6-7-10-13-16-20(24-2)18-19(22)15-12-9-8-11-14-17-21(23)25-3/h18H,4-17H2,1-3H3",CCCCCCCCC(=CC(=O)CCCCCCCC(=O)OC)OC,C21H38O4,,354.277009696,ZMUBBDGDFMAIMP,Fatty acids,Fatty esters,Wax monoesters,Hibiscus rosa-sinensis,378513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus rosa-sinensis'],3,0,4.603502154350281 2790,11366,-1,,,,0.6858537,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,0,5.743414878845215 2791,11363,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6290476,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,10.01619029045105 2792,11362,-1,,,,0.52739227,ISDB,GYLCOIJEIMQSGJ-XIRGYHLMSA-N,"InChI=1S/C31H42O5/c1-18-24-19(15-21(33)25(18)35-7)29(4)12-14-31(6)23-17-28(3,26(34)36-8)10-9-27(23,2)11-13-30(31,5)22(29)16-20(24)32/h15-16,23,33H,9-14,17H2,1-8H3/t23-,27-,28-,29+,30-,31+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(OC)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C31H42O5,,494.3032244439999,GYLCOIJEIMQSGJ,Terpenoids,Triterpenoids,Friedelane triterpenoids,Maytenus chubutensis,6092930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus chubutensis'],3,0,5.109569072723389 2793,11361,82,Polyketides,Cyclic polyketides,Labdane diterpenoids,0.21666059,ISDB,MAFFAPOMVRVAEP-KEOOTSPTSA-N,"InChI=1S/C26H48O6/c1-2-3-4-5-6-7-8-9-10-13-21(27)14-11-15-22(28)18-23(29)19-24(30)20-25-16-12-17-26(31)32-25/h12,17,21-25,27-30H,2-11,13-16,18-20H2,1H3/t21-,22-,23-,24-,25-/m0/s1",CCCCCCCCCCC[C@H](O)CCC[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1CC=CC(=O)O1,C26H48O6,,456.345089256,MAFFAPOMVRVAEP,Polyketides,Cyclic polyketides,2-pyrone derivatives,Eupatorium pilosum,1078293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eupatorium'],['Eupatorium pilosum'],3,2,4.866642355918884 2794,11360,82,Polyketides,Cyclic polyketides,Labdane diterpenoids,0.3097757,ISDB,BNYWADFAGBPZJB-VJOMLYSMSA-N,"InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3/b15-14+/t16-,17+,20-,21+/m0/s1",COC(=O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C21H36O3,,336.266445012,BNYWADFAGBPZJB,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,3,7.739102840423584 2795,11359,582,Terpenoids,Sesquiterpenoids,Carbocyclic fatty acids,0.7775655,ISDB,SRELFLQJDOTNLJ-UHFFFAOYSA-N,"InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)",O=C(O)CCCCCCCCCCC1C=CCC1,C16H28O2,,252.208930136,SRELFLQJDOTNLJ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Hydnocarpus pentandrus,6098850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Pangieae'],['Hydnocarpus'],['Hydnocarpus pentandrus'],3,3,7.610261917114258 2796,11359,582,Terpenoids,Sesquiterpenoids,Carbocyclic fatty acids,0.7775655,ISDB,SRELFLQJDOTNLJ-OAHLLOKOSA-N,"InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)/t15-/m1/s1",O=C(O)CCCCCCCCCC[C@@H]1C=CCC1,C16H28O2,,252.208930136,SRELFLQJDOTNLJ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Hydnocarpus kurzii,4730037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Pangieae'],['Hydnocarpus'],['Hydnocarpus kurzii'],3,3,7.610261917114258 2797,11359,582,Terpenoids,Sesquiterpenoids,Carbocyclic fatty acids,0.7775655,ISDB,SRELFLQJDOTNLJ-HNNXBMFYSA-N,"InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)/t15-/m0/s1",O=C(O)CCCCCCCCCC[C@H]1C=CCC1,C16H28O2,,252.208930136,SRELFLQJDOTNLJ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Carpotroche brasiliensis,5763421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Lindackerieae'],['Carpotroche'],['Carpotroche brasiliensis'],3,3,7.610261917114258 2798,11358,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.6904687,ISDB,KMJLGCYDCCCRHH-IICXDKKESA-N,"InChI=1S/C16H26O/c1-10-6-7-11-12(14(11,2)3)13-15(10,4)8-9-16(13,5)17/h11-13,17H,1,6-9H2,2-5H3/t11-,12-,13-,15-,16-/m0/s1",C=C1CC[C@H]2[C@@H]([C@@H]3[C@@](C)(O)CC[C@@]13C)C2(C)C,C16H26O,,234.198365452,KMJLGCYDCCCRHH,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Halocarpus bidwillii,309851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus bidwillii'],3,1,6.2618749141693115 2799,11357,1334,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.38991085,ISDB,MXPXAZNVQUWDFH-NSISKUIASA-N,"InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O4,,330.18310931199994,MXPXAZNVQUWDFH,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.059643387794495 2800,11356,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.29534957,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.681398272514343 2801,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-YOVQKNEVSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus thomsonii,3909565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus thomsonii'],4,3,7.666067600250244 2802,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-YOVQKNEVSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus velutinus,1051539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion velutinum'],4,3,7.666067600250244 2803,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion,3953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Unknown'],4,3,7.666067600250244 2804,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion philippicum,1051527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion philippicum'],4,3,7.666067600250244 2805,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus watsonii,3909274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus watsonii'],4,3,7.666067600250244 2806,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus eriocarpus,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,3,7.666067600250244 2807,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus flexuosus,772625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus flexuosus'],4,3,7.666067600250244 2808,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Byrsonima microphylla,6102017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Malpighiaceae'],['Unknown'],['Byrsonima'],['Byrsonima microphylla'],4,3,7.666067600250244 2809,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion puberum,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,7.666067600250244 2810,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus puberus,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,7.666067600250244 2811,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus hohenackeri,3909495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus hohenackeri'],4,3,7.666067600250244 2812,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion eriocarpum,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,3,7.666067600250244 2813,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia cuzcoina,6092941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia cuzcoina'],4,3,7.666067600250244 2814,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Breynia fruticosa,721777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Breynia'],['Breynia fruticosa'],4,3,7.666067600250244 2815,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus taxodiifolius,772623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus taxodiifolius'],4,3,7.666067600250244 2816,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus sellowianus,425591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus sellowianus'],4,3,7.666067600250244 2817,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia chiapensis,6092929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia chiapensis'],4,3,7.666067600250244 2818,11355,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5415169,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion zeylanicum,1051538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion zeylanicum'],4,3,7.666067600250244 2819,11350,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,WLFYAHQFDJKVSZ-UHFFFAOYSA-N,"InChI=1S/C30H50O3/c1-19(2)22(31)12-18-30(8,33)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-24,31,33H,1,9-18H2,2-8H3",C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC12C,C30H50O3,pos_2MH,458.37599546,WLFYAHQFDJKVSZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2820,11350,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,WLFYAHQFDJKVSZ-UHFFFAOYSA-N,"InChI=1S/C30H50O3/c1-19(2)22(31)12-18-30(8,33)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-24,31,33H,1,9-18H2,2-8H3",C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC12C,C30H50O3,pos_2MH,458.37599546,WLFYAHQFDJKVSZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2821,11350,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,DGWVBOLRGRYBRU-DLRFIJRSSA-N,"InChI=1S/C30H50O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-23,25,31,33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O3,pos_2MH,458.37599546,DGWVBOLRGRYBRU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2822,11347,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.35923842,ISDB,WXUNJHWLNXWETA-LKKCIFMASA-N,"InChI=1S/C36H58O11/c1-18(19(2)38)22(40)16-36(31(44)45)13-12-34(6)20(15-36)21(39)14-25-33(5)10-9-26(32(3,4)24(33)8-11-35(25,34)7)47-30-29(43)28(42)27(41)23(17-37)46-30/h15,18,21-30,37,39-43H,8-14,16-17H2,1-7H3,(H,44,45)/t18-,21+,22+,23+,24-,25+,26-,27+,28-,29+,30-,33-,34+,35+,36-/m0/s1",CC(=O)[C@H](C)[C@H](O)C[C@@]1(C(=O)O)C=C2[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1,C36H58O11,,666.397912676,WXUNJHWLNXWETA,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Elsholtzia bodinieri,6081976.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Elsholtzia'],['Elsholtzia bodinieri'],4,2,6.436953663825989 2823,11344,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1methanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2824,11344,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1methanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2825,11344,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,pos_1_1proton1methanol,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2826,11344,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,pos_1_1proton1methanol,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2827,11343,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40842712,ISDB,LANJPWZPYVPLQZ-SEPQECTCSA-N,"InChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20-,23-,24+,25-,26-,27+,29+,31+,32+/m0/s1",CC(=O)O[C@H]1C(NC(=O)c2ccccc2)=CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]12,C32H46N2O3,,506.350843332,LANJPWZPYVPLQZ,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],4,1,6.133708477020264 2828,11342,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5279504,ISDB,ZIZQHLXOPLXRBJ-AGBLWHONSA-N,"InChI=1S/C30H48O5/c1-16(2)17(3)8-9-18(4)27-25(35-19(5)31)14-22-26-23(33)13-20-12-21(32)10-11-29(20,6)28(26)24(34)15-30(22,27)7/h8-9,13,16-18,21-28,32-34H,10-12,14-15H2,1-7H3/b9-8+/t17-,18+,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O,C30H48O5,,488.350174636,ZIZQHLXOPLXRBJ,Terpenoids,Steroids,Cholestane steroids,Penicillium granulatum,494173.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium granulatum'],1,1,3.6118016242980957 2829,11341,-1,,,,0.3714584,ISDB,FIRNSKBCXJVXEU-UHFFFAOYSA-N,"InChI=1S/C26H49N5O2/c1-4-5-6-7-8-9-10-11-13-17-25(33)31(20-15-12-14-18-30-26(27)28)21-16-19-29-24(32)22-23(2)3/h9-10,22H,4-8,11-21H2,1-3H3,(H,29,32)(H4,27,28,30)",CCCCCCC=CCCCC(=O)N(CCCCCNC(=N)N)CCCNC(=O)C=C(C)C,C26H49N5O2,,463.388625808,FIRNSKBCXJVXEU,Alkaloids,Ornithine alkaloids,Polyamines,Acarnus erithacus,2836660.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Acarnidae'],['Unknown'],['Acarnus'],['Acarnus erithacus'],1,0,2.4858336448669434 2830,11340,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NOLGXQBEFHYZHI-QPBHWVAKSA-N,"InChI=1S/C27H42O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-20H,7-16H2,1-6H3/t17-,18+,19+,20-,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H42O3,pos_1_1proton1methanol,414.313395204,NOLGXQBEFHYZHI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2831,11340,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NOLGXQBEFHYZHI-QPBHWVAKSA-N,"InChI=1S/C27H42O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-20H,7-16H2,1-6H3/t17-,18+,19+,20-,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H42O3,pos_1_1proton1methanol,414.313395204,NOLGXQBEFHYZHI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 2832,11339,347,Terpenoids,Triterpenoids,Cholestane steroids,0.5093898,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,3,7.537559270858765 2833,11338,-1,,,,0.7433228,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,0,6.9732911586761475 2834,11338,-1,,,,0.7433228,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,0,6.9732911586761475 2835,11338,-1,,,,0.7433228,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,6.9732911586761475 2836,11338,-1,,,,0.7433228,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,6.9732911586761475 2837,11338,-1,,,,0.7433228,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,0,6.9732911586761475 2838,11338,-1,,,,0.7433228,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,0,6.9732911586761475 2839,11338,-1,,,,0.7433228,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,0,6.9732911586761475 2840,11337,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6312699,ISDB,NKIVMWHPFMFYBF-UHFFFAOYSA-N,"InChI=1S/C26H38O/c27-26-22-16-21-25(23-26)20-13-10-8-6-4-2-1-3-5-7-9-12-17-24-18-14-11-15-19-24/h11,14-16,18-19,21-23,27H,1-10,12-13,17,20H2",Oc1cccc(CCCCCCCCCCCCCCc2ccccc2)c1,C26H38O,,366.292265836,NKIVMWHPFMFYBF,Polyketides,Aromatic polyketides,Catechols with side chains,Tapirira obtusa,982250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Tapirira'],['Tapirira obtusa'],4,0,6.5250794887542725 2841,11336,2805,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6014741,ISDB,CZKLJNQQXWVVGP-LBPRGKRZSA-N,"InChI=1S/C14H20O/c1-9(2)12-6-4-5-11-8-14(15)10(3)7-13(11)12/h7-9,12,15H,4-6H2,1-3H3/t12-/m0/s1",Cc1cc2c(cc1O)CCC[C@H]2C(C)C,C14H20O,,204.15141526,CZKLJNQQXWVVGP,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca grandiflora,3898467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,7.905896425247192 2842,11335,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.73451895,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9380757808685303 2843,11334,1280,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59819984,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.892799377441406 2844,11328,2395,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.7794833,ISDB,VXXSCSBVVAFHAE-JFINTUIJSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)9-10-21-28(6)12-11-23(31)26(3,4)22(28)17-24(32)30(21,29)8/h9-10,20,22-24,31-32H,11-18H2,1-8H3/t20-,22-,23-,24+,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]3(C)[C@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1,C30H48O2,,440.365430776,VXXSCSBVVAFHAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis indica,129487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis indica'],5,3,9.61793327331543 2845,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-YOVQKNEVSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus thomsonii,3909565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus thomsonii'],4,3,7.722918748855591 2846,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-YOVQKNEVSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus velutinus,1051539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion velutinum'],4,3,7.722918748855591 2847,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion,3953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Unknown'],4,3,7.722918748855591 2848,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion philippicum,1051527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion philippicum'],4,3,7.722918748855591 2849,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus watsonii,3909274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus watsonii'],4,3,7.722918748855591 2850,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-UHFFFAOYSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3",C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus eriocarpus,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,3,7.722918748855591 2851,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus flexuosus,772625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus flexuosus'],4,3,7.722918748855591 2852,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Byrsonima microphylla,6102017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Malpighiaceae'],['Unknown'],['Byrsonima'],['Byrsonima microphylla'],4,3,7.722918748855591 2853,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia chiapensis,6092929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia chiapensis'],4,3,7.722918748855591 2854,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion puberum,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,7.722918748855591 2855,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus puberus,351500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion puberum'],4,3,7.722918748855591 2856,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-MUZFUWECSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O,,422.354866092,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus hohenackeri,3909495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus hohenackeri'],4,3,7.722918748855591 2857,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus sellowianus,425591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus sellowianus'],4,3,7.722918748855591 2858,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Phyllanthus taxodiifolius,772623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus taxodiifolius'],4,3,7.722918748855591 2859,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion eriocarpum,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,3,7.722918748855591 2860,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Breynia fruticosa,721777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Breynia'],['Breynia fruticosa'],4,3,7.722918748855591 2861,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-BHMAJAPKSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Glochidion zeylanicum,1051538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion zeylanicum'],4,3,7.722918748855591 2862,11327,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5557297,ISDB,FWBYBHVDDGVPDF-IAFKSKRFSA-N,"InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21-,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O,,422.3548660919999,FWBYBHVDDGVPDF,Terpenoids,Triterpenoids,Lupane triterpenoids,Monteverdia cuzcoina,6092941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia cuzcoina'],4,3,7.722918748855591 2863,11324,-1,,,,0.0,MS1_match,PWYIITFCWUJCMR-DDZXFPHNSA-N,"InChI=1S/C21H32O4/c1-14(12-20(23)24)7-9-18-15(2)8-10-19-17(13-25-16(3)22)6-5-11-21(18,19)4/h12,17-19H,2,5-11,13H2,1,3-4H3,(H,23,24)/b14-12+/t17-,18+,19+,21-/m1/s1",C=C1CC[C@H]2[C@@H](COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C21H32O4,pos_2MHCH3CN,348.23005950399994,PWYIITFCWUJCMR,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 2864,11323,-1,,,,0.5588796,ISDB,,,,,,,BXWFIOSUQIHQLI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.235518455505371 2865,11322,-1,,,,0.670206,ISDB,POIFFJRCDYNIQD-VLALRVFUSA-N,"InChI=1S/C30H42O6/c1-7-18(4)27(33)36-26-23-25(24(32)19(5)21-11-12-22(31)29(21,26)6)35-28(34)30(23)15-13-20(14-16-30)10-8-9-17(2)3/h7,9,11-13,19,21,23-26,28,32,34H,8,10,14-16H2,1-6H3/b18-7-/t19-,21-,23-,24+,25-,26-,28+,29-,30-/m0/s1",C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](O[C@@H](O)[C@]23CC=C(CCC=C(C)C)CC3)[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,C30H42O6,,498.298139064,POIFFJRCDYNIQD,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Tetraneuris ivesiana,3900034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Tetraneuris'],['Tetraneuris ivesiana'],3,0,5.680824041366577 2866,11319,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-YDZYAZLNSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_1proton2acetonitrile,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,2,7.0 2867,11319,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-WCBDFPTQSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_1proton2acetonitrile,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,2,7.0 2868,11318,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5431587,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.672634840011597 2869,11317,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4660848,ISDB,,,,,,,BXCCZKVECWBUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8643392324447632 2870,11316,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 2871,11313,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4520449,ISDB,HWLIXTVDAQUXHJ-LWOCCOLGSA-N,"InChI=1S/C42H60O13/c1-21(43)27-15-18-42-40(27,5)36(46)34(53-37(47)24-11-9-8-10-12-24)35-39(4)16-14-26(19-25(39)13-17-41(35,42)55-42)52-29-20-28(48-6)32(23(3)50-29)54-38-31(45)33(49-7)30(44)22(2)51-38/h8-12,22-23,25-36,38,44-46H,13-20H2,1-7H3/t22-,23-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34+,35-,36-,38+,39+,40+,41+,42-/m1/s1",CO[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]56O[C@@]57CC[C@H](C(C)=O)[C@@]7(C)[C@H](O)[C@@H](OC(=O)c5ccccc5)[C@H]46)C3)C[C@H]2OC)O[C@H](C)[C@H]1O,C42H60O13,,772.40339198,HWLIXTVDAQUXHJ,Terpenoids,Steroids,Pregnane steroids,Marsdenia tenacissima,872597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Marsdenia'],['Marsdenia tenacissima'],4,1,6.308179616928101 2872,11309,498,Fatty acids,Fatty acyls,Hydrocarbons,0.5575434,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora monticola,5656295.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora monticola'],1,3,4.730173587799072 2873,11309,498,Fatty acids,Fatty acyls,Hydrocarbons,0.5575434,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora obscura,5407375.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora obscura'],1,3,4.730173587799072 2874,11309,498,Fatty acids,Fatty acyls,Hydrocarbons,0.5575434,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora rosacea,5656304.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora rosacea'],1,3,4.730173587799072 2875,11309,498,Fatty acids,Fatty acyls,Hydrocarbons,0.5575434,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora sonderi,5988306.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora sonderi'],1,3,4.730173587799072 2876,11308,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.76163393,ISDB,ZSZRRSWODAXOPL-VMLRXSKPSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15-,16-,17+,18-,19-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia guacharaca,7051684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Espeletiopsis'],['Espeletiopsis guacharaca'],3,3,7.5465357303619385 2877,11308,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.76163393,ISDB,ZSZRRSWODAXOPL-VMLRXSKPSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15-,16-,17+,18-,19-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletiopsis guacharaca,7051684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Espeletiopsis'],['Espeletiopsis guacharaca'],3,3,7.5465357303619385 2878,11308,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.76163393,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia tamana,7051700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus tamanus'],3,3,7.5465357303619385 2879,11308,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.76163393,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Libanothamnus tamanus,7051700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus tamanus'],3,3,7.5465357303619385 2880,11308,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.76163393,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia wurdackii,7606576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Carramboa'],['Carramboa wurdackii'],3,3,7.5465357303619385 2881,11308,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.76163393,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Carramboa wurdackii,7606576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Carramboa'],['Carramboa wurdackii'],3,3,7.5465357303619385 2882,11308,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.76163393,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Libanothamnus banksiifolius,7606707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus banksiifolius'],3,3,7.5465357303619385 2883,11307,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7908982,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.66359281539917 2884,11305,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.33476314,ISDB,ZDWLHNHYDOEVLT-DYLMUVFLSA-N,"InChI=1S/C39H54O4/c1-24-16-21-39(34(42)43)23-22-37(6)29(33(39)25(24)2)13-15-32-36(5)19-17-28(35(3,4)31(36)18-20-38(32,37)7)30(41)14-10-26-8-11-27(40)12-9-26/h8-14,24-25,28,31-33,40H,15-23H2,1-7H3,(H,42,43)/b14-10-/t24-,25+,28-,31+,32-,33-,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](C(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O4,,586.402210208,ZDWLHNHYDOEVLT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Mimusops elengi,81554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sapotaceae'],['Unknown'],['Mimusops'],['Mimusops elengi'],3,3,5.8390525579452515 2885,11298,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.3940346,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.576138377189636 2886,11298,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.3940346,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.576138377189636 2887,11296,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.54930806,ISDB,MAIRBOUIUZTTQK-UHFFFAOYSA-N,"InChI=1S/C39H62O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-28-32(40)29-34(41)37(31)38-33(39(43)36(44-3)30-35(38)42)27-25-23-21-19-17-15-13-11-9-7-5-2/h28-30,40-41H,4-27H2,1-3H3",CCCCCCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O,C39H62O5,,610.459725084,MAIRBOUIUZTTQK,Polyketides,Aromatic polyketides,Catechols with side chains,Ardisia brevicaulis,223967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia brevicaulis'],4,0,6.197232246398926 2888,11295,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40200847,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.108033895492554 2889,11294,-1,,,,0.2995544,ISDB,UMLDOSNQGZWGBQ-AHQCWXFASA-N,"InChI=1S/C30H42O4/c1-7-22(2)9-15-26-29(4)19-8-18-28(3,25(29)17-20-30(26,5)32)21-34-27(31)16-12-23-10-13-24(33-6)14-11-23/h7,10-14,16,25-26,32H,1-2,8-9,15,17-21H2,3-6H3/b16-12+/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O,C30H42O4,,466.30830982399993,UMLDOSNQGZWGBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,8.198217630386353 2890,11292,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31961593,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.77846372127533 2891,11292,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31961593,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.77846372127533 2892,11290,-1,,,,0.5284935,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.113974094390869 2893,11289,57,Terpenoids,Steroids,Cardenolides,0.39029178,ISDB,,,,,,,QRNAHLWLYPKGPN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5611671209335327 2894,11287,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.23099387,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.423975467681885 2895,11286,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6753254,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.201301574707031 2896,11286,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6753254,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.201301574707031 2897,11285,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1proton1ethylamine,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2898,11285,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1proton1ethylamine,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2899,11283,805,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,GKSMIYCLWJISJQ-IOIGEALESA-N,"InChI=1S/C35H56O8/c1-30(2)14-16-35(29(40)41)17-15-33(6)19(24(35)27(30)39)8-9-22-32(5)12-11-23(31(3,4)21(32)10-13-34(22,33)7)43-28-26(38)25(37)20(36)18-42-28/h8,20-28,36-39H,9-18H2,1-7H3,(H,40,41)/t20-,21+,22+,23-,24+,25-,26+,27-,28-,32-,33+,34+,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C35H56O8,pos_1_minus1proton1magnesium,604.397518752,GKSMIYCLWJISJQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 2900,11280,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.547898,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.69159197807312 2901,11278,1811,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.62745255,ISDB,WUENWZUJMIZJPA-UBTCDGAASA-N,"InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1",C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@H]12)C3,C20H30O3,,318.21949482,WUENWZUJMIZJPA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,3,9.009810209274292 2902,11278,1811,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.62745255,ISDB,WUENWZUJMIZJPA-UBTCDGAASA-N,"InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1",C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@H]12)C3,C20H30O3,,318.21949482,WUENWZUJMIZJPA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,9.009810209274292 2903,11277,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.63180137,ISDB,,,,,,,KHOXIGZKRZJQTF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.527205467224121 2904,11274,214,Terpenoids,Diterpenoids,Cassane diterpenoids,0.4418448,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.26737916469574 2905,11274,214,Terpenoids,Diterpenoids,Cassane diterpenoids,0.4418448,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.26737916469574 2906,11273,363,Fatty acids,Fatty amides,Primary amides,0.7259019,ISDB,KEKYDAUAAYJDRA-UHFFFAOYSA-N,"InChI=1S/C23H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-21-20-22(2)3/h8-9,16-19,22H,4-7,10-15,20-21H2,1-3H3,(H,24,25)",CCCCCC=CCCCCCCC=CC=CC(=O)NCCC(C)C,C23H41NO,,347.318814932,KEKYDAUAAYJDRA,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,2,7.903607606887817 2907,11270,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-KMEFBPKPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2MH,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 2908,11270,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-KMEFBPKPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2MH,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 2909,11262,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,SAIOSKKYQVZFSU-RLOZBYJMSA-N,"InChI=1S/C31H52O12/c1-16(10-12-32)5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-41-29-27(39)25(37)24(36)20(43-29)14-40-28-26(38)23(35)19(13-33)42-28/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+/t18-,19+,20-,21+,22-,23+,24-,25+,26-,27-,28-,29-,30+,31-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C31H52O12,pos_1_1proton1ethylamine,616.345877104,SAIOSKKYQVZFSU,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 2910,11262,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,SAIOSKKYQVZFSU-RLOZBYJMSA-N,"InChI=1S/C31H52O12/c1-16(10-12-32)5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-41-29-27(39)25(37)24(36)20(43-29)14-40-28-26(38)23(35)19(13-33)42-28/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+/t18-,19+,20-,21+,22-,23+,24-,25+,26-,27-,28-,29-,30+,31-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C31H52O12,pos_1_1proton1ethylamine,616.345877104,SAIOSKKYQVZFSU,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 2911,11261,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5960467,ISDB,IATIAUOAJIFOSI-XVTUODIHSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@H]3C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@@H]1[C@@H]2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,1,6.884186744689941 2912,11261,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5960467,ISDB,IATIAUOAJIFOSI-UHFFFAOYSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3",CC1CCC2(OC1)OC1CC3(C)C(CCC4C3CCC3CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC34C)C1C2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus oligoclonos,200961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus oligoclonos'],4,1,6.884186744689941 2913,11261,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5960467,ISDB,IATIAUOAJIFOSI-XVTUODIHSA-N,"InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@H]3C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@@H]1[C@@H]2C,C39H64O13,,740.434692108,IATIAUOAJIFOSI,Terpenoids,Steroids,Spirostane steroids,Asparagus racemosus,724323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus racemosus'],4,1,6.884186744689941 2914,11258,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.581388,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.325551986694336 2915,11257,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6899189,ISDB,GYFNYTZQAFYJEY-QTUDGBRCSA-N,"InChI=1S/C35H40O10/c1-13(12-36)7-24(37)44-35(42)21-10-20(21)32(4)22-9-17-16-8-19(16)33(5)26(17)27(25(28(38)29(33)39)15(3)30(40)43-6)34(22)18(11-23(32)35)14(2)31(41)45-34/h7,16,19-23,27,29,36,39,42H,8-12H2,1-6H3/b13-7+,25-15-/t16-,19-,20-,21+,22+,23-,27+,29+,32-,33+,34?,35-/m1/s1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4C5(OC(=O)C(C)=C5C[C@H]5[C@](O)(OC(=O)/C=C(\C)CO)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,C35H40O10,,620.26214748,GYFNYTZQAFYJEY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,2,7.7596755027771 2916,11256,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5216502,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.58660078048706 2917,11256,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5216502,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.58660078048706 2918,11253,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5609857,ISDB,QLPDNWKGCHCDMK-UHFFFAOYSA-N,"InChI=1S/C32H44O12/c1-17(35)44-31-11-7-22-21(6-9-29(2)20(8-12-32(22,29)40)18-3-4-24(36)41-15-18)30(31,16-34)10-5-19(13-31)42-28-27(39)26(38)25(37)23(14-33)43-28/h3-4,15-16,19-23,25-28,33,37-40H,5-14H2,1-2H3",CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(OC1OC(CO)C(O)C(O)C1O)C2,C32H44O12,,620.283276848,QLPDNWKGCHCDMK,Terpenoids,Steroids,Bufadienolides,Kalanchoe ceratophylla,5729912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe ceratophylla'],3,1,5.743942737579346 2919,11253,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.5609857,ISDB,QLPDNWKGCHCDMK-KXPUILCXSA-N,"InChI=1S/C32H44O12/c1-17(35)44-31-11-7-22-21(6-9-29(2)20(8-12-32(22,29)40)18-3-4-24(36)41-15-18)30(31,16-34)10-5-19(13-31)42-28-27(39)26(38)25(37)23(14-33)43-28/h3-4,15-16,19-23,25-28,33,37-40H,5-14H2,1-2H3/t19-,20+,21-,22+,23+,25+,26-,27+,28+,29+,30-,31-,32-/m0/s1",CC(=O)O[C@]12CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]34O)[C@@]1(C=O)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2,C32H44O12,,620.283276848,QLPDNWKGCHCDMK,Terpenoids,Steroids,Bufadienolides,Kalanchoe laciniata,3943257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe laciniata'],3,1,5.743942737579346 2920,11250,645,Terpenoids,Steroids,Ergostane steroids,0.34431174,ISDB,RZWFBNOFUAHADD-VTYRCZOESA-N,"InChI=1S/C34H50O6Si/c1-19-16-26(39-30(37)22(19)18-38-41(8,9)31(3,4)5)20(2)23-10-11-24-21-17-29-34(40-29)28(36)13-12-27(35)33(34,7)25(21)14-15-32(23,24)6/h12-13,20-21,23-26,29H,10-11,14-18H2,1-9H3/t20-,21-,23+,24-,25-,26+,29+,32+,33-,34+/m0/s1",CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H50O6Si,,582.3376658499999,RZWFBNOFUAHADD,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],4,3,6.877246975898743 2921,11246,2560,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,0.5092574,ISDB,FHEJLVSXCHPHAN-FPLPWBNLSA-N,"InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(28)21(26)18(2)22(27)24(20)29-19(3)25/h7-8,26H,4-6,9-17H2,1-3H3/b8-7-",CCCC/C=C\CCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(O)C1=O,C24H36O5,,404.256274252,FHEJLVSXCHPHAN,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],3,3,6.537029504776001 2922,11244,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6997585,ISDB,GYFNYTZQAFYJEY-QTUDGBRCSA-N,"InChI=1S/C35H40O10/c1-13(12-36)7-24(37)44-35(42)21-10-20(21)32(4)22-9-17-16-8-19(16)33(5)26(17)27(25(28(38)29(33)39)15(3)30(40)43-6)34(22)18(11-23(32)35)14(2)31(41)45-34/h7,16,19-23,27,29,36,39,42H,8-12H2,1-6H3/b13-7+,25-15-/t16-,19-,20-,21+,22+,23-,27+,29+,32-,33+,34?,35-/m1/s1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4C5(OC(=O)C(C)=C5C[C@H]5[C@](O)(OC(=O)/C=C(\C)CO)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,C35H40O10,,620.26214748,GYFNYTZQAFYJEY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,2,7.799034118652344 2923,11242,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.6829409,ISDB,GYFNYTZQAFYJEY-QTUDGBRCSA-N,"InChI=1S/C35H40O10/c1-13(12-36)7-24(37)44-35(42)21-10-20(21)32(4)22-9-17-16-8-19(16)33(5)26(17)27(25(28(38)29(33)39)15(3)30(40)43-6)34(22)18(11-23(32)35)14(2)31(41)45-34/h7,16,19-23,27,29,36,39,42H,8-12H2,1-6H3/b13-7+,25-15-/t16-,19-,20-,21+,22+,23-,27+,29+,32-,33+,34?,35-/m1/s1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4C5(OC(=O)C(C)=C5C[C@H]5[C@](O)(OC(=O)/C=C(\C)CO)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,C35H40O10,,620.26214748,GYFNYTZQAFYJEY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus fortunei,569911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus fortunei'],4,2,7.731763601303101 2924,11240,-1,,,,0.32058266,ISDB,OZXHGDBEMSKSQT-JFJSVVLASA-N,"InChI=1S/C29H40O2/c1-25(2)17-19-18(16-24(25)31)10-14-28(6)20(19)8-9-22-27(5)13-12-23(30)26(3,4)21(27)11-15-29(22,28)7/h8-9,16,21-22H,10-15,17H2,1-7H3/t21-,22+,27-,28+,29+/m0/s1",CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CCC2=CC1=O,C29H40O2,,420.30283052,OZXHGDBEMSKSQT,Terpenoids,Triterpenoids,Fusidane triterpenoids,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],3,0,4.282330632209778 2925,11235,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.55943024,ISDB,QLPDNWKGCHCDMK-UHFFFAOYSA-N,"InChI=1S/C32H44O12/c1-17(35)44-31-11-7-22-21(6-9-29(2)20(8-12-32(22,29)40)18-3-4-24(36)41-15-18)30(31,16-34)10-5-19(13-31)42-28-27(39)26(38)25(37)23(14-33)43-28/h3-4,15-16,19-23,25-28,33,37-40H,5-14H2,1-2H3",CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(OC1OC(CO)C(O)C(O)C1O)C2,C32H44O12,,620.283276848,QLPDNWKGCHCDMK,Terpenoids,Steroids,Bufadienolides,Kalanchoe ceratophylla,5729912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe ceratophylla'],3,1,5.737720966339111 2926,11235,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.55943024,ISDB,QLPDNWKGCHCDMK-KXPUILCXSA-N,"InChI=1S/C32H44O12/c1-17(35)44-31-11-7-22-21(6-9-29(2)20(8-12-32(22,29)40)18-3-4-24(36)41-15-18)30(31,16-34)10-5-19(13-31)42-28-27(39)26(38)25(37)23(14-33)43-28/h3-4,15-16,19-23,25-28,33,37-40H,5-14H2,1-2H3/t19-,20+,21-,22+,23+,25+,26-,27+,28+,29+,30-,31-,32-/m0/s1",CC(=O)O[C@]12CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]34O)[C@@]1(C=O)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2,C32H44O12,,620.283276848,QLPDNWKGCHCDMK,Terpenoids,Steroids,Bufadienolides,Kalanchoe laciniata,3943257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe laciniata'],3,1,5.737720966339111 2927,11234,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45866627,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.334665060043335 2928,11232,1700,Terpenoids,Diterpenoids,Daphnane diterpenoids,0.7647641,ISDB,AOXOPFGLBGVVAA-HMJGELIXSA-N,"InChI=1S/C34H40O10/c1-18(2)31-16-20(4)33-23-15-19(3)26(41-28(37)21-11-7-5-8-12-21)32(23,40)29(38)30(39,17-35)25(36)24(33)27(31)42-34(43-31,44-33)22-13-9-6-10-14-22/h5-14,19-20,23-27,29,35-36,38-40H,1,15-17H2,2-4H3/t19-,20+,23+,24-,25-,26-,27+,29+,30+,31+,32+,33-,34+/m0/s1",C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](c5ccccc5)(O[C@@H]1[C@@H]3[C@H](O)[C@](O)(CO)[C@@H](O)[C@@]1(O)[C@H]4C[C@H](C)[C@@H]1OC(=O)c1ccccc1)O2,C34H40O10,,608.26214748,AOXOPFGLBGVVAA,Terpenoids,Diterpenoids,Daphnane diterpenoids,Daphne genkwa,5516227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphne'],['Daphne genkwa'],3,3,7.559056282043457 2929,11230,363,Fatty acids,Fatty amides,Primary amides,0.63051224,ISDB,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",CC(=O)NCCCCCCCCCCCCC(C)C,C17H35NO,,269.27186474,AMLDBWWQKYLAHJ,Fatty acids,Fatty amides,N-acyl amines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,7.5220489501953125 2930,11224,1710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4429787,ISDB,WSKGRAGZAQRSED-UFYCRDLUSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.271914839744568 2931,11224,1710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4429787,ISDB,WSKGRAGZAQRSED-UFYCRDLUSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.271914839744568 2932,11224,1710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4429787,ISDB,WSKGRAGZAQRSED-UFYCRDLUSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.271914839744568 2933,11222,-1,,,,0.49730095,ISDB,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",CC(=O)NCCCCCCCCCCCCC(C)C,C17H35NO,,269.27186474,AMLDBWWQKYLAHJ,Fatty acids,Fatty amides,N-acyl amines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,5.9892038106918335 2934,11221,363,Fatty acids,Fatty amides,Primary amides,0.626769,ISDB,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",CC(=O)NCCCCCCCCCCCCC(C)C,C17H35NO,,269.27186474,AMLDBWWQKYLAHJ,Fatty acids,Fatty amides,N-acyl amines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,7.507076025009155 2935,11218,-1,,,,0.5777371,ISDB,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",CC(=O)NCCCCCCCCCCCCC(C)C,C17H35NO,,269.27186474,AMLDBWWQKYLAHJ,Fatty acids,Fatty amides,N-acyl amines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],3,0,5.310948371887207 2936,11217,-1,,,,0.51203805,ISDB,FMIMFCRXYXVFTA-FUAOEXFOSA-N,"InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O3,,454.344695332,FMIMFCRXYXVFTA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,0,9.048152208328247 2937,11215,-1,,,,0.41496825,ISDB,MYQAIYGVAHDZRD-JUIQTESCSA-N,"InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,19-21,23,25,27,30H,7,12,14-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H44O,,408.339216028,MYQAIYGVAHDZRD,Terpenoids,Steroids,Ergostane steroids,Actinidia chinensis var. deliciosa,279986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia deliciosa'],4,0,5.659873008728027 2938,11214,-1,,,,0.5910433,ISDB,DBCAVZSSFGIHQZ-YLAYQGCQSA-N,"InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1",CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,DBCAVZSSFGIHQZ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],7,0,9.364173173904419 2939,11213,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5333832,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.633532762527466 2940,11212,2772,Terpenoids,Triterpenoids,Serratane triterpenoids,0.5782214,ISDB,ASUNVHRUJYSWCX-AXDYEKDHSA-N,"InChI=1S/C31H50O3/c1-25(2)20-9-14-27(5)19-30-17-10-21-26(3,4)24(33-8)13-16-29(21,7)31(30,34-30)18-11-22(27)28(20,6)15-12-23(25)32/h20-22,24H,9-19H2,1-8H3/t20-,21+,22-,24+,27+,28+,29+,30-,31-/m1/s1",CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@]32O4)C1(C)C,C31H50O3,,470.37599546,ASUNVHRUJYSWCX,Terpenoids,Triterpenoids,Serratane triterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,9.812885522842407 2941,11211,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.2771318,ISDB,,,,,,,AUMUFRVATJIVCB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1085271835327148 2942,11209,1669,Terpenoids,Apocarotenoids,Megastigmanes,0.28754076,ISDB,NURSGIAVBMONQM-SUAJRYRMSA-N,"InChI=1S/C24H44O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h11-23,25-31H,5-10H2,1-4H3/t11-,12-,13+,14+,15+,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@H]1CC[C@@H](C)O,C24H44O11,,508.28836222799976,NURSGIAVBMONQM,Terpenoids,Apocarotenoids,Megastigmanes,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],4,3,6.650163054466248 2943,11209,1669,Terpenoids,Apocarotenoids,Megastigmanes,0.28754076,ISDB,NURSGIAVBMONQM-QYVZUZEOSA-N,"InChI=1S/C24H44O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h11-23,25-31H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@H]1CC[C@@H](C)O,C24H44O11,,508.288362228,NURSGIAVBMONQM,Terpenoids,Apocarotenoids,Megastigmanes,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],4,3,6.650163054466248 2944,11209,1669,Terpenoids,Apocarotenoids,Megastigmanes,0.28754076,ISDB,NURSGIAVBMONQM-QYVZUZEOSA-N,"InChI=1S/C24H44O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h11-23,25-31H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@H]1CC[C@@H](C)O,C24H44O11,,508.288362228,NURSGIAVBMONQM,Terpenoids,Apocarotenoids,Megastigmanes,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],4,3,6.650163054466248 2945,11207,3447,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QIBTYQFSZFGWCS-YETGDIJESA-N,"InChI=1S/C33H36O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-2,5-9,12-16,24,29,31-34,36-40,42H,3-4,10-11,17-18H2/b14-7+/t24-,29+,31-,32+,33-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H36O12,pos_3_3proton,624.220676592,QIBTYQFSZFGWCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 2946,11206,1052,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.59403664,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.876146554946899 2947,11205,1258,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 2948,11203,3475,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5558213,ISDB,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.72328519821167 2949,11200,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.733146,ISDB,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,2,8.932584047317505 2950,11200,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.733146,ISDB,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,2,8.932584047317505 2951,11199,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.31184855,ISDB,,,,,,,OUZHSDVUXDENFF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2473942041397095 2952,11197,-1,,,,0.37134033,ISDB,,,,,,,QJFKUMZUKRAOFV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4853613376617432 2953,11194,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_1proton,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,1,6.5 2954,11194,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IXVMHGVQKLDRKH-VRESXRICSA-N,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1",CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C,C28H48O6,pos_1_1proton,480.345089256,IXVMHGVQKLDRKH,Terpenoids,Steroids,Ergostane steroids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,1,6.5 2955,11193,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4095895,ISDB,BCQDLHHHLROFBT-POUSAUBHSA-N,"InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)25-23(28)20-21-24(29)26(25)30/h6-7,24,29-30H,2-5,8-21H2,1H3/b7-6-/t24-/m0/s1",CCCCC/C=C\CCCCCCCCCCCCC(=O)C1=C(O)[C@@H](O)CCC1=O,C26H44O4,,420.32395988799993,BCQDLHHHLROFBT,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Peperomia humilis,3869108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia humilis'],4,0,5.638357996940613 2956,11193,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4095895,ISDB,BCQDLHHHLROFBT-POUSAUBHSA-N,"InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)25-23(28)20-21-24(29)26(25)30/h6-7,24,29-30H,2-5,8-21H2,1H3/b7-6-/t24-/m0/s1",CCCCC/C=C\CCCCCCCCCCCCC(=O)C1=C(O)[C@@H](O)CCC1=O,C26H44O4,,420.32395988799993,BCQDLHHHLROFBT,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Peperomia leptostachya,600420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia leptostachya'],4,0,5.638357996940613 2957,11192,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.6588027,ISDB,OEWYCDKCYLIWJV-UHFFFAOYSA-N,"InChI=1S/C26H42O3/c1-16-6-11-26(28-15-16)14-22-23(29-26)13-21-19-5-4-17-12-18(27)7-9-24(17,2)20(19)8-10-25(21,22)3/h16-23,27H,4-15H2,1-3H3",CC1CCC2(CC3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)O2)OC1,C26H42O3,,402.313395204,OEWYCDKCYLIWJV,Terpenoids,Steroids,Spirostane steroids,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],4,1,7.135210752487183 2958,11190,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44021845,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.260873794555664 2959,11190,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44021845,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.260873794555664 2960,11190,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44021845,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.260873794555664 2961,11188,2718,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5211714,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.584685564041138 2962,11188,2718,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5211714,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.584685564041138 2963,11187,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.7287802,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],3,3,7.415120840072632 2964,11184,766,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1proton1ethylamine,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2965,11184,766,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1proton1ethylamine,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 2966,11183,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43039846,ISDB,BBPXZLJCPUPNGH-UHFFFAOYSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3",CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies grandis,343179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies grandis'],6,3,9.221593856811523 2967,11183,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43039846,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.221593856811523 2968,11182,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5768235,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.307293891906738 2969,11182,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5768235,ISDB,XSAHNTUFQBWEMI-PUNDARRNSA-N,"InChI=1S/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C,C38H58O11,,690.397912676,XSAHNTUFQBWEMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,2,7.307293891906738 2970,11181,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.5123753,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,2,10.049501180648804 2971,11180,957,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4234307,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],3,3,6.19372284412384 2972,11179,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.81705934,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.768237352371216 2973,11178,371,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_2MNa,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2974,11177,-1,,,,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1proton1ethylamine,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 2975,11176,2762,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.26873493,ISDB,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,9.574939727783203 2976,11175,-1,,,,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1sodium,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 2977,11174,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.23329552,ISDB,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.933182060718536 2978,11173,-1,,,,0.61270064,ISDB,NKKMPIXWEPUSCG-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h7H,2-6H2,1H3",CCCC(=O)CCCC=O,C8H14O2,,142.099379688,NKKMPIXWEPUSCG,Fatty acids,Fatty acyls,Fatty aldehydes,Sarracenia flava,639946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sarraceniaceae'],['Unknown'],['Sarracenia'],['Sarracenia flava'],4,0,6.450802564620972 2979,11172,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43886423,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.255456924438477 2980,11171,103,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.24175727,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,3.967029094696045 2981,11169,335,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 2982,11168,103,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.23638327,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,3.9455330967903137 2983,11166,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5260584,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.604233503341675 2984,11166,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5260584,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.604233503341675 2985,11165,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.556592,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,11.226367950439453 2986,11164,-1,,,,0.0,MS1_match,OQSJKSVZJJTGQR-MKHPODSRSA-N,"InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1",C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12,C30H42O3,pos_1_1proton1ethylamine,450.313395204,OQSJKSVZJJTGQR,Terpenoids,Diterpenoids,Cembrane diterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,0,7.0 2987,11163,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9221943,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.188777208328247 2988,11163,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9221943,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.188777208328247 2989,11162,45,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.5022776,ISDB,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.509110450744629 2990,11161,-1,,,,0.65951437,ISDB,XEWGBGIXCMXJPI-KEGXSBDUSA-N,"InChI=1S/C20H32O2/c1-5-18(2)10-7-15-14(12-18)11-16(22)17-19(3,13-21)8-6-9-20(15,17)4/h5,16-17,21-22H,1,6-13H2,2-4H3/t16-,17?,18-,19-,20+/m0/s1",C=C[C@@]1(C)CCC2=C(C[C@H](O)C3[C@](C)(CO)CCC[C@]23C)C1,C20H32O2,,304.240230264,XEWGBGIXCMXJPI,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Tetraclinis articulata,194278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Tetraclinis'],['Tetraclinis articulata'],5,0,7.638057470321655 2991,11160,-1,,,,0.8338985,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.335593938827515 2992,11159,959,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,pos_2MH,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 2993,11159,959,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,pos_2MH,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,7.5 2994,11159,959,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,pos_2MH,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 2995,11157,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.7259979,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],3,3,7.40399169921875 2996,11155,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.28678972,ISDB,RIXNFYQZWDGQAE-DFHVBEEKSA-N,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O4,,498.37091008,RIXNFYQZWDGQAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,10.147158861160278 2997,11154,-1,,,,0.9417717,ISDB,ZWUFSCXXMINYCW-DCQLVONUSA-N,"InChI=1S/C25H42N2O7/c1-6-27-10-22(11-31-2)13(28)7-14(32-3)25-12-8-24(30)15(33-4)9-23(26,16(12)21(24)29)17(20(25)27)18(34-5)19(22)25/h12-21,28-30H,6-11,26H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+,25+/m1/s1",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](N)([C@H]5[C@H]6O)[C@@H]([C@H](OC)[C@H]23)[C@@H]14,C25H42N2O7,,482.2992016839999,ZWUFSCXXMINYCW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],3,0,6.767086744308472 2998,11153,109,Fatty acids,Fatty amides,Primary amides,0.72417533,ISDB,RVDPDXRDNDUJHE-UHFFFAOYSA-N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20)",CCCCCCCCCC=CCCCCCCC(N)=O,C18H35NO,,281.27186474,RVDPDXRDNDUJHE,Fatty acids,Fatty amides,Primary amides,Crinum latifolium,118200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum latifolium'],4,3,8.396701335906982 2999,11152,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4936211,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.47448444366455 3000,11152,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4936211,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.47448444366455 3001,11152,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4936211,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.47448444366455 3002,11152,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4936211,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.47448444366455 3003,11152,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4936211,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.47448444366455 3004,11148,-1,,,,0.6443908,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,0,6.577563285827637 3005,11148,-1,,,,0.6443908,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,0,6.577563285827637 3006,11148,-1,,,,0.6443908,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,0,6.577563285827637 3007,11148,-1,,,,0.6443908,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.577563285827637 3008,11148,-1,,,,0.6443908,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,0,6.577563285827637 3009,11148,-1,,,,0.6443908,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,0,6.577563285827637 3010,11148,-1,,,,0.6443908,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,0,6.577563285827637 3011,11147,45,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.527349,ISDB,XRHPKGGPYDCYHK-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-13-6-8-16-15(12-14(13)2)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12,14,16-17H,5,7-11H2,1-4H3,(H,21,22)",CC1=CCC2C(=CC1C)CCC1C(C)(C(=O)O)CCCC21C,C20H30O2,,302.2245802,XRHPKGGPYDCYHK,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.609395980834961 3012,11145,-1,,,,0.5279045,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.111618041992188 3013,11145,-1,,,,0.5279045,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.111618041992188 3014,11143,57,Terpenoids,Steroids,Cardenolides,0.37016845,ISDB,,,,,,,JNZAQTXAJXSXHP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4806737899780273 3015,11142,994,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,SAIOSKKYQVZFSU-RLOZBYJMSA-N,"InChI=1S/C31H52O12/c1-16(10-12-32)5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-41-29-27(39)25(37)24(36)20(43-29)14-40-28-26(38)23(35)19(13-33)42-28/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+/t18-,19+,20-,21+,22-,23+,24-,25+,26-,27-,28-,29-,30+,31-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C31H52O12,pos_1_1proton1ethylamine,616.345877104,SAIOSKKYQVZFSU,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,1,6.5 3016,11142,994,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,SAIOSKKYQVZFSU-RLOZBYJMSA-N,"InChI=1S/C31H52O12/c1-16(10-12-32)5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-41-29-27(39)25(37)24(36)20(43-29)14-40-28-26(38)23(35)19(13-33)42-28/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+/t18-,19+,20-,21+,22-,23+,24-,25+,26-,27-,28-,29-,30+,31-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C31H52O12,pos_1_1proton1ethylamine,616.345877104,SAIOSKKYQVZFSU,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,1,6.5 3017,11141,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3018,11139,103,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.23813385,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,3.952535390853882 3019,11137,-1,,,,0.42362228,ISDB,WTFVTPDZPCKVCO-FPSIIMKOSA-N,"InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1",C/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,C24H38N4O4,,446.289305696,WTFVTPDZPCKVCO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Aspergillus sclerotiorum,932281.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus sclerotiorum'],1,0,2.6944891214370728 3020,11136,-1,,,,0.6009395,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,6.4037580490112305 3021,11135,-1,,,,0.6563378,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,0,6.625351190567017 3022,11135,-1,,,,0.6563378,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,0,6.625351190567017 3023,11135,-1,,,,0.6563378,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,0,6.625351190567017 3024,11135,-1,,,,0.6563378,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.625351190567017 3025,11135,-1,,,,0.6563378,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,0,6.625351190567017 3026,11135,-1,,,,0.6563378,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,0,6.625351190567017 3027,11135,-1,,,,0.6563378,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,0,6.625351190567017 3028,11134,216,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.576202,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.804807901382446 3029,11133,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54888195,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.695527791976929 3030,11133,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54888195,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.695527791976929 3031,11132,-1,,,,0.75969774,ISDB,,,,,,,UZOMFIAYVCDIHJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0387909412384033 3032,11131,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.81859934,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.274397373199463 3033,11131,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.81859934,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.274397373199463 3034,11130,-1,,,,0.31465906,ISDB,RUVUHIUYGJBLGI-XJZKHKOHSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O,,412.370516156,RUVUHIUYGJBLGI,Terpenoids,Steroids,Stigmastane steroids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.258636236190796 3035,11130,-1,,,,0.31465906,ISDB,RUVUHIUYGJBLGI-UHFFFAOYSA-N,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3",CCC(CCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C,C29H48O,,412.370516156,RUVUHIUYGJBLGI,Terpenoids,Steroids,Stigmastane steroids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.258636236190796 3036,11128,-1,,,,0.6807092,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.72283673286438 3037,11127,-1,,,,0.39048705,ISDB,DYJIJIUSBPCLMI-DCMKLHORSA-N,"InChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22?,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1",CC(CC[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C35H63NO3,,545.480794876,DYJIJIUSBPCLMI,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,0,1.5619481801986694 3038,11127,-1,,,,0.39048705,ISDB,DYJIJIUSBPCLMI-DCMKLHORSA-N,"InChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22?,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1",CC(CC[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C35H63NO3,,545.480794876,DYJIJIUSBPCLMI,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Streptomyces coelicolor,102276.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces coelicolor'],0,0,1.5619481801986694 3039,11127,-1,,,,0.39048705,ISDB,DYJIJIUSBPCLMI-QGPLHBKUSA-N,"InChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22-,23+,24+,25+,26-,27-,28+,29+,30+,32-,33-,34+,35+/m0/s1",C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C,C35H63NO3,,545.480794876,DYJIJIUSBPCLMI,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Nitrosomonas europaea,830965.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Nitrosomonadales'],['Nitrosomonadaceae'],['Unknown'],['Nitrosomonas'],['Nitrosomonas europaea'],0,0,1.5619481801986694 3040,11127,-1,,,,0.39048705,ISDB,DYJIJIUSBPCLMI-NUJFMENSSA-N,"InChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22-,23+,24-,25+,26-,27-,28+,29+,30+,32-,33-,34+,35+/m0/s1",C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C35H63NO3,,545.480794876,DYJIJIUSBPCLMI,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Rhodoblastus acidophilus,342143.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhizobiales'],['Bradyrhizobiaceae'],['Unknown'],['Rhodoblastus'],['Rhodoblastus acidophilus'],0,0,1.5619481801986694 3041,11127,-1,,,,0.39048705,ISDB,DYJIJIUSBPCLMI-NUJFMENSSA-N,"InChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22-,23+,24-,25+,26-,27-,28+,29+,30+,32-,33-,34+,35+/m0/s1",C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C35H63NO3,,545.480794876,DYJIJIUSBPCLMI,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Methylobacterium organophilum,603998.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhizobiales'],['Methylobacteriaceae'],['Unknown'],['Methylobacterium'],['Methylobacterium organophilum'],0,0,1.5619481801986694 3042,11127,-1,,,,0.39048705,ISDB,DYJIJIUSBPCLMI-NUJFMENSSA-N,"InChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22-,23+,24-,25+,26-,27-,28+,29+,30+,32-,33-,34+,35+/m0/s1",C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C35H63NO3,,545.480794876,DYJIJIUSBPCLMI,Terpenoids,Triterpenoids,Hopane and Moretane triterpenoids,Rhodopseudomonas palustris,5283606.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhizobiales'],['Bradyrhizobiaceae'],['Unknown'],['Rhodopseudomonas'],['Rhodopseudomonas palustris'],0,0,1.5619481801986694 3043,11126,374,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,0.76611555,ISDB,CFEBVBFXLFAFIO-POQQGIQPSA-N,"InChI=1S/C14H22/c1-10-3-4-13-12(10)9-11-5-7-14(13,2)8-6-11/h5,7,10-13H,3-4,6,8-9H2,1-2H3/t10-,11-,12-,13+,14+/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1C[C@@H]1C=C[C@@]2(C)CC1,C14H22,,190.172150704,CFEBVBFXLFAFIO,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,3,8.564462184906006 3044,11125,957,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4210754,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,3,7.1843016147613525 3045,11123,-1,,,,0.5698949,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,0,7.2795796394348145 3046,11123,-1,,,,0.5698949,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.2795796394348145 3047,11121,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.25024468,ISDB,HPTOSMWVVSKAGZ-UHFFFAOYSA-N,"InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h9-10,22,24-25H,2-8,11-21H2,1H3",CCCCCCCCC=CCCCCCCCCCC(=O)OCC(O)CO,C23H44O4,,384.323959888,HPTOSMWVVSKAGZ,Fatty acids,Glycerolipids,Monoacylglycerols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,6.500978708267212 3048,11113,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RLVAVWQAAQFUOP-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C35H56O8,pos_1_1sodium,604.397518752,RLVAVWQAAQFUOP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3049,11113,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ZJQWQSQAAISKMX-GZKZZVJFSA-N,"InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O8,pos_1_1sodium,604.397518752,ZJQWQSQAAISKMX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3050,11113,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OPZZIOQITZJLAK-SAJAARKZSA-N,"InChI=1S/C35H56O8/c1-20(2)23(37)11-17-35(9,41)22-10-15-34(8)30(22)24(42-21(3)36)18-26-32(6)14-13-27(43-29(40)19-28(38)39)31(4,5)25(32)12-16-33(26,34)7/h22-27,30,37,41H,1,10-19H2,2-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O8,pos_1_1sodium,604.397518752,OPZZIOQITZJLAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3051,11113,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YYZGCFAOJNBCNR-NDWLBAEDSA-N,"InChI=1S/C35H56O8/c1-21(36)42-23-19-25-32(6)16-13-26(43-28(39)20-27(37)38)31(4,5)24(32)12-18-33(25,7)34(8)17-11-22(29(23)34)35(9,41)15-10-14-30(2,3)40/h10,14,22-26,29,40-41H,11-13,15-20H2,1-9H3,(H,37,38)/b14-10+/t22-,23+,24-,25+,26+,29-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O8,pos_1_1sodium,604.397518752,YYZGCFAOJNBCNR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3052,11110,-1,,,,0.49315798,ISDB,UXIVDLDIDDQRTQ-URJBFMKKSA-N,"InChI=1S/C24H34O5/c1-13-22(5)12-15-21(4)10-9-16(25)20(2,3)14(21)8-11-23(15,6)24(13,19(28)29-7)18(27)17(22)26/h14-15,17,26H,1,8-12H2,2-7H3/t14-,15+,17+,21-,22-,23+,24+/m0/s1",C=C1[C@]2(C(=O)OC)C(=O)[C@@H](O)[C@@]1(C)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C24H34O5,,402.240624188,UXIVDLDIDDQRTQ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],3,0,4.972631931304932 3053,11109,-1,,,,0.0,MS1_match,RLVAVWQAAQFUOP-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C35H56O8,pos_1_1proton1ethylamine,604.397518752,RLVAVWQAAQFUOP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3054,11109,-1,,,,0.0,MS1_match,ZJQWQSQAAISKMX-GZKZZVJFSA-N,"InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O8,pos_1_1proton1ethylamine,604.397518752,ZJQWQSQAAISKMX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3055,11109,-1,,,,0.0,MS1_match,OPZZIOQITZJLAK-SAJAARKZSA-N,"InChI=1S/C35H56O8/c1-20(2)23(37)11-17-35(9,41)22-10-15-34(8)30(22)24(42-21(3)36)18-26-32(6)14-13-27(43-29(40)19-28(38)39)31(4,5)25(32)12-16-33(26,34)7/h22-27,30,37,41H,1,10-19H2,2-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O8,pos_1_1proton1ethylamine,604.397518752,OPZZIOQITZJLAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3056,11109,-1,,,,0.0,MS1_match,YYZGCFAOJNBCNR-NDWLBAEDSA-N,"InChI=1S/C35H56O8/c1-21(36)42-23-19-25-32(6)16-13-26(43-28(39)20-27(37)38)31(4,5)24(32)12-18-33(25,7)34(8)17-11-22(29(23)34)35(9,41)15-10-14-30(2,3)40/h10,14,22-26,29,40-41H,11-13,15-20H2,1-9H3,(H,37,38)/b14-10+/t22-,23+,24-,25+,26+,29-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O8,pos_1_1proton1ethylamine,604.397518752,YYZGCFAOJNBCNR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3057,11108,-1,,,,0.6535848,ISDB,HUHYPGHUVADQQH-UHFFFAOYSA-N,"InChI=1S/C24H34O/c1-9-17-15-19(23(3,4)5)11-13-21(17)25-22-14-12-20(24(6,7)8)16-18(22)10-2/h11-16H,9-10H2,1-8H3",CCc1cc(C(C)(C)C)ccc1Oc1ccc(C(C)(C)C)cc1CC,C24H34O,,338.260965708,HUHYPGHUVADQQH,Polyketides,,,Basella alba,63162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Basellaceae'],['Unknown'],['Basella'],['Basella alba'],4,0,6.614339113235474 3058,11105,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5083561,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.533424377441406 3059,11104,-1,,,,0.3454782,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,7.38191282749176 3060,11103,109,Fatty acids,Fatty amides,Primary amides,0.31260985,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,4.250439405441284 3061,11102,764,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,3,7.5 3062,11102,764,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,3,7.5 3063,11101,-1,,,,0.0,MS1_match,MWDVFLQCDGBWDJ-AZGAKELHSA-N,"InChI=1S/C30H44O5/c1-3-4-5-6-7-8-9-10-12-24(25-16-19-27(32)20-17-25)13-11-14-26(31)18-15-23-21-28(33)30(35-2)29(34)22-23/h15-19,21,24,26,31,33H,3-14,20,22H2,1-2H3/t24-,26+/m0/s1",CCCCCCCCCC[C@@H](CCC[C@@H](O)C=CC1=CC(O)=C(OC)C(=O)C1)C1=CCC(=O)C=C1,C30H44O5,pos_1_1proton1isopropanol,484.318874508,MWDVFLQCDGBWDJ,,,,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,7.0 3064,11101,-1,,,,0.0,MS1_match,MWDVFLQCDGBWDJ-AZGAKELHSA-N,"InChI=1S/C30H44O5/c1-3-4-5-6-7-8-9-10-12-24(25-16-19-27(32)20-17-25)13-11-14-26(31)18-15-23-21-28(33)30(35-2)29(34)22-23/h15-19,21,24,26,31,33H,3-14,20,22H2,1-2H3/t24-,26+/m0/s1",CCCCCCCCCC[C@@H](CCC[C@@H](O)C=CC1=CC(O)=C(OC)C(=O)C1)C1=CCC(=O)C=C1,C30H44O5,pos_1_1proton1isopropanol,484.318874508,MWDVFLQCDGBWDJ,,,,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,7.0 3065,11101,-1,,,,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton1methanol,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 3066,11101,-1,,,,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton1methanol,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 3067,11100,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.46208674,ISDB,TYLGSFWEJKPDQE-VBLNRODASA-N,"InChI=1S/C33H50O5/c1-19(2)10-9-11-20(28(35)37-8)26-27-23(38-29(26)36)18-33(7)22-12-13-24-30(3,4)25(34)15-16-31(24,5)21(22)14-17-32(27,33)6/h10,12,20-21,23-24,26-27,29,36H,9,11,13-18H2,1-8H3/t20-,21?,23+,24+,26+,27+,29+,31-,32+,33-/m1/s1",COC(=O)[C@H](CCC=C(C)C)[C@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4CC[C@@]23C)O[C@@H]1O,C33H50O5,,526.3658247,TYLGSFWEJKPDQE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Melia volkensii,991935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia volkensii'],4,3,7.348346948623657 3068,11099,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.2546144,ISDB,YGBIXFIIAJCOLF-NRDJKUSPSA-N,"InChI=1S/C35H54O7/c1-20-13-16-35(29(38)40-10)18-17-32(7)23(27(35)34(20,9)39)11-12-26-31(6)19-24(41-21(2)36)28(42-22(3)37)30(4,5)25(31)14-15-33(26,32)8/h11,20,24-28,39H,12-19H2,1-10H3/t20-,24-,25+,26-,27-,28-,31+,32-,33-,34-,35+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C35H54O7,,586.386954068,YGBIXFIIAJCOLF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Hedyotis lawsoniae,85711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Hedyotis'],['Hedyotis lawsoniae'],4,2,6.018457651138306 3069,11098,1669,Terpenoids,Apocarotenoids,Megastigmanes,0.37171057,ISDB,,,,,,,OTQWGNRJCSNJLH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4868422746658325 3070,11097,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7382882,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,3,8.453152894973755 3071,11097,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7382882,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,3,8.453152894973755 3072,11097,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7382882,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,8.453152894973755 3073,11097,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7382882,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,8.453152894973755 3074,11097,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7382882,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,3,8.453152894973755 3075,11097,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7382882,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,3,8.453152894973755 3076,11097,2429,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7382882,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.453152894973755 3077,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-GFCCVEGCSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m1/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,3,8.413457870483398 3078,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pilocarpus riedelianus,6125579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Pilocarpus'],['Pilocarpus riedelianus'],4,3,8.413457870483398 3079,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus,266228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Unknown'],4,3,8.413457870483398 3080,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lithraea molleoides,556811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Lithrea'],['Lithrea molleoides'],4,3,8.413457870483398 3081,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,3,8.413457870483398 3082,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Schinus molle,411495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Schinus'],['Schinus molle'],4,3,8.413457870483398 3083,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cleistopholis patens,3867599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cleistopholis'],['Cleistopholis patens'],4,3,8.413457870483398 3084,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Bupleurum acutifolium,884713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum acutifolium'],4,3,8.413457870483398 3085,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,3,8.413457870483398 3086,11096,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72836447,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,3,8.413457870483398 3087,11095,-1,,,,0.6610265,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.644105911254883 3088,11092,-1,,,,0.514957,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,9.059828042984009 3089,11091,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6712541,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.685016393661499 3090,11090,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7474492,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.489796876907349 3091,11089,2237,Terpenoids,Sesquiterpenoids,Apotirucallane triterpenoids,0.45180476,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,2,5.8072190284729 3092,11088,-1,,,,0.0,MS1_match,RLVAVWQAAQFUOP-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C35H56O8,pos_2MHNH3,604.397518752,RLVAVWQAAQFUOP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3093,11088,-1,,,,0.0,MS1_match,ZJQWQSQAAISKMX-GZKZZVJFSA-N,"InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O8,pos_2MHNH3,604.397518752,ZJQWQSQAAISKMX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3094,11088,-1,,,,0.0,MS1_match,OPZZIOQITZJLAK-SAJAARKZSA-N,"InChI=1S/C35H56O8/c1-20(2)23(37)11-17-35(9,41)22-10-15-34(8)30(22)24(42-21(3)36)18-26-32(6)14-13-27(43-29(40)19-28(38)39)31(4,5)25(32)12-16-33(26,34)7/h22-27,30,37,41H,1,10-19H2,2-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O8,pos_2MHNH3,604.397518752,OPZZIOQITZJLAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3095,11088,-1,,,,0.0,MS1_match,YYZGCFAOJNBCNR-NDWLBAEDSA-N,"InChI=1S/C35H56O8/c1-21(36)42-23-19-25-32(6)16-13-26(43-28(39)20-27(37)38)31(4,5)24(32)12-18-33(25,7)34(8)17-11-22(29(23)34)35(9,41)15-10-14-30(2,3)40/h10,14,22-26,29,40-41H,11-13,15-20H2,1-9H3,(H,37,38)/b14-10+/t22-,23+,24-,25+,26+,29-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O8,pos_2MHNH3,604.397518752,YYZGCFAOJNBCNR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3096,11087,-1,,,,0.0,MS1_match,RLVAVWQAAQFUOP-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C35H56O8,pos_1_1proton1ammonium,604.397518752,RLVAVWQAAQFUOP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3097,11087,-1,,,,0.0,MS1_match,ZJQWQSQAAISKMX-GZKZZVJFSA-N,"InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O8,pos_1_1proton1ammonium,604.397518752,ZJQWQSQAAISKMX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3098,11087,-1,,,,0.0,MS1_match,OPZZIOQITZJLAK-SAJAARKZSA-N,"InChI=1S/C35H56O8/c1-20(2)23(37)11-17-35(9,41)22-10-15-34(8)30(22)24(42-21(3)36)18-26-32(6)14-13-27(43-29(40)19-28(38)39)31(4,5)25(32)12-16-33(26,34)7/h22-27,30,37,41H,1,10-19H2,2-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O8,pos_1_1proton1ammonium,604.397518752,OPZZIOQITZJLAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3099,11087,-1,,,,0.0,MS1_match,YYZGCFAOJNBCNR-NDWLBAEDSA-N,"InChI=1S/C35H56O8/c1-21(36)42-23-19-25-32(6)16-13-26(43-28(39)20-27(37)38)31(4,5)24(32)12-18-33(25,7)34(8)17-11-22(29(23)34)35(9,41)15-10-14-30(2,3)40/h10,14,22-26,29,40-41H,11-13,15-20H2,1-9H3,(H,37,38)/b14-10+/t22-,23+,24-,25+,26+,29-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O8,pos_1_1proton1ammonium,604.397518752,YYZGCFAOJNBCNR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3100,11086,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-UHFFFAOYSA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)",CC(C)(O)C1CCC(C2CCC3(C)C4(C)CCC5C(C)(C)C(OC(=O)CC(=O)O)CCC5(C)C4CC(O)C23C)O1,C33H54O7,pos_1_1proton1acetonitrile,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 3101,11086,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-BLMMWBQISA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20-,21-,22+,23+,24+,25+,30-,31+,32-,33+/m0/s1",CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1acetonitrile,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 3102,11086,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-YCIWXRGLSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27-,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1acetonitrile,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 3103,11086,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-KJARQRAKSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27+,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton1acetonitrile,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 3104,11085,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6404066,ISDB,,,,,,,IMTYAILZRNQVCO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.561626434326172 3105,11084,-1,,,,0.42400685,ISDB,RDBOKLTXJDYSFQ-ABMOCFRJSA-N,"InChI=1S/C27H40/c1-18(2)9-8-10-19(3)25-13-14-26-24-17-21-11-6-7-12-22(21)20(4)23(24)15-16-27(25,26)5/h6,11,17-19,25-26H,7-10,12-16H2,1-5H3/t19-,25-,26+,27-/m1/s1",Cc1c2c(cc3c1CC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]31)C=CCC2,C27H40,,364.31300128,RDBOKLTXJDYSFQ,Terpenoids,Steroids,Ergostane steroids,Ixodes ricinus,493144.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Ixodida'],['Ixodidae'],['Unknown'],['Ixodes'],['Ixodes ricinus'],1,0,2.696027398109436 3106,11083,-1,,,,0.2718667,ISDB,SLGRVNFOKARIBY-FMLLKXRZSA-N,"InChI=1S/C18H34N2O3/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-20(22)19-17(3)18(21)23-4/h13,15-17H,5-12,14H2,1-4H3/b15-13-,20-19?/t17-/m0/s1",COC(=O)[C@H](C)N=[N+]([O-])/C=C\CCCCCCCCCC(C)C,C18H34N2O3,,326.256942948,SLGRVNFOKARIBY,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.087466835975647 3107,11081,1173,Fatty acids,Fatty acyls,Fatty alcohols,0.35134187,ISDB,YBFDEMZEWRINKR-FNORWQNLSA-N,"InChI=1S/C22H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5,7H,6,8-14,16,18-22H2/b7-5+",C#C/C=C/CCCC#CCCCCCCCCCCCC#C,C22H32,,296.250401024,YBFDEMZEWRINKR,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.9053674936294556 3108,11080,-1,,,,0.30749467,ISDB,UBBKTKSNNRMAPA-GPGPQOAVSA-N,"InChI=1S/C21H32/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11-12,14-16,20H,5,7,9-10,13H2,1-4,6H3/b17-8+/t20-/m0/s1",C=C(CC/C(C)=C/CC[C@H](C)c1ccc(C)cc1)C(C)C,C21H32,,284.250401024,UBBKTKSNNRMAPA,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,0,5.229978680610657 3109,11080,-1,,,,0.30749467,ISDB,UBBKTKSNNRMAPA-GPGPQOAVSA-N,"InChI=1S/C21H32/c1-16(2)19(5)13-10-17(3)8-7-9-20(6)21-14-11-18(4)12-15-21/h8,11-12,14-16,20H,5,7,9-10,13H2,1-4,6H3/b17-8+/t20-/m0/s1",C=C(CC/C(C)=C/CC[C@H](C)c1ccc(C)cc1)C(C)C,C21H32,,284.250401024,UBBKTKSNNRMAPA,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,0,5.229978680610657 3110,11079,-1,,,,0.6410699,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,0,6.564279556274414 3111,11079,-1,,,,0.6410699,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,0,6.564279556274414 3112,11076,998,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.58089113,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,3,7.823564529418945 3113,11074,-1,,,,0.27119133,ISDB,,,,,,,ZBPHOPAOHAJOMC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0847653150558472 3114,11073,-1,,,,0.95995015,ISDB,QVDZIGUTWPPHPE-JAUDFVEASA-N,"InChI=1S/C30H40O5/c1-16(2)28-22(32)25-12-9-20-23(4,5)10-8-11-26(20)15-27(25)18(17(3)19(31)14-25)13-21-24(6,7)33-30(28,35-28)29(21,27)34-26/h16,20-21H,8-15H2,1-7H3/t20-,21-,25-,26-,27?,28-,29+,30-/m0/s1",CC1=C2C[C@H]3C(C)(C)O[C@]45O[C@@]4(C(C)C)C(=O)[C@]4(CC[C@H]6C(C)(C)CCC[C@]67CC24[C@]35O7)CC1=O,C30H40O5,,480.28757438,QVDZIGUTWPPHPE,Terpenoids,Diterpenoids,,Salvia hydrangea,574323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia hydrangea'],3,0,6.839800596237183 3115,11066,57,Terpenoids,Steroids,Cardenolides,0.397028,ISDB,BYAWQQAKKDWFPZ-TXHVFJLUSA-N,"InChI=1S/C37H54O13/c1-12-19(7)34(42)47-29-23(11)45-37(49-30-24(18(5)6)15-14-21(9)26(30)39)33(46-25(38)16-17(3)4)32(29)50-36-28(41)31(27(40)22(10)44-36)48-35(43)20(8)13-2/h12-15,17-18,22-23,27-29,31-33,36-37,39-41H,16H2,1-11H3/b19-12-,20-13-/t22-,23-,27+,28-,29+,31+,32+,33-,36+,37+/m1/s1",C/C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@@H](C)O[C@@H](Oc3c(C(C)C)ccc(C)c3O)[C@@H]2OC(=O)CC(C)C)[C@@H]1O,C37H54O13,,706.356441788,BYAWQQAKKDWFPZ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Melampodium divaricatum,481300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Melampodium'],['Melampodium divaricatum'],4,1,6.088111996650696 3116,11063,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.4828247,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.431298851966858 3117,11062,-1,,,,0.0,MS1_match,RLVAVWQAAQFUOP-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C35H56O8,pos_2MNa,604.397518752,RLVAVWQAAQFUOP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3118,11062,-1,,,,0.0,MS1_match,ZJQWQSQAAISKMX-GZKZZVJFSA-N,"InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O8,pos_2MNa,604.397518752,ZJQWQSQAAISKMX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3119,11062,-1,,,,0.0,MS1_match,OPZZIOQITZJLAK-SAJAARKZSA-N,"InChI=1S/C35H56O8/c1-20(2)23(37)11-17-35(9,41)22-10-15-34(8)30(22)24(42-21(3)36)18-26-32(6)14-13-27(43-29(40)19-28(38)39)31(4,5)25(32)12-16-33(26,34)7/h22-27,30,37,41H,1,10-19H2,2-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O8,pos_2MNa,604.397518752,OPZZIOQITZJLAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3120,11062,-1,,,,0.0,MS1_match,YYZGCFAOJNBCNR-NDWLBAEDSA-N,"InChI=1S/C35H56O8/c1-21(36)42-23-19-25-32(6)16-13-26(43-28(39)20-27(37)38)31(4,5)24(32)12-18-33(25,7)34(8)17-11-22(29(23)34)35(9,41)15-10-14-30(2,3)40/h10,14,22-26,29,40-41H,11-13,15-20H2,1-9H3,(H,37,38)/b14-10+/t22-,23+,24-,25+,26+,29-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O8,pos_2MNa,604.397518752,YYZGCFAOJNBCNR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3121,11059,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.50406706,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.516268253326416 3122,11056,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7323248,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9292991161346436 3123,11055,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.40766692,ISDB,ZGWIUHSCLOOVHO-HLIATGGQSA-N,"InChI=1S/C35H46O6/c1-20(2)39-30-26-24(32(26,6)7)17-18-33(8)29(37)27-28(40-25(36)16-15-23-13-11-10-12-14-23)22(5)19-35(27,41-21(3)4)31(38)34(30,33)9/h10-16,22,24,26-30,37H,1,3,17-19H2,2,4-9H3/b16-15+/t22-,24-,26-,27+,28-,29+,30+,33-,34+,35+/m0/s1",C=C(C)O[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)C[C@]4(OC(=C)C)C(=O)[C@@]13C)C2(C)C,C35H46O6,,562.329439192,ZGWIUHSCLOOVHO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],3,1,5.130667686462402 3124,11054,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6525249,ISDB,JEOZUAHPKAVXSF-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja plicata,463725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja plicata'],6,3,10.11009955406189 3125,11051,1453,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.64170045,ISDB,,,,,,,ZOXULAUECYWFFP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5668017864227295 3126,11050,1127,Fatty acids,Fatty esters,Fatty acid estolides,0.38839027,ISDB,HMEVPMUFHLUBFU-KGAYOUTBSA-N,"InChI=1S/C24H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)24(27)25-22(3)20-28-23(4)26/h19,22H,5-18,20H2,1-4H3,(H,25,27)/b21-19+/t22-/m0/s1",CCCCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](C)COC(C)=O,C24H45NO3,,395.3399443,HMEVPMUFHLUBFU,Fatty acids,Fatty amides,N-acyl amines,Lyngbya semiplena,648244.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya semiplena'],0,1,2.0535610914230347 3127,11049,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.79207003,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,2,11.168280124664307 3128,11047,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.58342403,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.333696126937866 3129,11045,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.8263025,ISDB,RMUJWENALAQPCS-VOTSOKGWSA-N,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7H,2-5,8-19H2,1H3,(H,21,22)/b7-6+",CCCCC/C=C/CCCCCCCCCCCCC(=O)O,C20H38O2,,310.287180456,RMUJWENALAQPCS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Senna obtusifolia,335059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna obtusifolia'],3,0,6.305210113525391 3130,11044,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.7017796,ISDB,MPQZYYFISKOFRL-MNRYOPCGSA-N,"InChI=1S/C20H36O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h16-18,21H,1,6-14H2,2-5H3/t16?,17-,18+,20+/m1/s1",C=C1CCCC(C)CC[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2CC1,C20H36O,,292.276615772,MPQZYYFISKOFRL,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Cleome ovalifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],3,0,5.8071184158325195 3131,11044,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.7017796,ISDB,MPQZYYFISKOFRL-MNRYOPCGSA-N,"InChI=1S/C20H36O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h16-18,21H,1,6-14H2,2-5H3/t16?,17-,18+,20+/m1/s1",C=C1CCCC(C)CC[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2CC1,C20H36O,,292.276615772,MPQZYYFISKOFRL,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Cleome droserifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],3,0,5.8071184158325195 3132,11043,1127,Fatty acids,Fatty esters,Fatty acid estolides,0.3476356,ISDB,APRNIWNRXVDZQP-FGZHOGPDSA-N,"InChI=1S/C24H47NO4/c1-4-6-8-10-11-12-13-15-16-18-22(21(3)25-20-23(26)27)29-24(28)19-17-14-9-7-5-2/h21-22,25H,4-20H2,1-3H3,(H,26,27)/t21-,22-/m1/s1",CCCCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)NCC(=O)O,C24H47NO4,,413.350508984,APRNIWNRXVDZQP,Fatty acids,Fatty esters,Fatty acid estolides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,3.8905423879623413 3133,11042,1127,Fatty acids,Fatty esters,Fatty acid estolides,0.38390207,ISDB,HMEVPMUFHLUBFU-KGAYOUTBSA-N,"InChI=1S/C24H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)24(27)25-22(3)20-28-23(4)26/h19,22H,5-18,20H2,1-4H3,(H,25,27)/b21-19+/t22-/m0/s1",CCCCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](C)COC(C)=O,C24H45NO3,,395.3399443,HMEVPMUFHLUBFU,Fatty acids,Fatty amides,N-acyl amines,Lyngbya semiplena,648244.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya semiplena'],0,1,2.0356082916259766 3134,11041,1127,Fatty acids,Fatty esters,Fatty acid estolides,0.3267543,ISDB,APRNIWNRXVDZQP-FGZHOGPDSA-N,"InChI=1S/C24H47NO4/c1-4-6-8-10-11-12-13-15-16-18-22(21(3)25-20-23(26)27)29-24(28)19-17-14-9-7-5-2/h21-22,25H,4-20H2,1-3H3,(H,26,27)/t21-,22-/m1/s1",CCCCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)NCC(=O)O,C24H47NO4,,413.350508984,APRNIWNRXVDZQP,Fatty acids,Fatty esters,Fatty acid estolides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,3.807017207145691 3135,11040,1127,Fatty acids,Fatty esters,Fatty acid estolides,0.33744508,ISDB,APRNIWNRXVDZQP-FGZHOGPDSA-N,"InChI=1S/C24H47NO4/c1-4-6-8-10-11-12-13-15-16-18-22(21(3)25-20-23(26)27)29-24(28)19-17-14-9-7-5-2/h21-22,25H,4-20H2,1-3H3,(H,26,27)/t21-,22-/m1/s1",CCCCCCCCCCC[C@@H](OC(=O)CCCCCCC)[C@@H](C)NCC(=O)O,C24H47NO4,,413.350508984,APRNIWNRXVDZQP,Fatty acids,Fatty esters,Fatty acid estolides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,3.849780321121216 3136,11039,-1,,,,0.79546803,ISDB,CDBDDJJFIHXISK-GRNDGOIUSA-N,"InChI=1S/C30H40O4/c1-14(2)17-20-18-19(26(34)30(20)12-11-29(15(3)4)13-16(29)30)23(32)25-27(5,6)9-8-10-28(25,7)21(18)24(33)22(17)31/h14-16,23,25,32-33H,8-13H2,1-7H3/t16-,23-,25-,28+,29+,30-/m0/s1",CC(C)C1=C2C3=C(C(=O)[C@]24CC[C@]2(C(C)C)C[C@H]42)[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=C(O)C1=O,C30H40O4,,464.29265976,CDBDDJJFIHXISK,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,10.181872129440308 3137,11038,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.27219263,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0887705087661743 3138,11036,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.5924546,ISDB,GQRUHVMVWNKUFW-YSTOQKLRSA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19+,20-/m1/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CO)CCC[C@]3(C)[C@@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,10.369818449020386 3139,11035,-1,,,,0.6280515,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,9.512206077575684 3140,11035,-1,,,,0.6280515,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,9.512206077575684 3141,11034,1127,Fatty acids,Fatty esters,Fatty acid estolides,0.3887868,ISDB,HMEVPMUFHLUBFU-KGAYOUTBSA-N,"InChI=1S/C24H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)24(27)25-22(3)20-28-23(4)26/h19,22H,5-18,20H2,1-4H3,(H,25,27)/b21-19+/t22-/m0/s1",CCCCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](C)COC(C)=O,C24H45NO3,,395.3399443,HMEVPMUFHLUBFU,Fatty acids,Fatty amides,N-acyl amines,Lyngbya semiplena,648244.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya semiplena'],0,1,2.055147171020508 3142,11031,-1,,,,0.2191257,ISDB,ZORBIEXXHYHNFM-DZDVKVCLSA-N,"InChI=1S/C32H50O5/c1-19(33)37-22-18-31(8)23(29(6)12-11-24(34)28(4,5)25(22)29)10-9-20-21-17-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h9,21-25,34H,10-18H2,1-8H3,(H,35,36)/t21-,22+,23-,24+,25+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)[C@H](CC=C3[C@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]32C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]12,C32H50O5,,514.3658247,ZORBIEXXHYHNFM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula utilis,922610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula utilis'],7,0,7.876502811908722 3143,11030,-1,,,,0.8523585,ISDB,RNYYGMJZURXGJR-RMMJQKMOSA-N,"InChI=1S/C31H48O3/c1-25(2)12-14-30-15-13-29(7)28(6)11-8-18-26(3,4)20(32)9-10-27(18,5)23(28)22-24(34-22)31(29,17-21(30)33)19(30)16-25/h18-20,22-24,32H,8-17H2,1-7H3/t18-,19+,20-,22-,23+,24-,27-,28+,29-,30-,31-/m0/s1",CC1(C)CC[C@@]23CC[C@]4(C)[C@@](CC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]14C,C31H48O3,,468.360345396,RNYYGMJZURXGJR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Amphipterygium adstringens,983814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Amphipterygium'],['Amphipterygium adstringens'],4,0,7.409434080123901 3144,11029,-1,,,,0.0,MS1_match,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,pos_1_1sodium,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,0,6.0 3145,11027,-1,,,,0.27964422,ISDB,,,,,,,NWZANUWQBAIRAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1185768842697144 3146,11025,-1,,,,0.21401599,ISDB,NNUMQZNZQGQGCN-AGHUFMIKSA-N,"InChI=1S/C30H42O2/c1-17(2)20-15-18(16-24(20)31)19-11-13-29(5)21(19)7-8-23-27-22(12-14-30(23,29)6)28(3,4)26-10-9-25(27)32-26/h16,19,21,23,25-26H,7-15H2,1-6H3/t19-,21-,23-,25-,26+,29-,30-/m1/s1",CC(C)=C1CC([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(CC[C@]23C)C(C)(C)[C@@H]2CC[C@H]4O2)=CC1=O,C30H42O2,,434.318480584,NNUMQZNZQGQGCN,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Gynostemma pentaphyllum,493377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Gomphogyneae'],['Gynostemma'],['Gynostemma pentaphyllum'],4,0,4.856063961982727 3147,11024,-1,,,,0.30542985,ISDB,WTJDZDHSLHRPOC-LODGTALCSA-N,"InChI=1S/C30H42O5/c1-7-21(2)9-13-26-29(4)17-8-16-28(3,25(29)15-18-30(26,5)33)20-35-27(32)14-11-22-10-12-23(31)24(19-22)34-6/h7,10-12,14,19,25-26,31,33H,1-2,8-9,13,15-18,20H2,3-6H3/b14-11-/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C\c3ccc(O)c(OC)c3)[C@@H]2CC[C@@]1(C)O,C30H42O5,,482.3032244439999,WTJDZDHSLHRPOC,Terpenoids,Diterpenoids,Labdane diterpenoids,Fokienia hodginsii,1090066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis hodginsii'],5,0,6.22171938419342 3148,11024,-1,,,,0.30542985,ISDB,WTJDZDHSLHRPOC-LODGTALCSA-N,"InChI=1S/C30H42O5/c1-7-21(2)9-13-26-29(4)17-8-16-28(3,25(29)15-18-30(26,5)33)20-35-27(32)14-11-22-10-12-23(31)24(19-22)34-6/h7,10-12,14,19,25-26,31,33H,1-2,8-9,13,15-18,20H2,3-6H3/b14-11-/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C\c3ccc(O)c(OC)c3)[C@@H]2CC[C@@]1(C)O,C30H42O5,,482.3032244439999,WTJDZDHSLHRPOC,Terpenoids,Diterpenoids,Labdane diterpenoids,Chamaecyparis formosensis,800340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis formosensis'],5,0,6.22171938419342 3149,11022,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.20770773,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.330830931663513 3150,11021,-1,,,,0.39855596,ISDB,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,7.594223856925964 3151,11019,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.30092385,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,4.2036954164505005 3152,11018,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.51793104,ISDB,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.57172417640686 3153,11017,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6178908,ISDB,GPFVBJYXFRIOFB-HNBVOPMISA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,9.97156310081482 3154,11013,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6320947,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,10.02837872505188 3155,11010,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6613753,ISDB,JEOZUAHPKAVXSF-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,10.145501136779785 3156,11010,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6613753,ISDB,JEOZUAHPKAVXSF-UHZRXMQZSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18+,19-,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,10.145501136779785 3157,11010,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6613753,ISDB,JEOZUAHPKAVXSF-UHZRXMQZSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18+,19-,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,10.145501136779785 3158,11010,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6613753,ISDB,JEOZUAHPKAVXSF-UHZRXMQZSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18+,19-,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,10.145501136779785 3159,11010,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6613753,ISDB,JEOZUAHPKAVXSF-UHZRXMQZSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18+,19-,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,10.145501136779785 3160,11010,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6613753,ISDB,JEOZUAHPKAVXSF-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,10.145501136779785 3161,11010,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6613753,ISDB,JEOZUAHPKAVXSF-UHZRXMQZSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18+,19-,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,10.145501136779785 3162,11010,2691,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6613753,ISDB,JEOZUAHPKAVXSF-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13,16-17,21H,1,6-12,14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,JEOZUAHPKAVXSF,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,10.145501136779785 3163,11009,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49577036,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.483081459999084 3164,11007,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3872241,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.048896431922913 3165,11005,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.75466293,ISDB,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,2,9.018651723861694 3166,11005,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.75466293,ISDB,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,2,9.018651723861694 3167,11004,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.35884687,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,3,7.935387492179871 3168,11003,1923,Terpenoids,Sesquiterpenoids,Cyclolaurane sesquiterpenoids,0.9051234,ISDB,XNIZFYLMUVNEOT-MUVIMXQCSA-N,"InChI=1S/C30H38O2/c1-17-11-25(31)23(27(3)9-7-19-15-29(19,27)5)13-21(17)22-14-24(26(32)12-18(22)2)28(4)10-8-20-16-30(20,28)6/h11-14,19-20,31-32H,7-10,15-16H2,1-6H3/t19-,20-,27+,28+,29+,30+/m1/s1",Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1-c1cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)cc1C,C30H38O2,,430.287180456,XNIZFYLMUVNEOT,Terpenoids,Sesquiterpenoids,Cyclolaurane sesquiterpenoids,Laurencia tristicha,4012273.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Laurencia'],['Laurencia tristicha'],2,3,7.120493650436401 3169,11003,1923,Terpenoids,Sesquiterpenoids,Cyclolaurane sesquiterpenoids,0.9051234,ISDB,XNIZFYLMUVNEOT-MUVIMXQCSA-N,"InChI=1S/C30H38O2/c1-17-11-25(31)23(27(3)9-7-19-15-29(19,27)5)13-21(17)22-14-24(26(32)12-18(22)2)28(4)10-8-20-16-30(20,28)6/h11-14,19-20,31-32H,7-10,15-16H2,1-6H3/t19-,20-,27+,28+,29+,30+/m1/s1",Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1-c1cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)cc1C,C30H38O2,,430.287180456,XNIZFYLMUVNEOT,Terpenoids,Sesquiterpenoids,Cyclolaurane sesquiterpenoids,Laurencia nidifica,952487.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Laurencia'],['Laurencia nidifica'],2,3,7.120493650436401 3170,11001,-1,,,,0.37267637,ISDB,,,,,,,VXVVLTGIGDHWTQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4907054901123047 3171,10999,1397,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48565498,ISDB,LMNZSAWWQSPBNF-SIKLNZKXSA-N,"InChI=1S/C22H32O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h9-10,14,19H,7-8,11-13H2,1-6H3/t19-,22+/m0/s1",CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C22H32O2,,328.240230264,LMNZSAWWQSPBNF,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,3,8.442619919776917 3172,10998,124,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.0,MS1_match,ODWWVNQJRSDXPR-GFEQUFNTSA-N,"InChI=1S/C24H32N4O2/c1-25-10-16-5-18(13-25)21-4-3-20(24(30)28(21)12-16)17-7-22-19-6-15(9-26(2)14-19)11-27(22)23(29)8-17/h3-4,7,15-19H,5-6,8-14H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1",CN1C[C@H]2C[C@@H](C1)C1=C[C@H](c3ccc4n(c3=O)C[C@@H]3C[C@H]4CN(C)C3)CC(=O)N1C2,C24H32N4O2,pos_2MHNH3,408.252526264,ODWWVNQJRSDXPR,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Thermopsis alterniflora,3928780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Thermopsis'],['Thermopsis alterniflora'],6,0,6.0 3173,10997,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6093772,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.937508821487427 3174,10996,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,NFRXSIOHGADFRG-MEMZBLDGSA-N,"InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C,C30H48O,pos_1_minus1proton2sodium,424.3705161559999,NFRXSIOHGADFRG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,2,7.0 3175,10996,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,NFRXSIOHGADFRG-MEMZBLDGSA-N,"InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C,C30H48O,pos_1_minus1proton2sodium,424.3705161559999,NFRXSIOHGADFRG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,2,7.0 3176,10995,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.32800737,ISDB,PUSNSFIJAMTISX-LQOHYYORSA-N,"InChI=1S/C24H42N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h6,8,19-20H,4-5,7,9-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/b8-6-/t20-/m1/s1",CC(C)CCC/C=C\CCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O,C24H42N4O4,,450.320605824,PUSNSFIJAMTISX,Fatty acids,Fatty amides,N-acyl amines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.312029480934143 3177,10994,-1,,,,0.80861324,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.234452962875366 3178,10993,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.59362733,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.874509334564209 3179,10992,591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.74895257,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.495810270309448 3180,10991,-1,,,,0.44003865,ISDB,UMLDOSNQGZWGBQ-AHQCWXFASA-N,"InChI=1S/C30H42O4/c1-7-22(2)9-15-26-29(4)19-8-18-28(3,25(29)17-20-30(26,5)32)21-34-27(31)16-12-23-10-13-24(33-6)14-11-23/h7,10-14,16,25-26,32H,1-2,8-9,15,17-21H2,3-6H3/b16-12+/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O,C30H42O4,,466.30830982399993,UMLDOSNQGZWGBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,8.760154604911804 3181,10986,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.3961537,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.5846147537231445 3182,10986,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.3961537,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.5846147537231445 3183,10984,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3636367,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,8.954546809196472 3184,10983,-1,,,,0.84049344,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.361973762512207 3185,10981,2772,Terpenoids,Triterpenoids,Serratane triterpenoids,0.5681574,ISDB,ASUNVHRUJYSWCX-AXDYEKDHSA-N,"InChI=1S/C31H50O3/c1-25(2)20-9-14-27(5)19-30-17-10-21-26(3,4)24(33-8)13-16-29(21,7)31(30,34-30)18-11-22(27)28(20,6)15-12-23(25)32/h20-22,24H,9-19H2,1-8H3/t20-,21+,22-,24+,27+,28+,29+,30-,31-/m1/s1",CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@]32O4)C1(C)C,C31H50O3,,470.37599546,ASUNVHRUJYSWCX,Terpenoids,Triterpenoids,Serratane triterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,9.772629499435425 3186,10977,134,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.30856568,ISDB,YWBKKENLEYFYSE-FONAMCPPSA-N,"InChI=1S/C40H54O5/c1-22(2)24-17-26-28(19-30(24)41)39(9)15-11-13-37(5,6)33(39)21-32(26)45-44-31-20-29-27(18-25(31)23(3)4)34(42)35(43)36-38(7,8)14-12-16-40(29,36)10/h17-20,22-23,32-33,41,43H,11-16,21H2,1-10H3/t32-,33-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C,C40H54O5,,614.397124828,YWBKKENLEYFYSE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,1,6.734262704849243 3187,10976,966,Polyketides,Aromatic polyketides,Catechols with side chains,0.2708265,ISDB,FZWFLWKOEPUBST-TVZSLTSFSA-N,"InChI=1S/C39H50O4/c1-4-6-8-16-20-25-34-31-37(40)36(28-21-9-7-5-2)38(32-34)43-39(41)29-22-18-15-13-11-10-12-14-17-19-24-33-26-23-27-35(30-33)42-3/h10-15,17-19,22-24,26-27,29-32,40H,4-9,16,20-21,25,28H2,1-3H3/b12-10+,13-11+,17-14+,18-15+,24-19+,29-22+",CCCCCCCc1cc(O)c(CCCCCC)c(OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/c2cccc(OC)c2)c1,C39H50O4,,582.37091008,FZWFLWKOEPUBST,Polyketides,Aromatic polyketides,Catechols with side chains,Variovorax paradoxus,386911.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Burkholderiales'],['Comamonadaceae'],['Unknown'],['Hylemonella'],['Variovorax paradoxus'],0,3,2.5833059549331665 3188,10975,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36656597,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.9662638902664185 3189,10974,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.59126234,ISDB,RXORHYFDDNAOQS-MDZDMXLPSA-N,"InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,9-10,18H,1,3-8,11-17H2/b10-9+",C=CCCCCCC/C=C/CCCCCCCC=O,C18H32O,,264.245315644,RXORHYFDDNAOQS,Fatty acids,Fatty acyls,Fatty aldehydes,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,8.365049362182617 3190,10973,109,Fatty acids,Fatty amides,Primary amides,0.74377495,ISDB,FATBGEAMYMYZAF-UHFFFAOYSA-N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)",CCCCCCCCC=CCCCCCCCC(N)=O,C18H35NO,,281.27186474,FATBGEAMYMYZAF,Fatty acids,Fatty amides,Primary amides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,10.475099802017212 3191,10972,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.55640244,ISDB,KWKXNDCHNDYVRT-UHFFFAOYSA-N,"InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",CCCCCCCCCCCCc1ccccc1,C18H30,,246.23475096,KWKXNDCHNDYVRT,Polyketides,Aromatic polyketides,Catechols with side chains,Aloe vera,62303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe vera'],4,3,7.72560977935791 3192,10969,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48697186,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.447887420654297 3193,10968,109,Fatty acids,Fatty amides,Primary amides,0.74929094,ISDB,RVDPDXRDNDUJHE-UHFFFAOYSA-N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20)",CCCCCCCCCC=CCCCCCCC(N)=O,C18H35NO,,281.27186474,RVDPDXRDNDUJHE,Fatty acids,Fatty amides,Primary amides,Crinum latifolium,118200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum latifolium'],4,3,8.497163772583008 3194,10967,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.63611627,ISDB,UVNRLSCOYBEJTM-YOILPLPUSA-N,"InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,12-13,15-16,19H,2-8,11,14,17-18H2,1H3/b10-9-,13-12-,16-15-",CCCCCCCC/C=C\C/C=C\C/C=C\CCO,C18H32O,,264.245315644,UVNRLSCOYBEJTM,Fatty acids,Fatty acyls,Fatty alcohols,Clibadium microcephalum,7604923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Clibadium'],['Clibadium microcephalum'],4,0,6.544465065002441 3195,10966,109,Fatty acids,Fatty amides,Primary amides,0.7484059,ISDB,RVDPDXRDNDUJHE-UHFFFAOYSA-N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20)",CCCCCCCCCC=CCCCCCCC(N)=O,C18H35NO,,281.27186474,RVDPDXRDNDUJHE,Fatty acids,Fatty amides,Primary amides,Crinum latifolium,118200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum latifolium'],4,3,8.493623495101929 3196,10965,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.5575808,ISDB,KWKXNDCHNDYVRT-UHFFFAOYSA-N,"InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",CCCCCCCCCCCCc1ccccc1,C18H30,,246.23475096,KWKXNDCHNDYVRT,Polyketides,Aromatic polyketides,Catechols with side chains,Aloe vera,62303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe vera'],3,3,6.730323314666748 3197,10964,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.61518615,ISDB,UVNRLSCOYBEJTM-YOILPLPUSA-N,"InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,12-13,15-16,19H,2-8,11,14,17-18H2,1H3/b10-9-,13-12-,16-15-",CCCCCCCC/C=C\C/C=C\C/C=C\CCO,C18H32O,,264.245315644,UVNRLSCOYBEJTM,Fatty acids,Fatty acyls,Fatty alcohols,Clibadium microcephalum,7604923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Clibadium'],['Clibadium microcephalum'],4,0,6.460744619369507 3198,10963,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.55599415,ISDB,KWKXNDCHNDYVRT-UHFFFAOYSA-N,"InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",CCCCCCCCCCCCc1ccccc1,C18H30,,246.23475096,KWKXNDCHNDYVRT,Polyketides,Aromatic polyketides,Catechols with side chains,Aloe vera,62303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe vera'],4,3,7.7239766120910645 3199,10961,109,Fatty acids,Fatty amides,Primary amides,0.7457829,ISDB,RVDPDXRDNDUJHE-UHFFFAOYSA-N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20)",CCCCCCCCCC=CCCCCCCC(N)=O,C18H35NO,,281.27186474,RVDPDXRDNDUJHE,Fatty acids,Fatty amides,Primary amides,Crinum latifolium,118200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum latifolium'],3,3,7.483131647109985 3200,10960,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.6985942,ISDB,PDUPMKGQCAJLPD-BIVLZKPYSA-N,"InChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-8-18-15)16-7-5-9-19(2)17(16)11-13/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16-,17-/m0/s1",C[C@H]1C[C@H](C[C@H]2CCCCN2)[C@@H]2CCCN(C)[C@H]2C1,C17H32N2,,264.256549024,PDUPMKGQCAJLPD,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Huperzia phlegmaria,888286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Phlegmariurus'],['Phlegmariurus phlegmaria'],3,0,5.794376850128174 3201,10960,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.6985942,ISDB,PDUPMKGQCAJLPD-BIVLZKPYSA-N,"InChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-8-18-15)16-7-5-9-19(2)17(16)11-13/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16-,17-/m0/s1",C[C@H]1C[C@H](C[C@H]2CCCCN2)[C@@H]2CCCN(C)[C@H]2C1,C17H32N2,,264.256549024,PDUPMKGQCAJLPD,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Phlegmariurus phlegmaria,888286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Phlegmariurus'],['Phlegmariurus phlegmaria'],3,0,5.794376850128174 3202,10958,863,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.64053386,ISDB,YAMVHWVYHOZWMH-FSVVYOEGSA-N,"InChI=1S/C32H48O5/c1-17-9-14-31-16-15-30(8)29(7)13-10-20-27(4,5)21(35-19(3)33)11-12-28(20,6)24(29)22-25(36-22)32(30,37-26(31)34)23(31)18(17)2/h17-18,20-25H,9-16H2,1-8H3/t17-,18+,20+,21+,22+,23-,24-,25+,28+,29-,30+,31+,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,,512.350174636,YAMVHWVYHOZWMH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bursera penicillata,841958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera penicillata'],4,3,8.062135457992554 3203,10958,863,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.64053386,ISDB,YAMVHWVYHOZWMH-FSVVYOEGSA-N,"InChI=1S/C32H48O5/c1-17-9-14-31-16-15-30(8)29(7)13-10-20-27(4,5)21(35-19(3)33)11-12-28(20,6)24(29)22-25(36-22)32(30,37-26(31)34)23(31)18(17)2/h17-18,20-25H,9-16H2,1-8H3/t17-,18+,20+,21+,22+,23-,24-,25+,28+,29-,30+,31+,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,,512.350174636,YAMVHWVYHOZWMH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bursera linanoe,921722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera linanoe'],4,3,8.062135457992554 3204,10957,-1,,,,0.6670318,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.6681272983551025 3205,10948,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.73652965,ISDB,OHHXAUDEKUJJIA-UHFFFAOYSA-N,"InChI=1S/C20H36N2OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)21-20(24)22-19(17)23/h3-16H2,1-2H3,(H2,21,22,23,24)",CCCCCCCCCCCCCCc1c(O)nc(S)nc1CC,C20H36N2OS,,352.254834772,OHHXAUDEKUJJIA,,,,Pergularia tomentosa,706034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Pergularia'],['Pergularia tomentosa'],4,0,6.946118593215942 3206,10948,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.73652965,ISDB,OHHXAUDEKUJJIA-UHFFFAOYSA-N,"InChI=1S/C20H36N2OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)21-20(24)22-19(17)23/h3-16H2,1-2H3,(H2,21,22,23,24)",CCCCCCCCCCCCCCc1c(O)nc(S)nc1CC,C20H36N2OS,,352.254834772,OHHXAUDEKUJJIA,,,,Glochidion eriocarpum,1051679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Glochidion'],['Glochidion eriocarpum'],4,0,6.946118593215942 3207,10948,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.73652965,ISDB,OHHXAUDEKUJJIA-UHFFFAOYSA-N,"InChI=1S/C20H36N2OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)21-20(24)22-19(17)23/h3-16H2,1-2H3,(H2,21,22,23,24)",CCCCCCCCCCCCCCc1c(O)nc(S)nc1CC,C20H36N2OS,,352.254834772,OHHXAUDEKUJJIA,,,,Tacca chantrieri,1061698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Taccaceae'],['Unknown'],['Tacca'],['Tacca chantrieri'],4,0,6.946118593215942 3208,10946,109,Fatty acids,Fatty amides,Primary amides,0.7383442,ISDB,RVDPDXRDNDUJHE-UHFFFAOYSA-N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20)",CCCCCCCCCC=CCCCCCCC(N)=O,C18H35NO,,281.27186474,RVDPDXRDNDUJHE,Fatty acids,Fatty amides,Primary amides,Crinum latifolium,118200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum latifolium'],3,3,7.453376770019531 3209,10945,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.7284179,ISDB,PDUPMKGQCAJLPD-BIVLZKPYSA-N,"InChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-8-18-15)16-7-5-9-19(2)17(16)11-13/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16-,17-/m0/s1",C[C@H]1C[C@H](C[C@H]2CCCCN2)[C@@H]2CCCN(C)[C@H]2C1,C17H32N2,,264.256549024,PDUPMKGQCAJLPD,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Huperzia phlegmaria,888286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Phlegmariurus'],['Phlegmariurus phlegmaria'],3,0,5.913671493530273 3210,10945,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.7284179,ISDB,PDUPMKGQCAJLPD-BIVLZKPYSA-N,"InChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-8-18-15)16-7-5-9-19(2)17(16)11-13/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16-,17-/m0/s1",C[C@H]1C[C@H](C[C@H]2CCCCN2)[C@@H]2CCCN(C)[C@H]2C1,C17H32N2,,264.256549024,PDUPMKGQCAJLPD,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Phlegmariurus phlegmaria,888286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Phlegmariurus'],['Phlegmariurus phlegmaria'],3,0,5.913671493530273 3211,10944,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42353642,ISDB,GVBDPCPLRGCHQH-QLRGAEDESA-N,"InChI=1S/C39H64O13/c1-20(2)6-5-7-25(43)23-12-14-37(3)24(23)8-9-28-38(37,4)13-10-21-16-22(11-15-39(21,28)19-42)49-36-34(32(47)30(45)27(18-41)51-36)52-35-33(48)31(46)29(44)26(17-40)50-35/h6,19,21-36,40-41,43-48H,5,7-18H2,1-4H3/t21?,22?,23?,24?,25?,26-,27-,28?,29-,30-,31+,32+,33-,34-,35+,36-,37?,38?,39?/m1/s1",CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3CCC12C,C39H64O13,,740.434692108,GVBDPCPLRGCHQH,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Gymnema sylvestre,809613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Gymnema'],['Gymnema sylvestre'],4,2,6.694145679473877 3212,10944,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42353642,ISDB,GVBDPCPLRGCHQH-QLRGAEDESA-N,"InChI=1S/C39H64O13/c1-20(2)6-5-7-25(43)23-12-14-37(3)24(23)8-9-28-38(37,4)13-10-21-16-22(11-15-39(21,28)19-42)49-36-34(32(47)30(45)27(18-41)51-36)52-35-33(48)31(46)29(44)26(17-40)50-35/h6,19,21-36,40-41,43-48H,5,7-18H2,1-4H3/t21?,22?,23?,24?,25?,26-,27-,28?,29-,30-,31+,32+,33-,34-,35+,36-,37?,38?,39?/m1/s1",CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3CCC12C,C39H64O13,,740.434692108,GVBDPCPLRGCHQH,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Gynostemma pentaphyllum,493377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Gomphogyneae'],['Gynostemma'],['Gynostemma pentaphyllum'],4,2,6.694145679473877 3213,10942,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-UHFFFAOYSA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)",CC(C)(O)C1CCC(C2CCC3(C)C4(C)CCC5C(C)(C)C(OC(=O)CC(=O)O)CCC5(C)C4CC(O)C23C)O1,C33H54O7,pos_1_1proton,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 3214,10942,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IGHWTCFJWYWSDY-BLMMWBQISA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20-,21-,22+,23+,24+,25+,30-,31+,32-,33+/m0/s1",CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 3215,10942,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-YCIWXRGLSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27-,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 3216,10942,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,HXAWGFOYXSOOBU-KJARQRAKSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27+,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1proton,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 3217,10941,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.5468144,ISDB,KWKXNDCHNDYVRT-UHFFFAOYSA-N,"InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",CCCCCCCCCCCCc1ccccc1,C18H30,,246.23475096,KWKXNDCHNDYVRT,Polyketides,Aromatic polyketides,Catechols with side chains,Aloe vera,62303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe vera'],3,3,6.687257528305054 3218,10940,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37594032,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.003761291503906 3219,10939,335,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 3220,10938,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35181868,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.907274723052979 3221,10937,3237,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.59383106,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.875324249267578 3222,10936,441,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.29190198,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Enterococcus faecium,594429.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Enterococcaceae'],['Unknown'],['Enterococcus'],['Enterococcus faecium'],0,3,2.66760790348053 3223,10936,441,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.29190198,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Staphylococcus aureus,1090496.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Staphylococcaceae'],['Unknown'],['Staphylococcus'],['Staphylococcus aureus'],0,3,2.66760790348053 3224,10934,1322,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4457229,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.282891631126404 3225,10933,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.25019094,ISDB,MPVDCZKYHJVWAC-LAETZAJFSA-N,"InChI=1S/C37H64O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(38)41-29-26-30(2)22-24-32-31(3)23-25-33-36(32,4)27-20-28-37(33,5)35(39)40-6/h26,32-33H,3,7-25,27-29H2,1-2,4-6H3/b30-26+/t32-,33+,36+,37-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCC,C37H64O4,,572.480460528,MPVDCZKYHJVWAC,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis var. communis,869358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],5,3,7.500763773918152 3226,10933,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.25019094,ISDB,MPVDCZKYHJVWAC-LAETZAJFSA-N,"InChI=1S/C37H64O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(38)41-29-26-30(2)22-24-32-31(3)23-25-33-36(32,4)27-20-28-37(33,5)35(39)40-6/h26,32-33H,3,7-25,27-29H2,1-2,4-6H3/b30-26+/t32-,33+,36+,37-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCC,C37H64O4,,572.480460528,MPVDCZKYHJVWAC,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],5,3,7.500763773918152 3227,10930,-1,,,,0.41558573,ISDB,SHLMROUFGOICOQ-GFIYGCGQSA-N,"InChI=1S/C32H42O6/c1-29(2)24-18-27(38-28(36)12-8-19-7-9-21(37-6)20(33)17-19)32(5)22-10-11-26(35)31(22,4)15-13-23(32)30(24,3)16-14-25(29)34/h7-9,12,14,16-17,22-24,26-27,33,35H,10-11,13,15,18H2,1-6H3/b12-8+/t22-,23-,24+,26-,27-,30-,31-,32+/m1/s1",COc1ccc(/C=C/C(=O)O[C@@H]2C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](O)CC[C@H]4[C@@]32C)cc1O,C32H42O6,,522.298139064,SHLMROUFGOICOQ,Terpenoids,Triterpenoids,Limonoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],3,0,4.66234290599823 3228,10927,2034,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.59659845,ISDB,HLDYQDWJHMXLIV-VMYAEPHQSA-N,"InChI=1S/C31H50O5/c1-17(2)18(3)15-23-29(8,34)24-19-9-10-21-27(6)13-12-22(32)26(4,5)20(27)11-14-28(21,7)30(19)16-35-31(24,36-23)25(30)33/h17,19-25,32-34H,3,9-16H2,1-2,4-8H3/t19-,20-,21-,22+,23-,24+,25-,27+,28-,29+,30+,31-/m1/s1",C=C(C[C@H]1O[C@]23OC[C@]4([C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@H]2[C@@]1(C)O)[C@H]3O)C(C)C,C31H50O5,,502.3658247,HLDYQDWJHMXLIV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Ampelozizyphus amazonicus,140513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Ampelozizipheae'],['Ampelozizyphus'],['Ampelozizyphus amazonicus'],4,3,7.886393785476685 3229,10913,1362,Terpenoids,Triterpenoids,Lupane triterpenoids,0.480388,ISDB,,,,,,,CEKIFRQTNCLAOR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9215519428253174 3230,10912,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.24118698,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,8.464747905731201 3231,10911,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47506705,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.400268197059631 3232,10906,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.35078615,ISDB,SFDCJCLBKPVTLL-CGZIXDKBSA-N,"InChI=1S/C38H60O11/c1-33(2)13-15-38(32(45)47-8)16-14-35(4)20(21(38)17-33)9-10-24-34(3)18-22(40)29(49-30-28(43)27(42)26(41)23(19-39)48-30)37(6,31(44)46-7)25(34)11-12-36(24,35)5/h9,21-30,39-43H,10-19H2,1-8H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,34+,35+,36+,37-,38-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C38H60O11,,692.41356274,SFDCJCLBKPVTLL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],3,1,4.903144598007202 3233,10900,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,OIWXAKXWTNBOBE-VHUJVSOESA-N,"InChI=1S/C37H54O4/c1-24(2)11-8-12-25(3)13-9-14-26(4)15-10-21-37(7)22-20-31-34-32(29-16-18-30(38)19-17-29)23-33(39)40-36(34)28(6)27(5)35(31)41-37/h16-19,24-26,32,38H,8-15,20-23H2,1-7H3/t25-,26-,32+,37+/m0/s1",Cc1c(C)c2c(c3c1O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC3)[C@@H](c1ccc(O)cc1)CC(=O)O2,C37H54O4,pos_1_minus1proton1calcium,562.402210208,OIWXAKXWTNBOBE,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,1,8.5 3234,10899,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4672881,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.369152426719666 3235,10896,1334,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.76092315,ISDB,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,2,9.043692588806152 3236,10895,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.49437618,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.47750473022461 3237,10894,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.55515283,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.720611333847046 3238,10892,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.43495375,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.73981499671936 3239,10892,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.43495375,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.73981499671936 3240,10891,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 3241,10890,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.8392574,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,7.857029676437378 3242,10888,-1,,,,0.0,MS1_match,ZOXDAGKKDOEJBW-UHFFFAOYSA-N,"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C,C39H54O5,pos_1_minus1proton1iron,602.397124828,ZOXDAGKKDOEJBW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia,872135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 3243,10888,-1,,,,0.0,MS1_match,ZOXDAGKKDOEJBW-UHFFFAOYSA-N,"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C,C39H54O5,pos_1_minus1proton1iron,602.397124828,ZOXDAGKKDOEJBW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia var. alba,7057128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 3244,10888,-1,,,,0.0,MS1_match,ZOXDAGKKDOEJBW-UHFFFAOYSA-N,"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C,C39H54O5,pos_1_minus1proton1iron,602.397124828,ZOXDAGKKDOEJBW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia,872135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 3245,10888,-1,,,,0.0,MS1_match,ZOXDAGKKDOEJBW-UHFFFAOYSA-N,"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C,C39H54O5,pos_1_minus1proton1iron,602.397124828,ZOXDAGKKDOEJBW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia var. alba,7057128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 3246,10886,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.25274724,ISDB,CRLGWYVKIHJOAY-OYVOGKBHSA-N,"InChI=1S/C42H60O8/c1-37(2)18-20-42(36(46)49-9)21-19-40(5)27(28(42)23-37)12-14-33-38(3)24-29(44)35(39(4,25-43)32(38)16-17-41(33,40)6)50-34(45)15-11-26-10-13-30(47-7)31(22-26)48-8/h10-13,15,22,28-29,32-33,35,43-44H,14,16-21,23-25H2,1-9H3/b15-11-/t28-,29+,32+,33+,35-,38-,39+,40+,41+,42-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(=O)/C=C\c5ccc(OC)c(OC)c5)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C42H60O8,,692.42881888,CRLGWYVKIHJOAY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Melaleuca leucadendra,1033382.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Melaleuca'],['Melaleuca leucadendra'],3,1,4.51098895072937 3247,10882,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5908697,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.863478899002075 3248,10878,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5216785,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.586714029312134 3249,10878,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5216785,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.586714029312134 3250,10873,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.54625314,ISDB,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula alleghaniensis,452595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alleghaniensis'],7,3,10.685012578964233 3251,10873,877,Terpenoids,Triterpenoids,Lupane triterpenoids,0.54625314,ISDB,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,3,10.685012578964233 3252,10871,2237,Terpenoids,Sesquiterpenoids,Apotirucallane triterpenoids,0.29261547,ISDB,HKVOPFDXIGAKHQ-LTYLRRHLSA-N,"InChI=1S/C24H32O5/c1-13(25)29-20-18(28)19-21(2,3)17(27)8-10-23(19,5)15-7-9-22(4)12-14(26)11-16(22)24(15,20)6/h8,10-11,15,18-20,28H,7,9,12H2,1-6H3/t15-,18-,19-,20-,22+,23-,24-/m1/s1",CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C,C24H32O5,,400.224974124,HKVOPFDXIGAKHQ,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],3,3,5.670461893081665 3253,10866,-1,,,,0.0,MS1_match,CBXQOLAGWKNVAH-URYCBDTRSA-N,"InChI=1S/C38H60O11/c1-19-11-14-38(32(45)47-18-23-26(40)27(41)28(42)31(44)49-23)16-15-35(6)21(29(38)37(19,8)46)9-10-25-34(5)17-22(48-20(2)39)30(43)33(3,4)24(34)12-13-36(25,35)7/h9,19,22-31,40-44,46H,10-18H2,1-8H3/t19-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31-,34+,35-,36-,37-,38+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@](C(=O)OC[C@H]6O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]6O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O,C38H60O11,pos_1_minus1proton1iron,692.41356274,CBXQOLAGWKNVAH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus cochinchinensis,538507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus cochinchinensis'],6,0,6.0 3254,10861,735,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4651835,ISDB,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.360733985900879 3255,10860,103,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.31175852,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],4,0,5.247034072875977 3256,10858,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.80359805,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.214392185211182 3257,10858,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.80359805,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.214392185211182 3258,10856,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5029773,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.511909246444702 3259,10855,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7711527,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],4,3,8.5846107006073 3260,10855,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7711527,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,8.5846107006073 3261,10855,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7711527,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio cinerascens,637393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Packera'],['Packera tomentosa'],4,3,8.5846107006073 3262,10855,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7711527,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Origanum dubium,61897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum majorana'],4,3,8.5846107006073 3263,10855,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7711527,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Salvia fruticosa,287408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia fruticosa'],4,3,8.5846107006073 3264,10855,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7711527,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Origanum majorana,61897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum majorana'],4,3,8.5846107006073 3265,10855,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7711527,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Salvia triloba,287408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia fruticosa'],4,3,8.5846107006073 3266,10851,23,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.33630848,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,1,7.845233917236328 3267,10850,-1,,,,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_2MNa,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3268,10849,-1,,,,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1sodium,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3269,10848,-1,,,,0.455623,ISDB,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,9.822492003440857 3270,10845,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.58675194,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.847007751464844 3271,10843,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.6351833,ISDB,JZLATMHVGKVQOA-UHFFFAOYSA-N,"InChI=1S/C24H28O8/c1-10-18(27)16(11(2)25)20(29)14(22(10)31-6)9-15-21(30)17(12(3)26)19(28)13-7-8-24(4,5)32-23(13)15/h27-30H,7-9H2,1-6H3",COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c2c1OC(C)(C)CC2,C24H28O8,,444.178417856,JZLATMHVGKVQOA,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],3,3,7.040733098983765 3272,10842,-1,,,,0.49705306,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.98821222782135 3273,10841,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7112685,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.345073938369751 3274,10841,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7112685,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.345073938369751 3275,10838,-1,,,,0.55675673,ISDB,DBCAVZSSFGIHQZ-UHFFFAOYSA-N,"InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3",CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1,C30H48O,,424.370516156,DBCAVZSSFGIHQZ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,10.22702693939209 3276,10835,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7936638,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.674655199050903 3277,10834,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6830945,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.232378005981445 3278,10831,57,Terpenoids,Steroids,Cardenolides,0.3955347,ISDB,DNLXAKKKWMFLON-WPXBXLIQSA-N,"InChI=1S/C35H52O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,16-17,19-25,27-32,36,38,40-43H,3-10,12-15H2,1-2H3/t17-,19+,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31+,32+,33-,34-,35+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H52O13,,680.3407917239999,DNLXAKKKWMFLON,Terpenoids,Steroids,Cardenolides,Strophanthus boivinii,669222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Nerieae'],['Strophanthus'],['Strophanthus boivinii'],4,3,7.082138776779175 3279,10830,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7053274,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.321309566497803 3280,10828,-1,,,,0.9044625,ISDB,PPCVNZFMCABQCL-KXESGEQTSA-N,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC,C42H78NO8P,,755.546505086,PPCVNZFMCABQCL,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,0,4.617850065231323 3281,10828,-1,,,,0.9044625,ISDB,PPCVNZFMCABQCL-KXESGEQTSA-N,"InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC,C42H78NO8P,,755.546505086,PPCVNZFMCABQCL,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,0,4.617850065231323 3282,10827,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.6895463,ISDB,,,,,,,DMXXRTAVQXGQOV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7581851482391357 3283,10826,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.6376137,ISDB,JZLATMHVGKVQOA-UHFFFAOYSA-N,"InChI=1S/C24H28O8/c1-10-18(27)16(11(2)25)20(29)14(22(10)31-6)9-15-21(30)17(12(3)26)19(28)13-7-8-24(4,5)32-23(13)15/h27-30H,7-9H2,1-6H3",COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c2c1OC(C)(C)CC2,C24H28O8,,444.178417856,JZLATMHVGKVQOA,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],3,3,7.05045485496521 3284,10825,1258,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3285,10824,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 3286,10824,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 3287,10823,1,Terpenoids,Steroids,Monoalkylresorcinols,0.33868685,ISDB,RFXJKCXWJAFPEB-UHFFFAOYSA-N,"InChI=1S/C21H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(17-19)26-27(23,24)25/h16-18,22H,2-15H2,1H3,(H,23,24,25)",CCCCCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1,C21H36O5S,,400.228345252,RFXJKCXWJAFPEB,Polyketides,Alkylresorcinols,Monoalkylresorcinols,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.8547474145889282 3288,10822,-1,,,,0.5445632,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,8.178252696990967 3289,10822,-1,,,,0.5445632,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,8.178252696990967 3290,10821,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7888876,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.655550479888916 3291,10820,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.83772725,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.850908994674683 3292,10818,2959,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6053912,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.921564817428589 3293,10817,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5526674,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.71066951751709 3294,10817,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5526674,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,8.71066951751709 3295,10817,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5526674,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.71066951751709 3296,10817,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5526674,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.71066951751709 3297,10817,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5526674,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],5,3,8.71066951751709 3298,10816,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6501243,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.100497245788574 3299,10816,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6501243,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.100497245788574 3300,10815,1272,,,,0.7016521,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8066084384918213 3301,10813,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54849374,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.69397497177124 3302,10813,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54849374,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.69397497177124 3303,10812,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7171891,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.368756294250488 3304,10812,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7171891,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.368756294250488 3305,10811,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.53622246,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,11.644889831542969 3306,10807,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.5052761,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.521104335784912 3307,10806,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6035291,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.914116382598877 3308,10805,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.80781066,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.231242656707764 3309,10805,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.80781066,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.231242656707764 3310,10804,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.79538006,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.681520223617554 3311,10803,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8341577,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.836630821228027 3312,10800,988,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5482167,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.692866802215576 3313,10799,-1,,,,0.6448996,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.579598426818848 3314,10799,-1,,,,0.6448996,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.579598426818848 3315,10798,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.68640673,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],3,3,7.245626926422119 3316,10796,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.4102302,ISDB,FZNYZIIFIIKWRM-OLYZYIJMSA-N,"InChI=1S/C40H54O4/c1-25-11-17-31-37(3,4)19-9-21-39(31,7)29(25)15-13-27-23-43-35(41)33(27)34-28(24-44-36(34)42)14-16-30-26(2)12-18-32-38(5,6)20-10-22-40(30,32)8/h13-16,29-32H,1-2,9-12,17-24H2,3-8H3/b15-13+,16-14+/t29-,30-,31-,32-,39+,40+/m0/s1",C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C(C2=C(/C=C/[C@H]3C(=C)CC[C@H]4C(C)(C)CCC[C@]34C)COC2=O)C(=O)OC1,C40H54O4,,598.4022102079999,FZNYZIIFIIKWRM,Terpenoids,Sesquiterpenoids,,Alpinia pahangensis,3945930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia pahangensis'],4,0,5.6409207582473755 3317,10794,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.6928624,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],3,3,7.271449565887451 3318,10788,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5997251,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.898900508880615 3319,10787,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6451324,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.080529689788818 3320,10787,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6451324,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.080529689788818 3321,10786,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7216835,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.3867340087890625 3322,10786,691,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7216835,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.3867340087890625 3323,10785,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.587873,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.851491928100586 3324,10785,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.587873,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.851491928100586 3325,10784,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.80387557,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.2155022621154785 3326,10784,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.80387557,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.2155022621154785 3327,10781,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54622483,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.68489933013916 3328,10780,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.39146164,ISDB,FZNYZIIFIIKWRM-OLYZYIJMSA-N,"InChI=1S/C40H54O4/c1-25-11-17-31-37(3,4)19-9-21-39(31,7)29(25)15-13-27-23-43-35(41)33(27)34-28(24-44-36(34)42)14-16-30-26(2)12-18-32-38(5,6)20-10-22-40(30,32)8/h13-16,29-32H,1-2,9-12,17-24H2,3-8H3/b15-13+,16-14+/t29-,30-,31-,32-,39+,40+/m0/s1",C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C(C2=C(/C=C/[C@H]3C(=C)CC[C@H]4C(C)(C)CCC[C@]34C)COC2=O)C(=O)OC1,C40H54O4,,598.4022102079999,FZNYZIIFIIKWRM,Terpenoids,Sesquiterpenoids,,Alpinia pahangensis,3945930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia pahangensis'],4,0,5.565846562385559 3329,10779,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8323331,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.82933235168457 3330,10775,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5721318,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.788527250289917 3331,10772,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.25930968,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.537238717079163 3332,10771,-1,,,,0.5907514,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.363005638122559 3333,10770,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.70745903,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,10.329836130142212 3334,10770,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.70745903,ISDB,VLXDPFLIRFYIME-BTFPBAQTSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1",CC1=CC[C@H]2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Dendropanax trifidus,412642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Dendropanax'],['Dendropanax trifidus'],6,3,10.329836130142212 3335,10769,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.68989944,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],3,3,7.2595977783203125 3336,10768,1700,Terpenoids,Diterpenoids,Daphnane diterpenoids,0.76139516,ISDB,AOXOPFGLBGVVAA-HMJGELIXSA-N,"InChI=1S/C34H40O10/c1-18(2)31-16-20(4)33-23-15-19(3)26(41-28(37)21-11-7-5-8-12-21)32(23,40)29(38)30(39,17-35)25(36)24(33)27(31)42-34(43-31,44-33)22-13-9-6-10-14-22/h5-14,19-20,23-27,29,35-36,38-40H,1,15-17H2,2-4H3/t19-,20+,23+,24-,25-,26-,27+,29+,30+,31+,32+,33-,34+/m0/s1",C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](c5ccccc5)(O[C@@H]1[C@@H]3[C@H](O)[C@](O)(CO)[C@@H](O)[C@@]1(O)[C@H]4C[C@H](C)[C@@H]1OC(=O)c1ccccc1)O2,C34H40O10,,608.26214748,AOXOPFGLBGVVAA,Terpenoids,Diterpenoids,Daphnane diterpenoids,Daphne genkwa,5516227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphne'],['Daphne genkwa'],3,3,7.545580625534058 3337,10761,1272,,,,0.7060875,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.824350118637085 3338,10760,296,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34976432,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.899057269096375 3339,10759,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5219809,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.587923526763916 3340,10758,-1,,,,0.369483,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.477931976318359 3341,10758,-1,,,,0.369483,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,0,6.477931976318359 3342,10756,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.55472046,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.718881845474243 3343,10755,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.27356628,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.594265103340149 3344,10754,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33622125,ISDB,LBHNBCSSFWFWIR-OSTWSGHESA-N,"InChI=1S/C21H30O5/c1-13(2)20-9-10-21(26-25-20)14(12-20)15(22)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h12-13,16H,6-11H2,1-5H3/t16-,18+,19-,20+,21-/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3,C21H30O5,,362.20932406,LBHNBCSSFWFWIR,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.844884991645813 3345,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.547966003417969 3346,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.547966003417969 3347,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.547966003417969 3348,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.547966003417969 3349,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.547966003417969 3350,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.547966003417969 3351,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.547966003417969 3352,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.547966003417969 3353,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.547966003417969 3354,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.547966003417969 3355,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.547966003417969 3356,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.547966003417969 3357,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.547966003417969 3358,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.547966003417969 3359,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.547966003417969 3360,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.547966003417969 3361,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.547966003417969 3362,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.547966003417969 3363,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.547966003417969 3364,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.547966003417969 3365,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.547966003417969 3366,10753,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5119915,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.547966003417969 3367,10752,-1,,,,0.0,MS1_match,ZOXDAGKKDOEJBW-UHFFFAOYSA-N,"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C,C39H54O5,pos_1_minus1proton1iron,602.397124828,ZOXDAGKKDOEJBW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia,872135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 3368,10752,-1,,,,0.0,MS1_match,ZOXDAGKKDOEJBW-UHFFFAOYSA-N,"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C,C39H54O5,pos_1_minus1proton1iron,602.397124828,ZOXDAGKKDOEJBW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia var. alba,7057128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 3369,10752,-1,,,,0.0,MS1_match,ZOXDAGKKDOEJBW-UHFFFAOYSA-N,"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C,C39H54O5,pos_1_minus1proton1iron,602.397124828,ZOXDAGKKDOEJBW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia,872135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 3370,10752,-1,,,,0.0,MS1_match,ZOXDAGKKDOEJBW-UHFFFAOYSA-N,"InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C,C39H54O5,pos_1_minus1proton1iron,602.397124828,ZOXDAGKKDOEJBW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia var. alba,7057128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 3371,10751,57,Terpenoids,Steroids,Cardenolides,0.4759758,ISDB,,,,,,,UCBOIONCORCNMF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9039032459259033 3372,10749,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.28836924,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.65347695350647 3373,10748,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7371803,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.948721170425415 3374,10747,296,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33631158,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.845246315002441 3375,10747,296,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33631158,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.845246315002441 3376,10746,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49812096,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.492483854293823 3377,10746,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49812096,ISDB,JYDNKGUBLIKNAM-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3",C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.492483854293823 3378,10746,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49812096,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.492483854293823 3379,10746,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.49812096,ISDB,JYDNKGUBLIKNAM-CNRMHUMKSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,JYDNKGUBLIKNAM,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,3,10.492483854293823 3380,10745,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3381,10745,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3382,10745,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3383,10745,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3384,10745,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3385,10743,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3386,10742,-1,,,,0.3311753,ISDB,XSTHELSWBAYTOI-VBLLDVAJSA-N,"InChI=1S/C46H62O9/c1-22-9-11-30-41(3,4)32(49)13-15-43(30,7)45(22)19-26-28(47)17-24-21-52-40-35-25(36(51)39(53-40)34(24)37(26)54-45)18-29(48)27-20-46(55-38(27)35)23(2)10-12-31-42(5,6)33(50)14-16-44(31,46)8/h17-18,22-23,30-33,36,39-40,47-51H,9-16,19-21H2,1-8H3/t22-,23-,30+,31+,32-,33-,36-,39-,40-,43+,44+,45-,46-/m1/s1",C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)[C@@H]1OCc2cc(O)c4c(c2[C@@H](O1)[C@@H]3O)O[C@]1(C4)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C,C46H62O9,,758.439383564,XSTHELSWBAYTOI,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Stachybotrys chartarum,735919.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Unknown'],['Unknown'],['Stachybotrys'],['Stachybotrys chartarum'],1,0,2.324701189994812 3387,10740,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.3779233,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,6.011693239212036 3388,10738,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton1methanol,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,8.0 3389,10738,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton1methanol,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,8.0 3390,10737,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4552196,ISDB,DGWVBOLRGRYBRU-DLRFIJRSSA-N,"InChI=1S/C30H50O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-23,25,31,33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O3,,458.37599546,DGWVBOLRGRYBRU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.320878386497498 3391,10736,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6089743,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.9358971118927 3392,10733,796,,,,0.5244376,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.097750425338745 3393,10731,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.41421607,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.156864285469055 3394,10729,-1,,,,0.39403677,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,7.576147079467773 3395,10728,255,Terpenoids,Triterpenoids,Ergostane steroids,0.37102214,ISDB,QQWIUBKPPNCYMY-JHYKCHHWSA-N,"InChI=1S/C28H40O4/c1-15-18-10-12-27(5)21(26(18,4)14-20(29)22(15)30)8-7-19-17-13-25(2,3)11-9-16(17)23(31)24(32)28(19,27)6/h7,16-18,21,24,30,32H,8-14H2,1-6H3/t16-,17+,18-,21+,24-,26-,27+,28-/m0/s1",CC1=C(O)C(=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)[C@H](O)[C@@]4(C)[C@]3(C)CC[C@@H]12,C28H40O4,,440.29265976,QQWIUBKPPNCYMY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Physena madagascariensis,684979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Physenaceae'],['Unknown'],['Physena'],['Physena madagascariensis'],3,2,5.4840885400772095 3396,10726,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,DOAJFZJEGHSYOI-PJWXJLGLSA-N,"InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21-,22-,23-,24-,27+,28-,29-,30+/m1/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O4,pos_1_1sodium,476.386560144,DOAJFZJEGHSYOI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 3397,10726,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,WXLOZJGXIWMQEC-RMEASJAKSA-N,"InChI=1S/C30H52O4/c1-19(2)10-9-13-29(8,33)30(34)17-16-28(7)24(30)20(31)18-22-26(5)14-12-23(32)25(3,4)21(26)11-15-27(22,28)6/h10,20-24,31-34H,9,11-18H2,1-8H3/t20-,21+,22-,23-,24-,26+,27-,28-,29+,30-/m1/s1",CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,pos_1_1sodium,476.386560144,WXLOZJGXIWMQEC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 3398,10726,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,UTJGQZHPXQZMFT-GBNJKKLKSA-N,"InChI=1S/C30H52O4/c1-24(2)19-11-15-27(6)20(26(19,5)14-12-22(24)31)9-10-21-28(27,7)17-18-30(21,33)29(8)16-13-23(34-29)25(3,4)32/h19-23,31-33H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,26-,27+,28+,29-,30+/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O4,pos_1_1sodium,476.386560144,UTJGQZHPXQZMFT,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 3399,10726,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,ZPWXYWSEQUKIHA-RVVBLXDBSA-N,"InChI=1S/C30H52O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-24,31-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22-,23+,24+,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,pos_1_1sodium,476.386560144,ZPWXYWSEQUKIHA,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 3400,10726,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,CZGYKNXFDCANHD-DSNMAYEBSA-N,"InChI=1S/C30H52O4/c1-18(2)20(31)10-16-30(8,34)19-9-14-29(7)25(19)21(32)17-23-27(5)13-12-24(33)26(3,4)22(27)11-15-28(23,29)6/h19-25,31-34H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23-,24+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,pos_1_1sodium,476.386560144,CZGYKNXFDCANHD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 3401,10726,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,WXLOZJGXIWMQEC-RMEASJAKSA-N,"InChI=1S/C30H52O4/c1-19(2)10-9-13-29(8,33)30(34)17-16-28(7)24(30)20(31)18-22-26(5)14-12-23(32)25(3,4)21(26)11-15-27(22,28)6/h10,20-24,31-34H,9,11-18H2,1-8H3/t20-,21+,22-,23-,24-,26+,27-,28-,29+,30-/m1/s1",CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,pos_1_1sodium,476.386560144,WXLOZJGXIWMQEC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 3402,10726,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,DOAJFZJEGHSYOI-PJWXJLGLSA-N,"InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21-,22-,23-,24-,27+,28-,29-,30+/m1/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O4,pos_1_1sodium,476.386560144,DOAJFZJEGHSYOI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 3403,10725,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5614206,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,2,7.24568247795105 3404,10724,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6508459,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,3,8.103383541107178 3405,10724,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6508459,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,3,8.103383541107178 3406,10724,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6508459,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,3,8.103383541107178 3407,10724,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6508459,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,3,8.103383541107178 3408,10724,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6508459,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,3,8.103383541107178 3409,10724,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6508459,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,3,8.103383541107178 3410,10724,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6508459,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,8.103383541107178 3411,10719,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.2731167,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.592466831207275 3412,10717,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.39674774,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.08699095249176 3413,10717,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.39674774,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,3,10.08699095249176 3414,10715,321,Terpenoids,Tryptophan alkaloids,Agarofuran sesquiterpenoids,0.2833999,ISDB,DRSUFQXLYTXQGX-GKRDPSGZSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26+,27+,28+,29+,30+,34+,35+/m0/s1",CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@H](C)[C@]23OC(C)(C)[C@H](C[C@@H](OC(=O)c4ccccc4)[C@]12COC(=O)c1ccccc1)[C@H]3OC(C)=O,C35H40O11,,636.2570621,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Microtropis fokienensis,1015845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis fokienensis'],4,3,6.633599638938904 3415,10715,321,Terpenoids,Tryptophan alkaloids,Agarofuran sesquiterpenoids,0.2833999,ISDB,DRSUFQXLYTXQGX-HDWLWNEUSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2ccccc2)[C@H]1OC(C)=O)[C@H]3OC(C)=O,C35H40O11,,636.2570620999999,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Microtropis japonica,828316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis japonica'],4,3,6.633599638938904 3416,10715,321,Terpenoids,Tryptophan alkaloids,Agarofuran sesquiterpenoids,0.2833999,ISDB,DRSUFQXLYTXQGX-HDWLWNEUSA-N,"InChI=1S/C35H40O11/c1-20-17-27(42-21(2)36)30(44-23(4)38)34(19-41-31(39)24-13-9-7-10-14-24)28(45-32(40)25-15-11-8-12-16-25)18-26-29(43-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2ccccc2)[C@H]1OC(C)=O)[C@H]3OC(C)=O,C35H40O11,,636.2570620999999,DRSUFQXLYTXQGX,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Elaeodendron buchananii,6092546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron buchananii'],4,3,6.633599638938904 3417,10711,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5032652,ISDB,BRUOADCBAUEUIC-UHFFFAOYSA-N,"InChI=1S/C38H54O10/c1-9-23(6)31-25(8)32(46-35(41)20(2)3)33(40)37(48-31)18-28-17-27(47-37)14-13-22(5)15-21(4)11-10-12-26-19-44-34-30(39)24(7)16-29(36(42)45-28)38(26,34)43/h9-13,16,20-21,25,27-34,39-40,43H,14-15,17-19H2,1-8H3",CC=C(C)C1OC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)C(O)C(OC(=O)C(C)C)C1C,C38H54O10,,670.371697928,BRUOADCBAUEUIC,Polyketides,Macrolides,Avermectins,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,0,2.0130608081817627 3418,10711,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5032652,ISDB,BRUOADCBAUEUIC-MLYFKYPGSA-N,"InChI=1S/C38H54O10/c1-9-23(6)31-25(8)32(46-35(41)20(2)3)33(40)37(48-31)18-28-17-27(47-37)14-13-22(5)15-21(4)11-10-12-26-19-44-34-30(39)24(7)16-29(36(42)45-28)38(26,34)43/h9-13,16,20-21,25,27-34,39-40,43H,14-15,17-19H2,1-8H3/b11-10+,22-13+,23-9+,26-12+/t21-,25+,27+,28-,29-,30+,31+,32-,33+,34?,37-,38+/m0/s1",C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\COC5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1C,C38H54O10,,670.371697928,BRUOADCBAUEUIC,Polyketides,Macrolides,Avermectins,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,2.0130608081817627 3419,10710,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.36439452,ISDB,BOSPWDGVNSGRFD-KLZLLWCWSA-N,"InChI=1S/C32H46O5/c1-17(2)18(3)27(35)28(36)20(5)26-24(37-21(6)33)15-30(8)25-10-9-22-19(4)23(34)11-12-31(22)16-32(25,31)14-13-29(26,30)7/h11-12,17,19-20,22,24-26,28,36H,3,9-10,13-16H2,1-2,4-8H3/t19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1",C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C,C32H46O5,,510.334524572,BOSPWDGVNSGRFD,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],4,2,6.457578063011169 3420,10709,-1,,,,0.55652016,ISDB,MIOOAVYFDWMZAD-LJAQVGFWSA-N,"InChI=1S/C29H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(33)23-26(32)28-25(31)21-24(30)22-27(28)34-29/h21-22,30-31,33H,2-20,23H2,1H3/t29-/m0/s1",CCCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1,C29H48O5,,476.3501746359999,MIOOAVYFDWMZAD,Polyketides,,,Antidesma membranaceum,3908189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Antidesmateae'],['Antidesma'],['Antidesma membranaceum'],4,0,6.226080656051636 3421,10703,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.22422548,ISDB,CRLGWYVKIHJOAY-OYVOGKBHSA-N,"InChI=1S/C42H60O8/c1-37(2)18-20-42(36(46)49-9)21-19-40(5)27(28(42)23-37)12-14-33-38(3)24-29(44)35(39(4,25-43)32(38)16-17-41(33,40)6)50-34(45)15-11-26-10-13-30(47-7)31(22-26)48-8/h10-13,15,22,28-29,32-33,35,43-44H,14,16-21,23-25H2,1-9H3/b15-11-/t28-,29+,32+,33+,35-,38-,39+,40+,41+,42-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(=O)/C=C\c5ccc(OC)c(OC)c5)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C42H60O8,,692.42881888,CRLGWYVKIHJOAY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Melaleuca leucadendra,1033382.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Melaleuca'],['Melaleuca leucadendra'],3,1,4.396901905536652 3422,10702,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.48157623,ISDB,QDMMUVWIKPTNHN-GRDCQMQTSA-N,"InChI=1S/C30H44O5/c1-18(2)24-9-8-22-16-30(17-25(22)28(24,6)12-11-26(32)33)20(4)10-13-29(30,7)21(5)15-23(31)14-19(3)27(34)35/h8,19,21,24-25H,1,4,9-17H2,2-3,5-7H3,(H,32,33)(H,34,35)/t19-,21-,24+,25-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2C[C@]3(C[C@H]2[C@@]1(C)CCC(=O)O)C(=C)CC[C@@]3(C)[C@H](C)CC(=O)C[C@@H](C)C(=O)O,C30H44O5,,484.318874508,QDMMUVWIKPTNHN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.426304936408997 3423,10701,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.29407856,ISDB,SFDCJCLBKPVTLL-CGZIXDKBSA-N,"InChI=1S/C38H60O11/c1-33(2)13-15-38(32(45)47-8)16-14-35(4)20(21(38)17-33)9-10-24-34(3)18-22(40)29(49-30-28(43)27(42)26(41)23(19-39)48-30)37(6,31(44)46-7)25(34)11-12-36(24,35)5/h9,21-30,39-43H,10-19H2,1-8H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,34+,35+,36+,37-,38-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C38H60O11,,692.41356274,SFDCJCLBKPVTLL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],3,1,4.6763142347335815 3424,10698,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.46471503,ISDB,ZNHPQEDTLCHPAZ-JDEACCKASA-N,"InChI=1S/C37H58O9/c1-21(39)45-29-28(41)24(40)19-44-30(29)46-27-11-12-33(4)25(34(27,5)20-38)10-13-36(7)26(33)9-8-22-23-18-32(2,3)14-16-37(23,31(42)43)17-15-35(22,36)6/h8,23-30,38,40-41H,9-20H2,1-7H3,(H,42,43)/t23-,24-,25+,26+,27-,28-,29+,30-,33-,34-,35+,36+,37-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@H](O)[C@@H]1O,C37H58O9,,646.4080834360001,ZNHPQEDTLCHPAZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus lawii,759796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus lawii'],3,1,5.35886013507843 3425,10698,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.46471503,ISDB,ZNHPQEDTLCHPAZ-JDEACCKASA-N,"InChI=1S/C37H58O9/c1-21(39)45-29-28(41)24(40)19-44-30(29)46-27-11-12-33(4)25(34(27,5)20-38)10-13-36(7)26(33)9-8-22-23-18-32(2,3)14-16-37(23,31(42)43)17-15-35(22,36)6/h8,23-30,38,40-41H,9-20H2,1-7H3,(H,42,43)/t23-,24-,25+,26+,27-,28-,29+,30-,33-,34-,35+,36+,37-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@H](O)[C@@H]1O,C37H58O9,,646.4080834360001,ZNHPQEDTLCHPAZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus polyphyllus,69050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus polyphyllus'],3,1,5.35886013507843 3426,10696,161,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.66322565,ISDB,PCLDEDSUWNZZDJ-BDBJVFIPSA-N,"InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16+,17-,19-,20+/m1/s1",C=C1CC[C@H]2[C@@]3(C)C[C@H]3CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O2,,302.2245802,PCLDEDSUWNZZDJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,11.152902603149414 3427,10695,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.22172466,ISDB,ZDWOZEMRGOSWOF-ZTTFOMCMSA-N,"InChI=1S/C20H26O3/c1-10(2)12-8-11-6-7-15-19(3,4)17(22)16-18(23-16)20(15,5)13(11)9-14(12)21/h8-10,15-16,18,21H,6-7H2,1-5H3/t15-,16-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)[C@H]3O[C@H]3C(=O)C(C)(C)[C@@H]1CC2,C20H26O3,,314.188194692,ZDWOZEMRGOSWOF,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],3,3,5.386898636817932 3428,10694,-1,,,,0.6443539,ISDB,POIFFJRCDYNIQD-VLALRVFUSA-N,"InChI=1S/C30H42O6/c1-7-18(4)27(33)36-26-23-25(24(32)19(5)21-11-12-22(31)29(21,26)6)35-28(34)30(23)15-13-20(14-16-30)10-8-9-17(2)3/h7,9,11-13,19,21,23-26,28,32,34H,8,10,14-16H2,1-6H3/b18-7-/t19-,21-,23-,24+,25-,26-,28+,29-,30-/m0/s1",C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](O[C@@H](O)[C@]23CC=C(CCC=C(C)C)CC3)[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C,C30H42O6,,498.298139064,POIFFJRCDYNIQD,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Tetraneuris ivesiana,3900034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Tetraneuris'],['Tetraneuris ivesiana'],3,0,5.577415704727173 3429,10693,-1,,,,0.81106997,ISDB,CDBDDJJFIHXISK-GRNDGOIUSA-N,"InChI=1S/C30H40O4/c1-14(2)17-20-18-19(26(34)30(20)12-11-29(15(3)4)13-16(29)30)23(32)25-27(5,6)9-8-10-28(25,7)21(18)24(33)22(17)31/h14-16,23,25,32-33H,8-13H2,1-7H3/t16-,23-,25-,28+,29+,30-/m0/s1",CC(C)C1=C2C3=C(C(=O)[C@]24CC[C@]2(C(C)C)C[C@H]42)[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=C(O)C1=O,C30H40O4,,464.29265976,CDBDDJJFIHXISK,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,10.244279861450195 3430,10687,644,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.26933622,ISDB,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.57734489440918 3431,10685,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.6003422,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.901368856430054 3432,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3433,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3434,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 3435,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3436,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3437,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 3438,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3439,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3440,10683,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_2MNa,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3441,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3442,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3443,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3444,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 3445,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 3446,10683,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_2MNa,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3447,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3448,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3449,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3450,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3451,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3452,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 3453,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_2MNa,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 3454,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3455,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3456,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3457,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3458,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3459,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 3460,10683,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_2MNa,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3461,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3462,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 3463,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3464,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3465,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3466,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3467,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3468,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3469,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3470,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3471,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3472,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_2MNa,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 3473,10683,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_2MNa,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 3474,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3475,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3476,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 3477,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3478,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3479,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 3480,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3481,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3482,10682,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3483,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3484,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3485,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3486,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 3487,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 3488,10682,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3489,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3490,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3491,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3492,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3493,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3494,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 3495,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1sodium,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 3496,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3497,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3498,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3499,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3500,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3501,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus samydoides,5530399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus samydoides'],8,0,8.0 3502,10682,-1,,,,0.0,MS1_match,MIJYXULNPSFWEK-GTOFXWBISA-N,"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O3,pos_1_1sodium,456.3603453959999,MIJYXULNPSFWEK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3503,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3504,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 3505,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3506,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3507,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 3508,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 3509,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 3510,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3511,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 3512,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 3513,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 3514,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-IRJRXSSQSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_1sodium,456.360345396,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 3515,10682,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_1sodium,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 3516,10681,-1,,,,0.56630707,ISDB,LEDIWWJKWAMGLD-UHFFFAOYSA-N,"InChI=1S/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3",CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC,C24H50S2,,402.3353936,LEDIWWJKWAMGLD,Fatty acids,Fatty acyls,Hydrocarbons,Bos taurus,490099.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Artiodactyla'],['Bovidae'],['Unknown'],['Bos'],['Bos taurus'],1,0,3.265228271484375 3517,10680,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.59047693,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,3,7.861907720565796 3518,10680,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.59047693,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,3,7.861907720565796 3519,10680,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.59047693,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema furfuracea,5700083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema furfuracea'],4,3,7.861907720565796 3520,10679,2085,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6645636,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],4,3,8.158254384994507 3521,10678,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49956968,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.498278737068176 3522,10676,1002,Terpenoids,Triterpenoids,Stigmastane steroids,0.3196422,ISDB,MEEONOMPSMYAQO-MBEOCFQISA-N,"InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h16-17,27,37-39,41-46,48-51,55-57H,8-15,18-26,28-36H2,1-7H3/b17-16-/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@@H]1O,C53H92O7,,840.6843052840001,MEEONOMPSMYAQO,Terpenoids,Steroids,Stigmastane steroids,Ficus carica,658505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus carica'],5,3,7.778568744659424 3523,10675,727,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7903479,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,3,8.661391496658325 3524,10674,-1,,,,0.6930732,ISDB,ISNRCAHXJCTBAV-RMEWEKGHSA-N,"InChI=1S/C22H30O/c1-14-8-9-16-19(14)20-17(21(20,2)3)11-13-22(16)12-10-15-6-4-5-7-18(15)23-22/h4-7,14,16-17,19-20H,8-13H2,1-3H3/t14-,16+,17-,19-,20-,22+/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]23CCc2ccccc2O3)C1(C)C,C22H30O,,310.22966558,ISNRCAHXJCTBAV,Terpenoids,Diterpenoids,,Uvaria tanzaniae,3867912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria tanzaniae'],4,0,6.772292852401733 3525,10673,121,Terpenoids,Sesquiterpenoids,Oxygenated hydrocarbons,0.70898795,ISDB,JCVVMRFAPQPJBD-IRXDYDNUSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1",CC(C)C1=C[C@@H]2Oc3ccccc3C[C@]2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longiracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],4,2,7.835951805114746 3526,10673,121,Terpenoids,Sesquiterpenoids,Oxygenated hydrocarbons,0.70898795,ISDB,JCVVMRFAPQPJBD-UHFFFAOYSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3",CC(C)C1=CC2Oc3ccccc3CC2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longeracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],4,2,7.835951805114746 3527,10672,-1,,,,0.49040762,ISDB,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,7.961630463600159 3528,10671,796,,,,0.5800196,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3200783729553223 3529,10670,-1,,,,0.43170288,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,0,4.726811528205872 3530,10670,-1,,,,0.43170288,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,0,4.726811528205872 3531,10669,-1,,,,0.75092036,ISDB,ULWBDUNMGKITLY-JCWARNQUSA-N,"InChI=1S/C30H42O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h14,17,19-21,23H,7-13,15-16H2,1-6H3/t17-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",CC1=C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H42O4,,466.30830982399993,ULWBDUNMGKITLY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,0,8.003681421279907 3532,10669,-1,,,,0.75092036,ISDB,ULWBDUNMGKITLY-JCWARNQUSA-N,"InChI=1S/C30H42O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h14,17,19-21,23H,7-13,15-16H2,1-6H3/t17-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",CC1=C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H42O4,,466.30830982399993,ULWBDUNMGKITLY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,8.003681421279907 3533,10665,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.45526174,ISDB,KBYMABZAFBTCMQ-IQJXLAGFSA-N,"InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-22-28(5)13-12-23(38-19(2)33)27(3,4)25(28)21(34)17-30(22,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22-,23+,24-,25+,28-,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@H]2C1(C)C,C32H50O6,,530.36073932,KBYMABZAFBTCMQ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Radermachera boniana,6080504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Radermachera'],['Radermachera boniana'],4,2,6.821046948432922 3534,10664,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.25170672,ISDB,DQYLYINTYRNUAK-AKACLTSDSA-N,"InChI=1S/C30H46O4/c1-19(2)23-14-18-30(7)25(28(23,5)16-15-26(31)32)12-11-24-22(13-17-29(24,30)6)20(3)9-8-10-21(4)27(33)34/h10,22-25H,1,3,8-9,11-18H2,2,4-7H3,(H,31,32)(H,33,34)/b21-10+/t22-,23+,24-,25+,28+,29-,30-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C,C30H46O4,,470.339609952,DQYLYINTYRNUAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,8.506826877593994 3535,10661,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6596845,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,10.138737916946411 3536,10661,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6596845,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,10.138737916946411 3537,10661,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6596845,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,10.138737916946411 3538,10661,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6596845,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,10.138737916946411 3539,10658,57,Terpenoids,Steroids,Cardenolides,0.39375916,ISDB,DNLXAKKKWMFLON-WPXBXLIQSA-N,"InChI=1S/C35H52O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,16-17,19-25,27-32,36,38,40-43H,3-10,12-15H2,1-2H3/t17-,19+,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31+,32+,33-,34-,35+/m1/s1",C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H52O13,,680.3407917239999,DNLXAKKKWMFLON,Terpenoids,Steroids,Cardenolides,Strophanthus boivinii,669222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Nerieae'],['Strophanthus'],['Strophanthus boivinii'],4,3,7.075036644935608 3540,10657,994,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YFHPZWBRSMIKOC-SWUWCAIHSA-N,"InChI=1S/C40H56O8/c1-23-14-17-40(35(45)46)19-18-38(5)26(33(40)24(23)2)10-12-31-36(3)21-28(42)34(44)37(4,30(36)15-16-39(31,38)6)22-48-32(43)13-9-25-8-11-27(41)29(20-25)47-7/h8-11,13,20,23-24,28,30-31,33-34,41-42,44H,12,14-19,21-22H2,1-7H3,(H,45,46)/b13-9+/t23-,24+,28-,30-,31-,33+,34-,36+,37-,38-,39-,40+/m1/s1",COc1cc(/C=C/C(=O)OC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@@H]6[C@@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@H]2O)ccc1O,C40H56O8,pos_2MMg,664.3975187519999,YFHPZWBRSMIKOC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 3541,10657,994,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YFHPZWBRSMIKOC-SWUWCAIHSA-N,"InChI=1S/C40H56O8/c1-23-14-17-40(35(45)46)19-18-38(5)26(33(40)24(23)2)10-12-31-36(3)21-28(42)34(44)37(4,30(36)15-16-39(31,38)6)22-48-32(43)13-9-25-8-11-27(41)29(20-25)47-7/h8-11,13,20,23-24,28,30-31,33-34,41-42,44H,12,14-19,21-22H2,1-7H3,(H,45,46)/b13-9+/t23-,24+,28-,30-,31-,33+,34-,36+,37-,38-,39-,40+/m1/s1",COc1cc(/C=C/C(=O)OC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@@H]6[C@@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@H]2O)ccc1O,C40H56O8,pos_2MMg,664.3975187519999,YFHPZWBRSMIKOC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 3542,10656,1988,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YQNFQUKKDWYHMX-LIQZXYIUSA-N,"InChI=1S/C44H66O14/c1-22-14-17-44(38(51)58-37-34(56-26(5)48)33(55-25(4)47)32(54-24(3)46)29(57-37)21-53-23(2)45)19-18-41(9)27(35(44)43(22,11)52)12-13-31-40(8)20-28(49)36(50)39(6,7)30(40)15-16-42(31,41)10/h12,22,28-37,49-50,52H,13-21H2,1-11H3/t22-,28-,29-,30+,31-,32-,33+,34-,35-,36-,37+,40+,41-,42-,43-,44+/m1/s1",CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CC[C@@H](C)[C@@](C)(O)[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C44H66O14,pos_2MMg,818.445256792,YQNFQUKKDWYHMX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,3,7.5 3543,10654,1988,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,QZDAJKZVNUERPG-UHFFFAOYSA-N,"InChI=1S/C22H27NO4/c1-11-9-20-10-14(24)15-19(2)4-3-5-21(15)16(23-6-7-27-18(19)23)13(20)8-12(11)17(25)22(20,21)26/h12-13,15-16,18,26H,1,3-10H2,2H3",C=C1CC23CC(=O)C4C5(C)CCCC46C(C2CC1C(=O)C36O)N1CCOC15,C22H27NO4,pos_2MCH3CNNa,369.194008344,QZDAJKZVNUERPG,Terpenoids,Diterpenoids,Atisane diterpenoids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,1,6.5 3544,10653,363,Fatty acids,Fatty amides,Primary amides,0.5661408,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.764563083648682 3545,10652,363,Fatty acids,Fatty amides,Primary amides,0.5737208,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,7.7948832511901855 3546,10652,363,Fatty acids,Fatty amides,Primary amides,0.5737208,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,3,7.7948832511901855 3547,10652,363,Fatty acids,Fatty amides,Primary amides,0.5737208,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,7.7948832511901855 3548,10652,363,Fatty acids,Fatty amides,Primary amides,0.5737208,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,3,7.7948832511901855 3549,10652,363,Fatty acids,Fatty amides,Primary amides,0.5737208,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,3,7.7948832511901855 3550,10652,363,Fatty acids,Fatty amides,Primary amides,0.5737208,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,7.7948832511901855 3551,10652,363,Fatty acids,Fatty amides,Primary amides,0.5737208,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,7.7948832511901855 3552,10650,363,Fatty acids,Fatty amides,Primary amides,0.51616776,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],3,3,6.564671039581299 3553,10650,363,Fatty acids,Fatty amides,Primary amides,0.51616776,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],3,3,6.564671039581299 3554,10650,363,Fatty acids,Fatty amides,Primary amides,0.51616776,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],3,3,6.564671039581299 3555,10650,363,Fatty acids,Fatty amides,Primary amides,0.51616776,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],3,3,6.564671039581299 3556,10650,363,Fatty acids,Fatty amides,Primary amides,0.51616776,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],3,3,6.564671039581299 3557,10650,363,Fatty acids,Fatty amides,Primary amides,0.51616776,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],3,3,6.564671039581299 3558,10650,363,Fatty acids,Fatty amides,Primary amides,0.51616776,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Equisetum telmateia,93158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Equisetales'],['Equisetaceae'],['Unknown'],['Equisetum'],['Equisetum telmateia'],3,3,6.564671039581299 3559,10650,363,Fatty acids,Fatty amides,Primary amides,0.51616776,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],3,3,6.564671039581299 3560,10649,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6546438,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.118575096130371 3561,10646,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.52934283,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.617371320724487 3562,10644,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6350784,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.540313482284546 3563,10642,363,Fatty acids,Fatty amides,Primary amides,0.5689467,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],3,3,6.775786876678467 3564,10642,363,Fatty acids,Fatty amides,Primary amides,0.5689467,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Equisetum telmateia,93158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Equisetales'],['Equisetaceae'],['Unknown'],['Equisetum'],['Equisetum telmateia'],3,3,6.775786876678467 3565,10642,363,Fatty acids,Fatty amides,Primary amides,0.5689467,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],3,3,6.775786876678467 3566,10642,363,Fatty acids,Fatty amides,Primary amides,0.5689467,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],3,3,6.775786876678467 3567,10642,363,Fatty acids,Fatty amides,Primary amides,0.5689467,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],3,3,6.775786876678467 3568,10642,363,Fatty acids,Fatty amides,Primary amides,0.5689467,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],3,3,6.775786876678467 3569,10642,363,Fatty acids,Fatty amides,Primary amides,0.5689467,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],3,3,6.775786876678467 3570,10642,363,Fatty acids,Fatty amides,Primary amides,0.5689467,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],3,3,6.775786876678467 3571,10641,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3855264,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,9.042105555534363 3572,10641,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3855264,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.042105555534363 3573,10641,1235,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3855264,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.042105555534363 3574,10639,-1,,,,0.0,MS1_match,VGVAABHRCNAZRM-WNWTZUNUSA-N,"InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,12,20,22-24H,1,8-9,11,13-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.339609952,VGVAABHRCNAZRM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies koreana,876314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies koreana'],6,0,6.0 3575,10639,-1,,,,0.0,MS1_match,ULWBDUNMGKITLY-JCWARNQUSA-N,"InChI=1S/C30H42O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h14,17,19-21,23H,7-13,15-16H2,1-6H3/t17-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",CC1=C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H42O4,pos_1_1proton1ethylamine,466.30830982399993,ULWBDUNMGKITLY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,0,6.0 3576,10639,-1,,,,0.0,MS1_match,VMZNMXZCZBGFNO-XVCIYZTCSA-N,"InChI=1S/C30H42O4/c1-18(26(33)34)16-21(31)17-20(3)29(7)14-10-19(2)30(29)15-11-22-23(30)8-9-24-27(4,5)25(32)12-13-28(22,24)6/h8,10,16,20,22,24H,9,11-15,17H2,1-7H3,(H,33,34)/b18-16+/t20-,22-,24+,28-,29+,30+/m1/s1",CC1=CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]12CC[C@@H]1C2=CC[C@H]2C(C)(C)C(=O)CC[C@]12C,C30H42O4,pos_1_1proton1ethylamine,466.308309824,VMZNMXZCZBGFNO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 3577,10639,-1,,,,0.0,MS1_match,MBPSURWEKIBRPI-WQWPEFBWSA-N,"InChI=1S/C30H42O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h16,19,22H,8-15,17H2,1-7H3/t19-,22+,26-,27+,28+,29-,30+/m1/s1",CC1=C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H42O4,pos_1_1proton1ethylamine,466.308309824,MBPSURWEKIBRPI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3578,10639,-1,,,,0.0,MS1_match,WEQIMNLYAOTTFY-GWUFTHFBSA-N,"InChI=1S/C30H42O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h10,17-18,23,33H,8-9,11-16H2,1-7H3/t18-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)OC1=O,C30H42O4,pos_1_1proton1ethylamine,466.308309824,WEQIMNLYAOTTFY,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3579,10639,-1,,,,0.0,MS1_match,VDCJOAVMFLFNOK-CRPNLYNSSA-N,"InChI=1S/C30H42O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h8,16,19-20,22H,9-15,17H2,1-7H3/t19-,20-,22+,26-,27+,28+,29-,30+/m1/s1",CC1=C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O,C30H42O4,pos_1_1proton1ethylamine,466.308309824,VDCJOAVMFLFNOK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 3580,10639,-1,,,,0.0,MS1_match,MKPNQZDUYFWCKB-UAFBEPASSA-N,"InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h17-18,20-21,24,31H,8-16H2,1-7H3,(H,33,34)/b19-17+/t18-,20+,21-,24+,28-,29-,30+/m1/s1",C/C(=C\[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,MKPNQZDUYFWCKB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3581,10639,-1,,,,0.0,MS1_match,LPNSAXKZEFPRKW-CJALRUASSA-N,"InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24,31H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,LPNSAXKZEFPRKW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 3582,10639,-1,,,,0.0,MS1_match,CXYRTWBYTTYNDF-ZGZBGPTMSA-N,"InChI=1S/C30H46O4/c1-18-15-29(33-23(18)32)16-19(2)30(34-29)14-11-25(5)21-8-7-20-24(3,4)22(31)9-10-27(20)17-28(21,27)13-12-26(25,30)6/h18-22,31H,7-17H2,1-6H3/t18-,19-,20+,21+,22-,25+,26+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@@]57CC[C@@]43C)O2)OC1=O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,CXYRTWBYTTYNDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 3583,10639,-1,,,,0.0,MS1_match,UPHZQTDFAGIZQK-DHSGVFBSSA-N,"InChI=1S/C30H46O4/c1-18(26(33)34)16-20(31)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(32)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16,19-20,22,24-25,31-32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,20+,22-,24+,25-,28-,29+,30-/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.339609952,UPHZQTDFAGIZQK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 3584,10639,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 3585,10639,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 3586,10639,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)",C=C(C)C1CC=C2C(CCC3(C)C(C(C)CC4CC(C)C(=O)O4)CCC23C)C1(C)CCC(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.339609952,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 3587,10639,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 3588,10639,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 3589,10639,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)",C=C(C)C1CC=C2C(CCC3(C)C(C(C)CC4CC(C)C(=O)O4)CCC23C)C1(C)CCC(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.339609952,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 3590,10639,-1,,,,0.0,MS1_match,RGXBCSRGWBMBCF-YPPHMNHGSA-N,"InChI=1S/C30H46O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19-21,23,25,31-32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,20+,21-,23+,25-,28+,29-,30+/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.339609952,RGXBCSRGWBMBCF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 3591,10639,-1,,,,0.0,MS1_match,XGSFPXSWXKXIAO-ONOYHJLFSA-N,"InChI=1S/C30H46O4/c1-17(13-19-14-18(2)25(33)34-19)20-15-24(32)28(6)22-8-7-21-26(3,4)23(31)9-10-29(21)16-30(22,29)12-11-27(20,28)5/h14,17,19-24,31-32H,7-13,15-16H2,1-6H3/t17-,19-,20-,21+,22+,23-,24-,27-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@H](O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,XGSFPXSWXKXIAO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3592,10639,-1,,,,0.0,MS1_match,SWNDPAJZSJXBSI-NDBZAIKDSA-N,"InChI=1S/C30H46O4/c1-18(8-7-9-19(2)25(33)34)20-16-24(32)28(6)22-11-10-21-26(3,4)23(31)12-13-29(21)17-30(22,29)15-14-27(20,28)5/h9,18,20-22,24,32H,7-8,10-17H2,1-6H3,(H,33,34)/b19-9+/t18-,20-,21+,22+,24-,27-,28-,29-,30+/m1/s1",C/C(=C\CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,SWNDPAJZSJXBSI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3593,10639,-1,,,,0.0,MS1_match,MVAVKBNRFPVKBI-JGJYTGRCSA-N,"InChI=1S/C30H46O4/c1-18-16-20(34-25(18)32)17-19(2)30(33)15-14-28(6)22-8-9-23-26(3,4)24(31)11-12-27(23,5)21(22)10-13-29(28,30)7/h18-20,23,33H,8-17H2,1-7H3/t18-,19-,20+,23+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@@H](C[C@@H](C)[C@@]2(O)CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H46O4,pos_1_1proton1acetonitrile,470.33960995199993,MVAVKBNRFPVKBI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3594,10639,-1,,,,0.0,MS1_match,ZOXJKPVAJZIFCN-JZUYHFPASA-N,"InChI=1S/C30H42O4/c1-18(15-20-16-19(17-34-20)26(32)33)29(5)13-10-23-21-7-8-24-27(2,3)25(31)11-12-28(24,4)22(21)9-14-30(23,29)6/h7,10,16-18,22,24-25,31H,8-9,11-15H2,1-6H3,(H,32,33)/t18-,22-,24+,25-,28-,29+,30-/m1/s1",C[C@H](Cc1cc(C(=O)O)co1)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C30H42O4,pos_1_1proton1ethylamine,466.308309824,ZOXJKPVAJZIFCN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,0,6.0 3595,10639,-1,,,,0.0,MS1_match,DEWPUKVVTOOKSM-XVCIYZTCSA-N,"InChI=1S/C30H42O4/c1-18(26(33)34)16-21(31)17-20(3)29(7)14-10-19(2)30(29)15-11-22-23(30)8-9-24-27(4,5)25(32)12-13-28(22,24)6/h8,16,20,22,24H,2,9-15,17H2,1,3-7H3,(H,33,34)/b18-16+/t20-,22-,24+,28-,29+,30+/m1/s1",C=C1CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]12CC[C@@H]1C2=CC[C@H]2C(C)(C)C(=O)CC[C@]12C,C30H42O4,pos_1_1proton1ethylamine,466.308309824,DEWPUKVVTOOKSM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 3596,10638,-1,,,,0.90180606,ISDB,,,,,,,VPPFFEUDOLPGFB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.607224225997925 3597,10637,126,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.40338528,ISDB,RIXNFYQZWDGQAE-DFHVBEEKSA-N,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O4,,498.37091008,RIXNFYQZWDGQAE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,10.61354112625122 3598,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],5,3,8.524779081344604 3599,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],5,3,8.524779081344604 3600,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],5,3,8.524779081344604 3601,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],5,3,8.524779081344604 3602,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],5,3,8.524779081344604 3603,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],5,3,8.524779081344604 3604,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],5,3,8.524779081344604 3605,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],5,3,8.524779081344604 3606,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],5,3,8.524779081344604 3607,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,3,8.524779081344604 3608,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,8.524779081344604 3609,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.524779081344604 3610,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.524779081344604 3611,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,3,8.524779081344604 3612,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.524779081344604 3613,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.524779081344604 3614,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,3,8.524779081344604 3615,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.524779081344604 3616,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,3,8.524779081344604 3617,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.524779081344604 3618,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.524779081344604 3619,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,3,8.524779081344604 3620,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],5,3,8.524779081344604 3621,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,3,8.524779081344604 3622,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.524779081344604 3623,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix gmelinii var. olgensis,70975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.524779081344604 3624,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,3,8.524779081344604 3625,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.524779081344604 3626,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.524779081344604 3627,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus libani,608496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus libani'],5,3,8.524779081344604 3628,10635,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5061948,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],5,3,8.524779081344604 3629,10630,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5411087,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium macleanii,942183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium macleanii'],4,1,6.664434909820557 3630,10630,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5411087,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium karataviense,942185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium karataviense'],4,1,6.664434909820557 3631,10630,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5411087,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium giganteum,416484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium giganteum'],4,1,6.664434909820557 3632,10627,255,Terpenoids,Triterpenoids,Ergostane steroids,0.2896528,ISDB,XQFHNOITSVLCHN-TWCWKPIJSA-N,"InChI=1S/C28H42O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h16,19-20,22-23,29H,7-15H2,1-6H3/t16-,19-,20+,22+,23-,25+,26+,27-,28+/m1/s1",CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)C[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O,C28H42O3,,426.313395204,XQFHNOITSVLCHN,Terpenoids,Triterpenoids,Friedelane triterpenoids,Microtropis triflora,1045126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis triflora'],3,2,5.158611178398132 3633,10625,-1,,,,0.47746912,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,8.909876465797424 3634,10625,-1,,,,0.47746912,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,8.909876465797424 3635,10622,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.20863895,ISDB,HBDPPXYSTUTNOM-BJBWCKHRSA-N,"InChI=1S/C18H26O12/c1-26-9-4-7(2-3-8(9)20)28-18-16(25)14(23)13(22)11(30-18)6-27-17-15(24)12(21)10(5-19)29-17/h2-4,10-25H,5-6H2,1H3/t10-,11+,12-,13-,14-,15+,16+,17+,18+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C18H26O12,,434.142426272,HBDPPXYSTUTNOM,,,,Elaeagnus pungens,239727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Elaeagnus'],['Elaeagnus pungens'],5,0,5.834555804729462 3636,10621,2687,Terpenoids,Triterpenoids,Lupane triterpenoids,0.22590762,ISDB,DQYLYINTYRNUAK-AKACLTSDSA-N,"InChI=1S/C30H46O4/c1-19(2)23-14-18-30(7)25(28(23,5)16-15-26(31)32)12-11-24-22(13-17-29(24,30)6)20(3)9-8-10-21(4)27(33)34/h10,22-25H,1,3,8-9,11-18H2,2,4-7H3,(H,31,32)(H,33,34)/b21-10+/t22-,23+,24-,25+,28+,29-,30-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C,C30H46O4,,470.339609952,DQYLYINTYRNUAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,2,8.903630495071411 3637,10620,2687,Terpenoids,Triterpenoids,Lupane triterpenoids,0.589014,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Kokoona ochracea,6092883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona ochracea'],4,3,7.856055974960327 3638,10620,2687,Terpenoids,Triterpenoids,Lupane triterpenoids,0.589014,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Lophopetalum wallichii,6092907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lophopetalum'],['Lophopetalum wallichii'],4,3,7.856055974960327 3639,10620,2687,Terpenoids,Triterpenoids,Lupane triterpenoids,0.589014,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Elaeodendron xylocarpum,806635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron xylocarpum'],4,3,7.856055974960327 3640,10618,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3641,10618,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3642,10618,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3643,10618,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3644,10618,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3645,10618,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2_2proton,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3646,10618,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2_2proton,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 3647,10616,1425,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,0.7763608,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.605443239212036 3648,10615,1703,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4339652,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.235860824584961 3649,10614,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.2001679,ISDB,KVXMPQFKQBICKI-UQVKNAHLSA-N,"InChI=1S/C32H52O4/c1-20(2)11-10-15-32(9,35)22-12-17-31(8)27(22)23(36-21(3)33)19-25-29(6)16-14-26(34)28(4,5)24(29)13-18-30(25,31)7/h11,22-25,27,35H,10,12-19H2,1-9H3/t22-,23+,24-,25+,27-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C32H52O4,,500.386560144,KVXMPQFKQBICKI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,10.300671577453613 3650,10613,1096,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.41038948,ISDB,DGWVBOLRGRYBRU-DLRFIJRSSA-N,"InChI=1S/C30H50O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-23,25,31,33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O3,,458.37599546,DGWVBOLRGRYBRU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.141557931900024 3651,10612,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4661493,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,9.364597201347351 3652,10611,1703,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49079368,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.463174700737 3653,10610,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1sodium,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3654,10610,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1sodium,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3655,10609,-1,,,,0.3009875,ISDB,COVOAFBIODKGNE-STJFWIPUSA-N,"InChI=1S/C33H52O7/c1-16-8-11-33(38-15-16)17(2)26-25(40-33)14-23-21-7-6-19-12-20(34)13-24(30-29(37)28(36)27(35)18(3)39-30)32(19,5)22(21)9-10-31(23,26)4/h6,16-18,20-30,34-37H,7-15H2,1-5H3/t16-,17-,18+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29+,30-,31-,32-,33+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H]([C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H52O7,,560.371304004,COVOAFBIODKGNE,Terpenoids,Steroids,Spirostane steroids,Nolina microcarpa,273514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Nolina'],['Nolina microcarpa'],4,0,5.203950047492981 3656,10607,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4784339,ISDB,BXCDNFMSWNBZGR-PKIGEZQHSA-N,"InChI=1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22+,23-,24+,27+,30+,31-,32-,33+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C33H50O6,,542.36073932,BXCDNFMSWNBZGR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,3,7.413735628128052 3657,10605,371,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_2MNa,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3658,10605,371,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_2MNa,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3659,10604,-1,,,,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_2MHNH3,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3660,10604,-1,,,,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_2MHNH3,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3661,10603,-1,,,,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1proton1ethylamine,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3662,10603,-1,,,,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1proton1ethylamine,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3663,10602,-1,,,,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1potassium,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3664,10602,-1,,,,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1potassium,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 3665,10601,3200,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1proton,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3666,10601,3200,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1proton,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3667,10601,3200,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,COUZJTKJINDPEN-JAVKLMNMSA-N,"InChI=1S/C32H48O8/c1-18(33)38-20-16-22-29(4)12-10-23(39-26(37)17-24(34)35)28(2,3)21(29)9-14-30(22,5)31(6)13-8-19(27(20)31)32(7)15-11-25(36)40-32/h19-23,27H,8-17H2,1-7H3,(H,34,35)/t19-,20+,21-,22+,23+,27-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CCC(=O)O3)[C@@H]12,C32H48O8,pos_1_1proton1isopropanol,560.334918496,COUZJTKJINDPEN,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3668,10600,3163,Terpenoids,Steroids,Ergostane steroids,0.3394651,ISDB,LQQNFEWYWXJEBF-PJEBFGBISA-N,"InChI=1S/C35H54O8/c1-19(20(2)31(6,7)42-23(5)38)30(41-22(4)37)34(10)35(43-34)29(40-21(3)36)18-28-26-12-11-24-17-25(39)13-15-32(24,8)27(26)14-16-33(28,35)9/h19-20,24,26-30H,11-18H2,1-10H3/t19-,20-,24-,26+,27-,28-,29-,30+,32-,33-,34-,35-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]12O[C@@]2(C)[C@H](OC(C)=O)[C@@H](C)[C@H](C)C(C)(C)OC(C)=O,C35H54O8,,602.381868688,LQQNFEWYWXJEBF,Terpenoids,Steroids,Ergostane steroids,Isis hippuris,87416.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Isididae'],['Unknown'],['Isis'],['Isis hippuris'],1,3,3.8578604459762573 3669,10599,1079,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.22660385,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia celebica,729746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia celebica'],4,3,6.406415402889252 3670,10599,1079,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.22660385,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia speciosa,885608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia speciosa'],4,3,6.406415402889252 3671,10598,798,Fatty acids,Fatty acyls,Fatty alcohols,0.334343,ISDB,ODOHBJISRZXRAM-ALCCZGGFSA-N,"InChI=1S/C21H30/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5,7H,6,8-14,16,18-21H2/b7-5-",C#C/C=C\CCCC#CCCCCCCCCCCC#C,C21H30,,282.23475096,ODOHBJISRZXRAM,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.8373719453811646 3672,10597,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.81508106,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.260324239730835 3673,10597,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.81508106,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.260324239730835 3674,10593,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5208971,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.583588361740112 3675,10593,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5208971,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.583588361740112 3676,10591,2946,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.51566523,ISDB,KQNYBDACXLEBLR-ALCCZGGFSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)/b7-5-",CCCC/C=C\c1cccc(C(=O)O)c1,C13H16O2,,204.115029752,KQNYBDACXLEBLR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],3,3,6.5626609325408936 3677,10591,2946,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.51566523,ISDB,KQNYBDACXLEBLR-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)",CCCCC=Cc1cccc(C(=O)O)c1,C13H16O2,,204.115029752,KQNYBDACXLEBLR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nepeta cataria,830200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta cataria'],3,3,6.5626609325408936 3678,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1isopropanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 3679,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1isopropanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 3680,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1isopropanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 3681,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JAFZKPLEKRHFFD-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O,C26H44O8,pos_1_1proton1isopropanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 3682,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1isopropanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 3683,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1isopropanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 3684,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1isopropanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 3685,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,CWDBCXIAEGDANA-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCO,C26H44O8,pos_1_1proton1isopropanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 3686,10588,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,KCTSUIMXVGYXPH-GPANMQAPSA-N,"InChI=1S/C26H44O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19-,20+,21-,22-,24-,25+,26+/m1/s1",CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4,C26H44O8,pos_1_1proton1isopropanol,484.303618368,KCTSUIMXVGYXPH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 3687,10587,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.26908094,ISDB,RNIUPZYYTVVUNU-PXDRNWIDSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,20,22-23H,2-5,8-19H2,1H3/b7-6-/t20-/m1/s1",CCCCC/C=C\CCCCCCCCCCC(=O)OC[C@H](O)CO,C21H40O4,,356.29265976,RNIUPZYYTVVUNU,Fatty acids,Glycerolipids,Monoacylglycerols,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],4,3,6.576323747634888 3688,10586,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4100294,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.640117645263672 3689,10586,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4100294,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.640117645263672 3690,10585,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 3691,10583,727,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7705903,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,3,8.582361221313477 3692,10582,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 3693,10582,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 3694,10582,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SODOCNHASA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 3695,10582,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,0,7.0 3696,10582,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,0,7.0 3697,10582,-1,,,,0.0,MS1_match,OKFUMXYKQQZGEL-ORUFPOAGSA-N,"InChI=1S/C32H54O5/c1-20(2)11-10-14-31(9,35)32(36)18-17-30(8)26(32)22(37-21(3)33)19-24-28(6)15-13-25(34)27(4,5)23(28)12-16-29(24,30)7/h11,22-26,34-36H,10,12-19H2,1-9H3/t22-,23-,24-,25-,26+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,OKFUMXYKQQZGEL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 3698,10582,-1,,,,0.0,MS1_match,AGUHAYAHWBTKAM-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-24-12-14-29(6)23(27(24,2)3)11-16-31(8)26(29)22(34)18-21-20(10-15-30(21,31)7)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CCC2(C)C(CCC3(C)C2C(O)CC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C,C32H54O5,pos_1_1sodium,518.397124828,AGUHAYAHWBTKAM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 3699,10582,-1,,,,0.0,MS1_match,NBEIUEYVYOEVCL-LCYMMZRTSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23-,24-,25+,26+,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 3700,10582,-1,,,,0.0,MS1_match,NBEIUEYVYOEVCL-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12,C32H54O5,pos_1_1sodium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 3701,10581,161,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.66027915,ISDB,PCLDEDSUWNZZDJ-BDBJVFIPSA-N,"InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16+,17-,19-,20+/m1/s1",C=C1CC[C@H]2[C@@]3(C)C[C@H]3CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O2,,302.2245802,PCLDEDSUWNZZDJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,11.141116619110107 3702,10580,2237,Terpenoids,Sesquiterpenoids,Apotirucallane triterpenoids,0.27648255,ISDB,HKVOPFDXIGAKHQ-LTYLRRHLSA-N,"InChI=1S/C24H32O5/c1-13(25)29-20-18(28)19-21(2,3)17(27)8-10-23(19,5)15-7-9-22(4)12-14(26)11-16(22)24(15,20)6/h8,10-11,15,18-20,28H,7,9,12H2,1-6H3/t15-,18-,19-,20-,22+,23-,24-/m1/s1",CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C,C24H32O5,,400.224974124,HKVOPFDXIGAKHQ,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],3,3,5.605930209159851 3703,10579,-1,,,,0.0,MS1_match,HYBBIBNJHNGZAN-UHFFFAOYSA-N,InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H,O=Cc1ccco1,C5H4O2,pos_1_1proton1methanol,96.021129368,HYBBIBNJHNGZAN,Polyketides,Cyclic polyketides,Furans,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 3704,10577,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.3556425,ISDB,,,,,,,LZEPQVDPYSHSAE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.422569990158081 3705,10575,-1,,,,0.54499453,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.179978132247925 3706,10575,-1,,,,0.54499453,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,0,5.179978132247925 3707,10571,-1,,,,0.7432174,ISDB,IQULCXQCXFWUQH-JKDFXYPNSA-N,"InChI=1S/C17H22O2/c1-10-7-13-15-11-9-17(4,19-14(15)8-10)6-5-12(11)16(2,3)18-13/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12+,17-/m0/s1",Cc1cc2c3c(c1)O[C@@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2,C17H22O2,,258.161979944,IQULCXQCXFWUQH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rhododendron anthopogonoides,5759940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogonoides'],3,0,5.972869634628296 3708,10571,-1,,,,0.7432174,ISDB,IQULCXQCXFWUQH-JKDFXYPNSA-N,"InChI=1S/C17H22O2/c1-10-7-13-15-11-9-17(4,19-14(15)8-10)6-5-12(11)16(2,3)18-13/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12+,17-/m0/s1",Cc1cc2c3c(c1)O[C@@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2,C17H22O2,,258.161979944,IQULCXQCXFWUQH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rhododendron anthopogon,128305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogon'],3,0,5.972869634628296 3709,10568,-1,,,,0.46907315,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,7.876292586326599 3710,10568,-1,,,,0.46907315,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,0,7.876292586326599 3711,10568,-1,,,,0.46907315,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,0,7.876292586326599 3712,10568,-1,,,,0.46907315,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,7.876292586326599 3713,10568,-1,,,,0.46907315,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,7.876292586326599 3714,10567,-1,,,,0.0,MS1_match,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,pos_1_1sodium,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 3715,10567,-1,,,,0.0,MS1_match,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,pos_1_1sodium,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 3716,10567,-1,,,,0.0,MS1_match,NVXMKMSYGAERCC-XUVXKRRUSA-N,"InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h6-7,10-11,13,18,21-22H,5,8-9,12H2,1-4H3/t18-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(CO)[C@@H]1C=C2,C20H28O2,pos_1_1sodium,300.208930136,NVXMKMSYGAERCC,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 3717,10567,-1,,,,0.0,MS1_match,JZYNFCPCWFSNOL-LXBJXQDPSA-N,"InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32+,33-,34-,35-,36-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@H]21,C40H56O4,pos_2_2sodium,600.417860272,JZYNFCPCWFSNOL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 3718,10567,-1,,,,0.0,MS1_match,DCSCXTJOXBUFGB-YUMQZZPRSA-N,"InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8-/m0/s1",CC1=CC(=O)[C@@H]2C[C@@H]1C2(C)C,C10H14O,pos_2MNa,150.104465068,DCSCXTJOXBUFGB,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 3719,10567,-1,,,,0.0,MS1_match,XLPDVYGDNRIQFV-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",Cc1ccc(C(C)(C)O)cc1,C10H14O,pos_2MNa,150.104465068,XLPDVYGDNRIQFV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 3720,10567,-1,,,,0.0,MS1_match,FDPZGIYDJZEQNE-BDLOOMQFSA-N,"InChI=1S/C17H32O3/c1-6-20-14-8-10-17(5,19)13-11-12(15(2,3)18)7-9-16(13,14)4/h12-14,18-19H,6-11H2,1-5H3/t12-,13-,14+,16-,17-/m1/s1",CCO[C@H]1CC[C@@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@@]12C,C17H32O3,pos_1_1potassium,284.235144884,FDPZGIYDJZEQNE,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 3721,10563,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.4958477,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.483390808105469 3722,10562,3177,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5614097,ISDB,ISHVJVXYPLFKAL-AZUAARDMSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.745638847351074 3723,10560,-1,,,,0.25384453,ISDB,ICSMWVXZVJFMRP-UHFFFAOYSA-N,"InChI=1S/C23H44N6O3/c24-11-3-14-25-12-1-2-13-26-15-4-16-27-17-5-19-29(32)20-6-18-28-23(31)21-7-9-22(30)10-8-21/h7-10,25-27,30,32H,1-6,11-20,24H2,(H,28,31)",NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)c1ccc(O)cc1,C23H44N6O3,,452.347489268,ICSMWVXZVJFMRP,Alkaloids,Ornithine alkaloids,Polyamines,Agelenopsis aperta,725349.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Araneae'],['Agelenidae'],['Unknown'],['Agelenopsis'],['Agelenopsis aperta'],1,0,2.0153781175613403 3724,10559,1111,Terpenoids,Sesquiterpenoids,Abietane diterpenoids,0.0,MS1_match,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,pos_1_1sodium1acetonitrile,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 3725,10559,1111,Terpenoids,Sesquiterpenoids,Abietane diterpenoids,0.0,MS1_match,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,pos_1_1sodium1acetonitrile,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 3726,10559,1111,Terpenoids,Sesquiterpenoids,Abietane diterpenoids,0.0,MS1_match,NVXMKMSYGAERCC-XUVXKRRUSA-N,"InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h6-7,10-11,13,18,21-22H,5,8-9,12H2,1-4H3/t18-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(CO)[C@@H]1C=C2,C20H28O2,pos_1_1sodium1acetonitrile,300.208930136,NVXMKMSYGAERCC,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 3727,10558,-1,,,,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MCa,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,6.0 3728,10558,-1,,,,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MCa,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Tsuga heterophylla,1095217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga heterophylla'],6,0,6.0 3729,10557,1052,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.58094144,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.823765754699707 3730,10555,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.20730183,ISDB,VSHMLGFPIOVLBX-YLBAIOHYSA-N,"InChI=1S/C34H54O8/c1-19(35)41-27-13-15-32(8)24-12-14-31(7)22(21-16-26(37)34(39,40-18-21)30(5,6)38)10-11-23(31)33(24,9)28(42-20(2)36)17-25(32)29(27,3)4/h11,21-22,24-28,37-39H,10,12-18H2,1-9H3/t21-,22+,24-,25+,26-,27-,28-,31+,32-,33+,34+/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4[C@H]4CO[C@](O)(C(C)(C)O)[C@H](O)C4)[C@]3(C)[C@H](OC(C)=O)C[C@H]2C1(C)C,C34H54O8,,590.381868688,VSHMLGFPIOVLBX,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Chisocheton cumingianus,123895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Chisocheton'],['Chisocheton cumingianus'],4,2,5.8292073011398315 3731,10554,2889,Alkaloids,Tryptophan alkaloids,Piperidine alkaloids,0.5541421,ISDB,DZBDDACPJRFJGO-NXBFSHDWSA-N,"InChI=1S/C19H34N2O2/c1-13-9-14(11-16-5-3-4-8-21(16)2)17-7-6-15(12-19(22)23)20-18(17)10-13/h13-18,20H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,17+,18-/m1/s1",C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CC[C@@H](CC(=O)O)N[C@@H]2C1,C19H34N2O2,,322.262028328,DZBDDACPJRFJGO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lycopodiella cernua,429356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Palhinhaea'],['Palhinhaea cernua'],3,3,6.716568470001221 3732,10553,2889,Alkaloids,Tryptophan alkaloids,Piperidine alkaloids,0.29594243,ISDB,WCADABAIXGAAAG-ZWKOTPCHSA-N,"InChI=1S/C21H26N2O/c1-3-17-15-23(16(2)24)14-12-18(17)7-6-8-19-11-13-22-21-10-5-4-9-20(19)21/h3-5,9-11,13,17-18H,1,6-8,12,14-15H2,2H3/t17-,18+/m0/s1",C=C[C@H]1CN(C(C)=O)CC[C@H]1CCCc1ccnc2ccccc12,C21H26N2O,,322.204513452,WCADABAIXGAAAG,Alkaloids,Tryptophan alkaloids,,Ciliosemina pedunculata,98568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Cinchoneae'],['Ciliosemina'],['Ciliosemina pedunculata'],3,2,5.183769702911377 3733,10547,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.57453054,ISDB,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,9.79812216758728 3734,10547,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.57453054,ISDB,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.79812216758728 3735,10547,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.57453054,ISDB,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,9.79812216758728 3736,10546,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4235324,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.194129586219788 3737,10545,660,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.46775144,ISDB,ZMMOCDBCJOUFDQ-UHFFFAOYSA-N,"InChI=1S/C25H30O2/c1-18(2)11-15-22-21(14-13-20-9-7-6-8-10-20)17-24(26)23(25(22)27-5)16-12-19(3)4/h6-14,17,26H,15-16H2,1-5H3",COc1c(CC=C(C)C)c(O)cc(C=Cc2ccccc2)c1CC=C(C)C,C25H30O2,,362.2245802,ZMMOCDBCJOUFDQ,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Lonchocarpus chiricanus,3920405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus chiricanus'],3,3,6.3710057735443115 3738,10544,970,Fatty acids,Fatty acyls,Fatty alcohols,0.30782655,ISDB,YBFDEMZEWRINKR-FNORWQNLSA-N,"InChI=1S/C22H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5,7H,6,8-14,16,18-22H2/b7-5+",C#C/C=C/CCCC#CCCCCCCCCCCCC#C,C22H32,,296.250401024,YBFDEMZEWRINKR,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.7313061952590942 3739,10541,660,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.6453108,ISDB,,,,,,,WTHYBEDBWJWEEI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5812432765960693 3740,10540,-1,,,,0.66280425,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.651216983795166 3741,10540,-1,,,,0.66280425,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.651216983795166 3742,10538,-1,,,,0.7303654,ISDB,ABTMNXMGKVGBEE-UHFFFAOYSA-N,"InChI=1S/C30H38O/c1-14-18(10-17-11-19(14)28(17,4)5)26-22-12-20(29(22,6)7)15(2)24(26)25-16(3)21-13-23(27(25)31)30(21,8)9/h10,17,22-23,31H,11-13H2,1-9H3",CC1=C2CC(C=C1C1=C(C3=C(O)C4CC(=C3C)C4(C)C)C(C)=C3CC1C3(C)C)C2(C)C,C30H38O,,414.292265836,ABTMNXMGKVGBEE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Origanum cordifolium,5801117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum cordifolium'],3,0,5.921461582183838 3743,10536,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41124132,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.144965291023254 3744,10535,660,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.4693557,ISDB,ZMMOCDBCJOUFDQ-UHFFFAOYSA-N,"InChI=1S/C25H30O2/c1-18(2)11-15-22-21(14-13-20-9-7-6-8-10-20)17-24(26)23(25(22)27-5)16-12-19(3)4/h6-14,17,26H,15-16H2,1-5H3",COc1c(CC=C(C)C)c(O)cc(C=Cc2ccccc2)c1CC=C(C)C,C25H30O2,,362.2245802,ZMMOCDBCJOUFDQ,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Lonchocarpus chiricanus,3920405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus chiricanus'],3,3,6.37742280960083 3745,10534,-1,,,,0.24897453,ISDB,MVJQLUWKSUTHBF-YRGYYVIWSA-N,"InChI=1S/C19H36N2O3/c1-5-17(2)15-13-11-9-7-6-8-10-12-14-16-21(23)20-18(3)19(22)24-4/h14,16-18H,5-13,15H2,1-4H3/b16-14-,21-20?/t17?,18-/m0/s1",CCC(C)CCCCCCCCC/C=C\[N+]([O-])=N[C@@H](C)C(=O)OC,C19H36N2O3,,340.272593012,MVJQLUWKSUTHBF,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,0.9958981275558472 3746,10533,970,Fatty acids,Fatty acyls,Fatty alcohols,0.3118558,ISDB,YBFDEMZEWRINKR-FNORWQNLSA-N,"InChI=1S/C22H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5,7H,6,8-14,16,18-22H2/b7-5+",C#C/C=C/CCCC#CCCCCCCCCCCCC#C,C22H32,,296.250401024,YBFDEMZEWRINKR,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.7474231719970703 3747,10532,970,Fatty acids,Fatty acyls,Fatty alcohols,0.43845874,ISDB,YZHQOLWNBFSHQZ-FLTUCWPJSA-N,"InChI=1S/C19H24N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-14,18,20,22H,5-11H2/t12-,13-,14+,18-/m0/s1",O[C@@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2C1,C19H24N2O,,296.188863388,YZHQOLWNBFSHQZ,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Stenostomum portoricense,3880955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Guettardeae'],['Stenostomum'],['Stenostomum portoricense'],3,0,4.753834962844849 3748,10532,970,Fatty acids,Fatty acyls,Fatty alcohols,0.43845874,ISDB,YZHQOLWNBFSHQZ-UHFFFAOYSA-N,"InChI=1S/C19H24N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-14,18,20,22H,5-11H2",OC1CCC2CN3CCc4c([nH]c5ccccc45)C3CC2C1,C19H24N2O,,296.188863388,YZHQOLWNBFSHQZ,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Antirhea,280367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Guettardeae'],['Antirhea'],['Unknown'],3,0,4.753834962844849 3749,10532,970,Fatty acids,Fatty acyls,Fatty alcohols,0.43845874,ISDB,YZHQOLWNBFSHQZ-NUXNZHGMSA-N,"InChI=1S/C19H24N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-14,18,20,22H,5-11H2/t12-,13-,14-,18-/m0/s1",O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2C1,C19H24N2O,,296.188863388,YZHQOLWNBFSHQZ,Alkaloids,Tryptophan alkaloids,Yohimbine-like alkaloids,Hunteria zeylanica,5232839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Hunterieae'],['Hunteria'],['Hunteria zeylanica'],3,0,4.753834962844849 3750,10531,-1,,,,0.56970364,ISDB,CJAWLAWAWJGSJC-HULLSVINSA-N,"InChI=1S/C17H30N2O2/c1-13-10-14(12-15-6-3-4-8-18(15)20)16-7-5-9-19(2,21)17(16)11-13/h13-14,16-17H,3-12H2,1-2H3/t13-,14+,16-,17-,19+/m1/s1",C[C@@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@H]2CCC[N@+](C)([O-])[C@@H]2C1,C17H30N2O2,,294.2307282,CJAWLAWAWJGSJC,Alkaloids,Lysine alkaloids,,Huperzia serrata,643276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Huperzia'],['Huperzia serrata'],3,0,5.2788145542144775 3751,10529,-1,,,,0.67115307,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.684612274169922 3752,10527,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.562919,ISDB,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,9.751676082611084 3753,10527,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.562919,ISDB,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,9.751676082611084 3754,10527,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.562919,ISDB,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.751676082611084 3755,10526,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.60663456,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,3,6.9265382289886475 3756,10525,504,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.49413002,ISDB,FMIMFCRXYXVFTA-FUAOEXFOSA-N,"InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O3,,454.344695332,FMIMFCRXYXVFTA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,3,10.47652006149292 3757,10524,2237,Terpenoids,Sesquiterpenoids,Apotirucallane triterpenoids,0.2757451,ISDB,HKVOPFDXIGAKHQ-LTYLRRHLSA-N,"InChI=1S/C24H32O5/c1-13(25)29-20-18(28)19-21(2,3)17(27)8-10-23(19,5)15-7-9-22(4)12-14(26)11-16(22)24(15,20)6/h8,10-11,15,18-20,28H,7,9,12H2,1-6H3/t15-,18-,19-,20-,22+,23-,24-/m1/s1",CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C,C24H32O5,,400.224974124,HKVOPFDXIGAKHQ,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],3,3,5.602980375289917 3758,10523,-1,,,,0.23485647,ISDB,QFHBLKBGYAASBK-ZIAGYGMSSA-N,"InChI=1S/C16H29NO3/c1-3-4-5-6-7-10-15(19)13(2)16(20)17-11-8-9-14(17)12-18/h13-14,18H,3-12H2,1-2H3/t13-,14-/m1/s1",CCCCCCCC(=O)[C@@H](C)C(=O)N1CCC[C@@H]1CO,C16H29NO3,,283.214743788,QFHBLKBGYAASBK,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Penicillium citrinum,226488.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium citrinum'],1,0,1.9394258856773376 3759,10522,3247,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.741798,ISDB,CDBDDJJFIHXISK-GRNDGOIUSA-N,"InChI=1S/C30H40O4/c1-14(2)17-20-18-19(26(34)30(20)12-11-29(15(3)4)13-16(29)30)23(32)25-27(5,6)9-8-10-28(25,7)21(18)24(33)22(17)31/h14-16,23,25,32-33H,8-13H2,1-7H3/t16-,23-,25-,28+,29+,30-/m0/s1",CC(C)C1=C2C3=C(C(=O)[C@]24CC[C@]2(C(C)C)C[C@H]42)[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=C(O)C1=O,C30H40O4,,464.29265976,CDBDDJJFIHXISK,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,1,10.467191934585571 3760,10519,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,NFRXSIOHGADFRG-MEMZBLDGSA-N,"InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C,C30H48O,pos_1_minus1proton2sodium,424.3705161559999,NFRXSIOHGADFRG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,2,7.0 3761,10519,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,NFRXSIOHGADFRG-MEMZBLDGSA-N,"InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C,C30H48O,pos_1_minus1proton2sodium,424.3705161559999,NFRXSIOHGADFRG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,2,7.0 3762,10518,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.30762368,ISDB,PUSNSFIJAMTISX-LQOHYYORSA-N,"InChI=1S/C24H42N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h6,8,19-20H,4-5,7,9-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/b8-6-/t20-/m1/s1",CC(C)CCC/C=C\CCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O,C24H42N4O4,,450.320605824,PUSNSFIJAMTISX,Fatty acids,Fatty amides,N-acyl amines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.230494737625122 3763,10517,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.291436,ISDB,LXNSOWATMNHQMS-LEWJYISDSA-N,"InChI=1S/C23H44O7/c1-3-4-5-6-7-8-9-10-11-12-13-20(27)14-15-21(29-19(2)26)16-23(28)30-22(17-24)18-25/h20-22,24-25,27H,3-18H2,1-2H3/t20-,21+/m0/s1",CCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)OC(CO)CO)OC(C)=O,C23H44O7,,432.308703748,LXNSOWATMNHQMS,Fatty acids,Glycerolipids,Monoacylglycerols,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],3,0,4.165743947029114 3764,10516,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4746347,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.398538827896118 3765,10515,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.33709022,ISDB,,,,,,,IMMFKHKTZMTRFR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3483608961105347 3766,10513,2063,Terpenoids,Triterpenoids,Serratane triterpenoids,0.50700665,ISDB,VVUDCWPSEIDKOG-IILZIWPVSA-N,"InChI=1S/C29H44O2/c1-18-17-22-27(5,24(31)23(18)30)14-16-28(6)21-11-12-25(3)19(2)9-8-10-20(25)26(21,4)13-15-29(22,28)7/h8-9,18,20-22,24,31H,2,10-17H2,1,3-7H3/t18-,20-,21-,22+,24-,25-,26+,27-,28-,29-/m1/s1",C=C1C=CC[C@H]2[C@]3(C)CC[C@]4(C)[C@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C,C29H44O2,,424.334130648,VVUDCWPSEIDKOG,Terpenoids,Triterpenoids,Friedelane triterpenoids,Acanthothamnus aphyllus,739323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Acanthothamnus'],['Acanthothamnus aphyllus'],4,2,7.028026580810547 3767,10512,-1,,,,0.0,MS1_match,MKEYDVIGPFSUDP-HPICJHQDSA-N,"InChI=1S/C34H54O7/c1-18-7-8-20(29(38)39)19-11-15-33(5)21(26(18)19)9-10-24-32(4)14-13-25(31(2,3)23(32)12-16-34(24,33)6)41-30-28(37)27(36)22(35)17-40-30/h9,18-20,22-28,30,35-37H,7-8,10-17H2,1-6H3,(H,38,39)/t18-,19+,20+,22-,23+,24+,25-,26-,27-,28+,30+,32-,33+,34+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21,C34H54O7,pos_1_1proton1ethylamine,574.386954068,MKEYDVIGPFSUDP,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 3768,10511,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.44478014,ISDB,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,9.279120564460754 3769,10511,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.44478014,ISDB,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,3,9.279120564460754 3770,10510,327,Amino acids and Peptides,Triterpenoids,Cyclic peptides,0.42580023,ISDB,WTFVTPDZPCKVCO-FPSIIMKOSA-N,"InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1",C/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,C24H38N4O4,,446.289305696,WTFVTPDZPCKVCO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Aspergillus sclerotiorum,932281.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus sclerotiorum'],1,3,4.203200936317444 3771,10509,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50263137,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,12.510525465011597 3772,10508,435,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,pos_1_1sodium,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,7.5 3773,10505,-1,,,,0.0,MS1_match,KILZIJKCZIGLFJ-HQIOABIXSA-N,"InChI=1S/C37H60O10/c1-19(38)45-27-26(42)22(41)17-44-30(27)46-24-10-12-37-18-36(37)14-13-33(6)29(35(8)11-9-25(47-35)32(4,5)43)21(40)16-34(33,7)23(36)15-20(39)28(37)31(24,2)3/h20-30,39-43H,9-18H2,1-8H3/t20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30-,33+,34-,35+,36-,37+/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C37H60O10,pos_1_1proton1isopropanol,664.41864812,KILZIJKCZIGLFJ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus exilis,3924710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus exilis'],6,0,6.0 3774,10505,-1,,,,0.0,MS1_match,KILZIJKCZIGLFJ-HQIOABIXSA-N,"InChI=1S/C37H60O10/c1-19(38)45-27-26(42)22(41)17-44-30(27)46-24-10-12-37-18-36(37)14-13-33(6)29(35(8)11-9-25(47-35)32(4,5)43)21(40)16-34(33,7)23(36)15-20(39)28(37)31(24,2)3/h20-30,39-43H,9-18H2,1-8H3/t20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30-,33+,34-,35+,36-,37+/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O,C37H60O10,pos_1_1proton1isopropanol,664.41864812,KILZIJKCZIGLFJ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus galegiformis,530209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus malacophyllus'],6,0,6.0 3775,10505,-1,,,,0.0,MS1_match,KILZIJKCZIGLFJ-MQIDFZSJSA-N,"InChI=1S/C37H60O10/c1-19(38)45-27-26(42)22(41)17-44-30(27)46-24-10-12-37-18-36(37)14-13-33(6)29(35(8)11-9-25(47-35)32(4,5)43)21(40)16-34(33,7)23(36)15-20(39)28(37)31(24,2)3/h20-30,39-43H,9-18H2,1-8H3/t20-,21-,22+,23-,24-,25+,26-,27+,28?,29-,30-,33+,34-,35-,36-,37+/m1/s1",CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@@H](O)C4C2(C)C)OC[C@H](O)[C@H]1O,C37H60O10,pos_1_1proton1isopropanol,664.41864812,KILZIJKCZIGLFJ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus falcatus,868704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus falcatus'],6,0,6.0 3776,10503,998,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.56617975,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,3,7.764719009399414 3777,10499,2226,Terpenoids,Steroids,Ergostane steroids,0.42630553,ISDB,MYQAIYGVAHDZRD-JUIQTESCSA-N,"InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,19-21,23,25,27,30H,7,12,14-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H44O,,408.339216028,MYQAIYGVAHDZRD,Terpenoids,Steroids,Ergostane steroids,Actinidia chinensis var. deliciosa,279986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia deliciosa'],4,3,7.205222129821777 3778,10498,2945,,,,0.5359154,ISDB,,,,,,,PEQAFOAATUJIMD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1436614990234375 3779,10497,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.5249299,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,2,10.099719524383545 3780,10496,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.49431562,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,3,10.477262496948242 3781,10495,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8057512,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.223004817962646 3782,10495,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8057512,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.223004817962646 3783,10494,2616,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3784,10492,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.3885076,ISDB,,,,,,,JTASDJAAGPYWIP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.554030418395996 3785,10490,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.3574853,ISDB,UCIFEGQRTGNKQJ-NWHPGISFSA-N,"InChI=1S/C32H50O6/c1-18(16-21(36-19(2)33)25-27(5,6)37-25)31-15-14-30(9)29(8)13-10-22-26(3,4)23(35)11-12-28(22,7)24(29)20(34)17-32(30,31)38-31/h18,20-22,24-25,34H,10-17H2,1-9H3/t18-,20+,21+,22-,24+,25-,28+,29+,30-,31-,32-/m1/s1",CC(=O)O[C@@H](C[C@@H](C)[C@]12CC[C@@]3(C)[C@@]1(C[C@H](O)[C@H]1[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]13C)O2)[C@H]1OC1(C)C,C32H50O6,,530.36073932,UCIFEGQRTGNKQJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alisma plantago-aquatica,484565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Alismataceae'],['Unknown'],['Alisma'],['Alisma plantago-aquatica'],4,3,6.929941177368164 3786,10489,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,8.0 3787,10489,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,8.0 3788,10486,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5133644,ISDB,SOJWLJKPIIODOH-QRVBRYPASA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,2,8.053457498550415 3789,10485,910,Terpenoids,Steroids,Androstane steroids,0.73654795,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.446191787719727 3790,10484,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6680666,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6722664833068848 3791,10483,2804,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.20269118,ISDB,TYLGSFWEJKPDQE-VBLNRODASA-N,"InChI=1S/C33H50O5/c1-19(2)10-9-11-20(28(35)37-8)26-27-23(38-29(26)36)18-33(7)22-12-13-24-30(3,4)25(34)15-16-31(24,5)21(22)14-17-32(27,33)6/h10,12,20-21,23-24,26-27,29,36H,9,11,13-18H2,1-8H3/t20-,21?,23+,24+,26+,27+,29+,31-,32+,33-/m1/s1",COC(=O)[C@H](CCC=C(C)C)[C@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4CC[C@@]23C)O[C@@H]1O,C33H50O5,,526.3658247,TYLGSFWEJKPDQE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Melia volkensii,991935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia volkensii'],4,3,6.310764729976654 3792,10482,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RLVAVWQAAQFUOP-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C35H56O8,pos_1_1sodium,604.397518752,RLVAVWQAAQFUOP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3793,10482,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ZJQWQSQAAISKMX-GZKZZVJFSA-N,"InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O8,pos_1_1sodium,604.397518752,ZJQWQSQAAISKMX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3794,10482,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OPZZIOQITZJLAK-SAJAARKZSA-N,"InChI=1S/C35H56O8/c1-20(2)23(37)11-17-35(9,41)22-10-15-34(8)30(22)24(42-21(3)36)18-26-32(6)14-13-27(43-29(40)19-28(38)39)31(4,5)25(32)12-16-33(26,34)7/h22-27,30,37,41H,1,10-19H2,2-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O8,pos_1_1sodium,604.397518752,OPZZIOQITZJLAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3795,10482,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YYZGCFAOJNBCNR-NDWLBAEDSA-N,"InChI=1S/C35H56O8/c1-21(36)42-23-19-25-32(6)16-13-26(43-28(39)20-27(37)38)31(4,5)24(32)12-18-33(25,7)34(8)17-11-22(29(23)34)35(9,41)15-10-14-30(2,3)40/h10,14,22-26,29,40-41H,11-13,15-20H2,1-9H3,(H,37,38)/b14-10+/t22-,23+,24-,25+,26+,29-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O8,pos_1_1sodium,604.397518752,YYZGCFAOJNBCNR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 3796,10481,1184,Terpenoids,Diterpenoids,Gibberellins,0.82650983,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,9.806039333343506 3797,10481,1184,Terpenoids,Diterpenoids,Gibberellins,0.82650983,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.806039333343506 3798,10479,-1,,,,0.5099658,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.039863109588623 3799,10476,879,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.4013392,ISDB,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.105356812477112 3800,10472,2560,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,0.53117365,ISDB,FHEJLVSXCHPHAN-FPLPWBNLSA-N,"InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(28)21(26)18(2)22(27)24(20)29-19(3)25/h7-8,26H,4-6,9-17H2,1-3H3/b8-7-",CCCC/C=C\CCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(O)C1=O,C24H36O5,,404.256274252,FHEJLVSXCHPHAN,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Maesa lanceolata,607844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Maesa'],['Maesa lanceolata'],3,3,6.624694585800171 3801,10469,57,Terpenoids,Steroids,Cardenolides,0.49797806,ISDB,,,,,,,NLDDAQSAGIEQAK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9919122457504272 3802,10468,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5033306,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.513322353363037 3803,10463,-1,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1sodium,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3804,10463,-1,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1sodium,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3805,10462,-1,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton1ammonium,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 3806,10462,-1,,,,0.0,MS1_match,BSSJNTUYJIJBEJ-UHFFFAOYSA-N,"InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)28-22-18-17-21(20-25)19-23(22)27-2/h17-20H,3-16H2,1-2H3",CCCCCCCCCCCCCCCC(=O)Oc1ccc(C=O)cc1OC,C24H38O4,pos_1_1proton1ammonium,390.277009696,BSSJNTUYJIJBEJ,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 3807,10461,-1,,,,0.47093365,ISDB,YEJNIBFGDXBKPG-SNEYCHJSSA-N,"InChI=1S/C25H36O/c1-16(2)5-6-17(3)23-11-12-24-22-9-7-18-15-19(26)8-10-20(18)21(22)13-14-25(23,24)4/h5-6,8,10,15-17,21-24,26H,7,9,11-14H2,1-4H3/b6-5+/t17-,21-,22-,23-,24+,25-/m1/s1",CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,C25H36O,,352.276615772,YEJNIBFGDXBKPG,Terpenoids,Steroids,Cholestane steroids,Dendronephthya studeri,3679477.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Dendronephthya'],['Dendronephthya studeri'],1,0,2.8837345838546753 3808,10460,2805,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6410931,ISDB,CZKLJNQQXWVVGP-LBPRGKRZSA-N,"InChI=1S/C14H20O/c1-9(2)12-6-4-5-11-8-14(15)10(3)7-13(11)12/h7-9,12,15H,4-6H2,1-3H3/t12-/m0/s1",Cc1cc2c(cc1O)CCC[C@H]2C(C)C,C14H20O,,204.15141526,CZKLJNQQXWVVGP,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca grandiflora,3898467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,8.064372301101685 3809,10459,349,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.68643737,ISDB,LDQHURFLDDRWGZ-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)cc1OC,C11H14O,,162.104465068,LDQHURFLDDRWGZ,Terpenoids,Monoterpenoids,,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],4,2,7.745749473571777 3810,10459,349,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.68643737,ISDB,LDQHURFLDDRWGZ-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)cc1OC,C11H14O,,162.104465068,LDQHURFLDDRWGZ,Terpenoids,Monoterpenoids,,Calea pilosa,7606941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea pilosa'],4,2,7.745749473571777 3811,10457,2015,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.44076812,ISDB,BDINBSUUIUWFNH-UHFFFAOYSA-N,"InChI=1S/C8H12O/c1-6-4-7(9)5-8(6,2)3/h4H,5H2,1-3H3",CC1=CC(=O)CC1(C)C,C8H12O,,124.088815004,BDINBSUUIUWFNH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.263072490692139 3812,10456,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6748757,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.19950270652771 3813,10456,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6748757,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.19950270652771 3814,10455,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.5063653,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,6.525461196899414 3815,10454,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.6343054,ISDB,DDVIVMMKNAZNJE-FXBCZQQTSA-N,"InChI=1S/C30H36O3/c1-15(2)20-9-8-17(5)28-23(20)11-19(7)29-24(28)14-30(32)25-13-26(31)18(6)10-22(25)21(16(3)4)12-27(30)33-29/h8-11,13,15-16,21,27,31-32H,12,14H2,1-7H3/t21-,27+,30+/m0/s1",Cc1cc2c(cc1O)[C@]1(O)Cc3c(c(C)cc4c(C(C)C)ccc(C)c34)O[C@@H]1C[C@H]2C(C)C,C30H36O3,,444.266445012,DDVIVMMKNAZNJE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,2,6.537221670150757 3816,10452,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.6254672,ISDB,DDVIVMMKNAZNJE-FXBCZQQTSA-N,"InChI=1S/C30H36O3/c1-15(2)20-9-8-17(5)28-23(20)11-19(7)29-24(28)14-30(32)25-13-26(31)18(6)10-22(25)21(16(3)4)12-27(30)33-29/h8-11,13,15-16,21,27,31-32H,12,14H2,1-7H3/t21-,27+,30+/m0/s1",Cc1cc2c(cc1O)[C@]1(O)Cc3c(c(C)cc4c(C(C)C)ccc(C)c34)O[C@@H]1C[C@H]2C(C)C,C30H36O3,,444.266445012,DDVIVMMKNAZNJE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,2,6.501868724822998 3817,10450,-1,,,,0.3438584,ISDB,ZORBIEXXHYHNFM-DZDVKVCLSA-N,"InChI=1S/C32H50O5/c1-19(33)37-22-18-31(8)23(29(6)12-11-24(34)28(4,5)25(22)29)10-9-20-21-17-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h9,21-25,34H,10-18H2,1-8H3,(H,35,36)/t21-,22+,23-,24+,25+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)[C@H](CC=C3[C@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]32C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]12,C32H50O5,,514.3658247,ZORBIEXXHYHNFM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula utilis,922610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula utilis'],7,0,8.375433564186096 3818,10449,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611835,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.544734001159668 3819,10449,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611835,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.544734001159668 3820,10449,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611835,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.544734001159668 3821,10449,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611835,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.544734001159668 3822,10449,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611835,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.544734001159668 3823,10448,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,LLECJKCNZWHQRD-WRNUKHMMSA-N,"InChI=1S/C39H58O4/c1-26(2)10-9-22-39(8,42)30-19-24-37(6)29(30)16-17-32-36(5)23-21-33(35(3,4)31(36)20-25-38(32,37)7)43-34(41)18-13-27-11-14-28(40)15-12-27/h10-15,18,29-33,40,42H,9,16-17,19-25H2,1-8H3/b18-13+/t29-,30+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O4,pos_1_minus1proton1iron,590.433510336,LLECJKCNZWHQRD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 3824,10447,-1,,,,0.39530528,ISDB,OTTULKBJOIKGDJ-RGBRLNNHSA-N,"InChI=1S/C34H54O7/c1-19(35)40-27-13-15-33(8)25-12-14-32(7)22(21-16-23(37)29(38)31(5,6)39-18-21)10-11-24(32)34(25,9)28(41-20(2)36)17-26(33)30(27,3)4/h11,21-23,25-29,37-38H,10,12-18H2,1-9H3/t21-,22-,23+,25+,26-,27+,28+,29-,32-,33+,34-/m0/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4[C@@H]4COC(C)(C)[C@@H](O)[C@H](O)C4)[C@]3(C)[C@H](OC(C)=O)C[C@H]2C1(C)C,C34H54O7,,574.386954068,OTTULKBJOIKGDJ,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Chisocheton cumingianus,123895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Chisocheton'],['Chisocheton cumingianus'],4,0,5.581221103668213 3825,10446,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6533732,ISDB,CXYRTWBYTTYNDF-ZGZBGPTMSA-N,"InChI=1S/C30H46O4/c1-18-15-29(33-23(18)32)16-19(2)30(34-29)14-11-25(5)21-8-7-20-24(3,4)22(31)9-10-27(20)17-28(21,27)13-12-26(25,30)6/h18-22,31H,7-17H2,1-6H3/t18-,19-,20+,21+,22-,25+,26+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@@]57CC[C@@]43C)O2)OC1=O,C30H46O4,,470.33960995199993,CXYRTWBYTTYNDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,9.613492727279663 3826,10445,1049,Terpenoids,Fatty Acids and Conjugates,Aphidicolane diterpenoids,0.0,MS1_match,XEJKMPUDEZRWRD-ARQDATDDSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+",CC/C=C/C=C/C=C/CCCC(C(=O)O)C12C=CC3C4C(CC31)C42,C22H28O2,pos_1_1proton1ethylamine,324.208930136,XEJKMPUDEZRWRD,Polyketides,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 3827,10443,-1,,,,0.64149,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,0,6.565959930419922 3828,10443,-1,,,,0.64149,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,0,6.565959930419922 3829,10443,-1,,,,0.64149,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,0,6.565959930419922 3830,10443,-1,,,,0.64149,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.565959930419922 3831,10443,-1,,,,0.64149,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,0,6.565959930419922 3832,10443,-1,,,,0.64149,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,0,6.565959930419922 3833,10443,-1,,,,0.64149,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,0,6.565959930419922 3834,10442,2662,Terpenoids,Triterpenoids,Lupane triterpenoids,0.63289326,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Lophopetalum wallichii,6092907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lophopetalum'],['Lophopetalum wallichii'],4,3,8.031573057174683 3835,10442,2662,Terpenoids,Triterpenoids,Lupane triterpenoids,0.63289326,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Kokoona ochracea,6092883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona ochracea'],4,3,8.031573057174683 3836,10442,2662,Terpenoids,Triterpenoids,Lupane triterpenoids,0.63289326,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Elaeodendron xylocarpum,806635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron xylocarpum'],4,3,8.031573057174683 3837,10440,-1,,,,0.5437981,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,10.17519235610962 3838,10436,1794,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,0.6063829,ISDB,IVGYNKMUKVTWBT-ZNABNZNXSA-N,"InChI=1S/C30H48/c1-20(2)21-11-13-28(6)22(21)12-14-30(8)25(28)10-9-23-24-19-26(3,4)15-16-27(24,5)17-18-29(23,30)7/h9,12,20-21,24-25H,10-11,13-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C,C30H48,,408.375601536,IVGYNKMUKVTWBT,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,7.925531625747681 3839,10433,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3982719,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,9.093087553977966 3840,10433,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3982719,ISDB,JWBQJSCILWCBJO-QSYBAQJGSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.093087553977966 3841,10433,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3982719,ISDB,JWBQJSCILWCBJO-ARMVFMLXSA-N,"InChI=1S/C30H44O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24H,9-16H2,1-7H3/t18-,20-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O3,,452.329045268,JWBQJSCILWCBJO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.093087553977966 3842,10432,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,DMYISGJMGRTXJW-PZJWPPBQSA-N,"InChI=1S/C21H30O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-11,13,19H,7-9,12H2,1-6H3/t19-,21+/m0/s1",COc1cc2c(cc1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C21H30O2,pos_1_1proton,314.2245802,DMYISGJMGRTXJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 3843,10426,-1,,,,0.0,MS1_match,NAMLDTWANUOXLT-PLYASPIUSA-N,"InChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29+,30-,31-/m1/s1",CC(C)C[C@@H](C(=O)N[C@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1)N(C)C,C34H40N4O4,pos_1_1proton1methanol,568.30495576,NAMLDTWANUOXLT,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 3844,10422,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.64195925,ISDB,IYXBTKNDTJJVGH-XKHAUXSQSA-N,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)21(25)18-17-20(24)22(23)26/h9-10,17-18,20,22,24,26-27H,2-8,11-16,19H2,1H3/b10-9-/t20-,22+,23-/m0/s1",CCCCCCCC/C=C\CCCCCCC[C@]1(O)C(=O)C=C[C@H](O)[C@H]1O,C23H40O4,,380.2926597599999,IYXBTKNDTJJVGH,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Pleiogynium timoriense,405980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pleiogynium'],['Pleiogynium timoriense'],4,3,8.067836999893188 3845,10422,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.64195925,ISDB,IYXBTKNDTJJVGH-XKHAUXSQSA-N,"InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)21(25)18-17-20(24)22(23)26/h9-10,17-18,20,22,24,26-27H,2-8,11-16,19H2,1H3/b10-9-/t20-,22+,23-/m0/s1",CCCCCCCC/C=C\CCCCCCC[C@]1(O)C(=O)C=C[C@H](O)[C@H]1O,C23H40O4,,380.2926597599999,IYXBTKNDTJJVGH,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Pleiogynium timorense,405980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pleiogynium'],['Pleiogynium timoriense'],4,3,8.067836999893188 3846,10420,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,AKCWKACKPGSALW-MJLBXUHQSA-N,"InChI=1S/C20H34O4/c1-7-20(6,23)13-9-12-17(11-8-10-16(2)3)15-24-18(21)14-19(4,5)22/h7,10,12,22-23H,1,8-9,11,13-15H2,2-6H3/b17-12-/t20-/m1/s1",C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O,C20H34O4,pos_1_1proton1isopropanol,338.245709568,AKCWKACKPGSALW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],6,0,6.0 3847,10420,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,NESNZFKXFINLSW-YBINERFMSA-N,"InChI=1S/C20H34O4/c1-17(2)14-6-7-19-8-12(20(24,10-19)11-21)4-5-15(19)18(14,3)9-13(22)16(17)23/h12-16,21-24H,4-11H2,1-3H3/t12-,13+,14-,15+,16-,18-,19+,20+/m1/s1",CC1(C)[C@H](O)[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C20H34O4,pos_1_1proton1isopropanol,338.245709568,NESNZFKXFINLSW,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,0,6.0 3848,10414,198,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_1_1proton2acetonitrile,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 3849,10414,198,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_1_1proton2acetonitrile,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 3850,10414,198,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,IGZIQAJJXGRAJF-TXZPEUJSSA-N,"InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton2acetonitrile,348.157288488,IGZIQAJJXGRAJF,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 3851,10414,198,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-WWSAFQOPSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton2acetonitrile,348.1572884879999,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 3852,10414,198,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-WWSAFQOPSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton2acetonitrile,348.1572884879999,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 3853,10412,377,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.6519303,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],3,1,6.1077210903167725 3854,10411,-1,,,,0.44122174,ISDB,XBYQIXXWXUWOEH-LBNVEQTCSA-N,"InChI=1S/C31H48O3/c1-27(2)22-11-14-29(5)18-19-20(9-10-23(29)31(22,7)15-12-25(27)33)30(6)16-13-26(34-8)28(3,4)24(30)17-21(19)32/h22-24,26H,9-18H2,1-8H3/t22-,23-,24-,26-,29-,30+,31-/m0/s1",CO[C@H]1CC[C@]2(C)C3=C(C[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC3)C(=O)C[C@H]2C1(C)C,C31H48O3,,468.360345396,XBYQIXXWXUWOEH,Terpenoids,Triterpenoids,Serratane triterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,0,7.764886975288391 3855,10408,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5833181,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.333272457122803 3856,10404,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51550114,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.562004566192627 3857,10403,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.25173265,ISDB,DQYLYINTYRNUAK-AKACLTSDSA-N,"InChI=1S/C30H46O4/c1-19(2)23-14-18-30(7)25(28(23,5)16-15-26(31)32)12-11-24-22(13-17-29(24,30)6)20(3)9-8-10-21(4)27(33)34/h10,22-25H,1,3,8-9,11-18H2,2,4-7H3,(H,31,32)(H,33,34)/b21-10+/t22-,23+,24-,25+,28+,29-,30-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C,C30H46O4,,470.339609952,DQYLYINTYRNUAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,2,9.006930589675903 3858,10400,1279,,,,0.7000332,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8001327514648438 3859,10397,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40733883,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.129355311393738 3860,10393,192,Terpenoids,Diterpenoids,Cassane diterpenoids,0.23031744,ISDB,VMJXBULAZAIARU-TZYAJKAJSA-N,"InChI=1S/C24H34O5/c1-17-5-4-6-20-23(17,2)13-10-19(16-29-22(27)8-7-21(25)26)24(20,3)12-9-18-11-14-28-15-18/h5,11,14-15,19-20H,4,6-10,12-13,16H2,1-3H3,(H,25,26)/t19-,20-,23-,24-/m0/s1",CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](COC(=O)CCC(=O)O)CC[C@@]12C,C24H34O5,,402.240624188,VMJXBULAZAIARU,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis bolivensis,715543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis boliviensis'],3,2,4.921269774436951 3861,10393,192,Terpenoids,Diterpenoids,Cassane diterpenoids,0.23031744,ISDB,VMJXBULAZAIARU-TZYAJKAJSA-N,"InChI=1S/C24H34O5/c1-17-5-4-6-20-23(17,2)13-10-19(16-29-22(27)8-7-21(25)26)24(20,3)12-9-18-11-14-28-15-18/h5,11,14-15,19-20H,4,6-10,12-13,16H2,1-3H3,(H,25,26)/t19-,20-,23-,24-/m0/s1",CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](COC(=O)CCC(=O)O)CC[C@@]12C,C24H34O5,,402.240624188,VMJXBULAZAIARU,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis boliviensis,715543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis boliviensis'],3,2,4.921269774436951 3862,10392,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6844821,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.23792839050293 3863,10391,-1,,,,0.6131702,ISDB,RXRAZJRTCFIDPT-FIPPKAKLSA-N,"InChI=1S/C32H44O7/c1-18-8-11-23(38-26(18)35)30(7,36)22-12-14-28(5)21-10-9-20-27(3,4)39-25(34)13-15-31(20)17-32(21,31)16-24(29(22,28)6)37-19(2)33/h8,13,15,20-24,36H,9-12,14,16-17H2,1-7H3/t20-,21-,22-,23-,24-,28-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@H]1C[C@@]23C[C@@]24C=CC(=O)OC(C)(C)[C@@H]4CC[C@H]3[C@]2(C)CC[C@H]([C@@](C)(O)[C@@H]3CC=C(C)C(=O)O3)[C@@]12C,C32H44O7,,540.308703748,RXRAZJRTCFIDPT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Kadsura heteroclita,533187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Kadsura'],['Kadsura heteroclita'],3,0,5.452680826187134 3864,10387,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4051784,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.120713591575623 3865,10383,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6051717,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.920686721801758 3866,10381,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.92038375,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.181535005569458 3867,10381,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.92038375,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.181535005569458 3868,10377,-1,,,,0.4149834,ISDB,,,,,,,MKTHNJPTUZGQKW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6599335670471191 3869,10376,413,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.4656149,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,3,9.362459659576416 3870,10374,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.2785545,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.61421799659729 3871,10373,-1,,,,0.35815805,ISDB,,,,,,,JYCRDAOPMDFYFX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4326322078704834 3872,10372,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5537243,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.714897155761719 3873,10370,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5182131,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.572852373123169 3874,10370,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5182131,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.572852373123169 3875,10368,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34944338,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.897773504257202 3876,10368,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34944338,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.897773504257202 3877,10367,1362,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4782495,ISDB,,,,,,,CEKIFRQTNCLAOR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9129979610443115 3878,10366,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 3879,10364,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.23184554,ISDB,RNIUPZYYTVVUNU-PXDRNWIDSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,20,22-23H,2-5,8-19H2,1H3/b7-6-/t20-/m1/s1",CCCCC/C=C\CCCCCCCCCCC(=O)OC[C@H](O)CO,C21H40O4,,356.29265976,RNIUPZYYTVVUNU,Fatty acids,Glycerolipids,Monoacylglycerols,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],4,3,6.427382171154022 3880,10363,-1,,,,0.20325533,ISDB,FITFAFMCWGCVDQ-LJQANCHMSA-N,"InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m1/s1",O[C@H](CCCCc1ccccc1)CCc1ccccc1,C19H24O,,268.182715388,FITFAFMCWGCVDQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,0,6.813021302223206 3881,10362,-1,,,,0.0,MS1_match,VGVAABHRCNAZRM-WNWTZUNUSA-N,"InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,12,20,22-24H,1,8-9,11,13-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.339609952,VGVAABHRCNAZRM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies koreana,876314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies koreana'],6,0,6.0 3882,10362,-1,,,,0.0,MS1_match,MVAVKBNRFPVKBI-JGJYTGRCSA-N,"InChI=1S/C30H46O4/c1-18-16-20(34-25(18)32)17-19(2)30(33)15-14-28(6)22-8-9-23-26(3,4)24(31)11-12-27(23,5)21(22)10-13-29(28,30)7/h18-20,23,33H,8-17H2,1-7H3/t18-,19-,20+,23+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@@H](C[C@@H](C)[C@@]2(O)CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,MVAVKBNRFPVKBI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3883,10362,-1,,,,0.0,MS1_match,SWNDPAJZSJXBSI-NDBZAIKDSA-N,"InChI=1S/C30H46O4/c1-18(8-7-9-19(2)25(33)34)20-16-24(32)28(6)22-11-10-21-26(3,4)23(31)12-13-29(21)17-30(22,29)15-14-27(20,28)5/h9,18,20-22,24,32H,7-8,10-17H2,1-6H3,(H,33,34)/b19-9+/t18-,20-,21+,22+,24-,27-,28-,29-,30+/m1/s1",C/C(=C\CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,SWNDPAJZSJXBSI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3884,10362,-1,,,,0.0,MS1_match,XGSFPXSWXKXIAO-ONOYHJLFSA-N,"InChI=1S/C30H46O4/c1-17(13-19-14-18(2)25(33)34-19)20-15-24(32)28(6)22-8-7-21-26(3,4)23(31)9-10-29(21)16-30(22,29)12-11-27(20,28)5/h14,17,19-24,31-32H,7-13,15-16H2,1-6H3/t17-,19-,20-,21+,22+,23-,24-,27-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@H](O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,XGSFPXSWXKXIAO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3885,10362,-1,,,,0.0,MS1_match,RGXBCSRGWBMBCF-YPPHMNHGSA-N,"InChI=1S/C30H46O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19-21,23,25,31-32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,20+,21-,23+,25-,28+,29-,30+/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.339609952,RGXBCSRGWBMBCF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 3886,10362,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)",C=C(C)C1CC=C2C(CCC3(C)C(C(C)CC4CC(C)C(=O)O4)CCC23C)C1(C)CCC(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.339609952,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 3887,10362,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 3888,10362,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 3889,10362,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)",C=C(C)C1CC=C2C(CCC3(C)C(C(C)CC4CC(C)C(=O)O4)CCC23C)C1(C)CCC(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.339609952,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 3890,10362,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 3891,10362,-1,,,,0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 3892,10362,-1,,,,0.0,MS1_match,UPHZQTDFAGIZQK-DHSGVFBSSA-N,"InChI=1S/C30H46O4/c1-18(26(33)34)16-20(31)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(32)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16,19-20,22,24-25,31-32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,20+,22-,24+,25-,28-,29+,30-/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.339609952,UPHZQTDFAGIZQK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 3893,10362,-1,,,,0.0,MS1_match,CXYRTWBYTTYNDF-ZGZBGPTMSA-N,"InChI=1S/C30H46O4/c1-18-15-29(33-23(18)32)16-19(2)30(34-29)14-11-25(5)21-8-7-20-24(3,4)22(31)9-10-27(20)17-28(21,27)13-12-26(25,30)6/h18-22,31H,7-17H2,1-6H3/t18-,19-,20+,21+,22-,25+,26+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@@]57CC[C@@]43C)O2)OC1=O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,CXYRTWBYTTYNDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 3894,10362,-1,,,,0.0,MS1_match,LPNSAXKZEFPRKW-CJALRUASSA-N,"InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24,31H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,LPNSAXKZEFPRKW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 3895,10362,-1,,,,0.0,MS1_match,MKPNQZDUYFWCKB-UAFBEPASSA-N,"InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h17-18,20-21,24,31H,8-16H2,1-7H3,(H,33,34)/b19-17+/t18-,20+,21-,24+,28-,29-,30+/m1/s1",C/C(=C\[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O,C30H46O4,pos_1_minus1proton2sodium,470.33960995199993,MKPNQZDUYFWCKB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 3896,10359,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.2710083,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0840332508087158 3897,10353,347,Terpenoids,Triterpenoids,Cholestane steroids,0.8783728,ISDB,YUSDAIOPDKDIHW-JMHIKJOSSA-N,"InChI=1S/C30H42O3/c1-16(2)22-24(31)23-18-10-9-17(3)19-14-21-27(6,7)32-25(22)30(21)29(19,23)15-28(33-30)12-8-11-26(4,5)20(28)13-18/h9,16,18-21,23H,8,10-15H2,1-7H3/t18-,19-,20+,21+,23-,28+,29+,30+/m1/s1",CC1=CC[C@@H]2C[C@H]3C(C)(C)CCC[C@]34C[C@]35[C@@H]1C[C@H]1C(C)(C)OC(=C(C(C)C)C(=O)[C@@H]23)[C@@]15O4,C30H42O3,,450.313395204,YUSDAIOPDKDIHW,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia bucharica,448587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia bucharica'],4,1,8.013491153717041 3898,10352,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1isopropanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 3899,10352,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1isopropanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 3900,10352,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1isopropanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 3901,10352,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JAFZKPLEKRHFFD-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O,C26H44O8,pos_1_1proton1isopropanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 3902,10352,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1isopropanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 3903,10352,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1isopropanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,3,7.5 3904,10352,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1isopropanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 3905,10352,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,CWDBCXIAEGDANA-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCO,C26H44O8,pos_1_1proton1isopropanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,3,7.5 3906,10351,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3907,10351,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3908,10351,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3909,10351,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3910,10351,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 3911,10349,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.41718674,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.1687469482421875 3912,10348,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36549276,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.961971044540405 3913,10348,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36549276,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.961971044540405 3914,10347,644,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.28844798,ISDB,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.653791904449463 3915,10345,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9101349,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.140539646148682 3916,10345,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9101349,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.140539646148682 3917,10344,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5670544,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.76821756362915 3918,10344,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5670544,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.76821756362915 3919,10344,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5670544,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.76821756362915 3920,10344,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5670544,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.76821756362915 3921,10344,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5670544,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.76821756362915 3922,10344,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5670544,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.76821756362915 3923,10344,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5670544,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.76821756362915 3924,10344,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5670544,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus heldreichii,830812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus heldreichii'],6,3,9.76821756362915 3925,10343,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3604067,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.941626787185669 3926,10342,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5551905,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.720762014389038 3927,10341,-1,,,,0.49687028,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,8.987481117248535 3928,10340,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5636221,ISDB,FORKGDHQGWOTTB-QDHGOWRDSA-N,"InChI=1S/C30H44O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17-,18-,19-,20+,21+,23+,26-,27+,28-,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O,C30H44O4,,468.32395988799993,FORKGDHQGWOTTB,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,2,9.254488468170166 3929,10339,76,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.35834256,ISDB,XSTHELSWBAYTOI-VBLLDVAJSA-N,"InChI=1S/C46H62O9/c1-22-9-11-30-41(3,4)32(49)13-15-43(30,7)45(22)19-26-28(47)17-24-21-52-40-35-25(36(51)39(53-40)34(24)37(26)54-45)18-29(48)27-20-46(55-38(27)35)23(2)10-12-31-42(5,6)33(50)14-16-44(31,46)8/h17-18,22-23,30-33,36,39-40,47-51H,9-16,19-21H2,1-8H3/t22-,23-,30+,31+,32-,33-,36-,39-,40-,43+,44+,45-,46-/m1/s1",C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)[C@@H]1OCc2cc(O)c4c(c2[C@@H](O1)[C@@H]3O)O[C@]1(C4)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C,C46H62O9,,758.439383564,XSTHELSWBAYTOI,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Stachybotrys chartarum,735919.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Unknown'],['Unknown'],['Stachybotrys'],['Stachybotrys chartarum'],1,3,3.9333702325820923 3930,10337,275,Terpenoids,Diterpenoids,Spirostane steroids,0.49692592,ISDB,IFYYILLQBMRJSK-AQGGARRLSA-N,"InChI=1S/C27H36O5/c1-25-11-7-10-20(24(29)31-3)22(25)21(32-23(28)17-8-5-4-6-9-17)15-18-14-19-16-27(18,25)13-12-26(19,2)30/h4-6,8-9,18-22,30H,7,10-16H2,1-3H3/t18-,19-,20-,21-,22+,25+,26-,27?/m1/s1",COC(=O)[C@@H]1CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H]3CC12CC[C@@]3(C)O,C27H36O5,,440.256274252,IFYYILLQBMRJSK,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],3,2,5.9877036809921265 3931,10335,1824,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.24552074,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.482082962989807 3932,10334,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5485848,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.694339275360107 3933,10334,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5485848,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.694339275360107 3934,10333,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5255799,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,7.102319717407227 3935,10333,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5255799,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,7.102319717407227 3936,10332,-1,,,,0.0,MS1_match,FYODXPUPZMUKOK-DHXCXNBESA-N,"InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O7,pos_1_1proton2acetonitrile,588.402604132,FYODXPUPZMUKOK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 3937,10332,-1,,,,0.0,MS1_match,FYODXPUPZMUKOK-DHXCXNBESA-N,"InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O7,pos_1_1proton2acetonitrile,588.402604132,FYODXPUPZMUKOK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 3938,10332,-1,,,,0.0,MS1_match,FYODXPUPZMUKOK-DHXCXNBESA-N,"InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O7,pos_1_1proton2acetonitrile,588.402604132,FYODXPUPZMUKOK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 3939,10331,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.22588381,ISDB,MPVDCZKYHJVWAC-LAETZAJFSA-N,"InChI=1S/C37H64O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(38)41-29-26-30(2)22-24-32-31(3)23-25-33-36(32,4)27-20-28-37(33,5)35(39)40-6/h26,32-33H,3,7-25,27-29H2,1-2,4-6H3/b30-26+/t32-,33+,36+,37-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCC,C37H64O4,,572.480460528,MPVDCZKYHJVWAC,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis var. communis,869358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],3,3,5.40353524684906 3940,10331,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.22588381,ISDB,MPVDCZKYHJVWAC-LAETZAJFSA-N,"InChI=1S/C37H64O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(38)41-29-26-30(2)22-24-32-31(3)23-25-33-36(32,4)27-20-28-37(33,5)35(39)40-6/h26,32-33H,3,7-25,27-29H2,1-2,4-6H3/b30-26+/t32-,33+,36+,37-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCC,C37H64O4,,572.480460528,MPVDCZKYHJVWAC,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],3,3,5.40353524684906 3941,10329,889,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5918873,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.867549180984497 3942,10328,-1,,,,0.6545036,ISDB,HREJLPFUKDHGCI-RFODAVDNSA-N,"InChI=1S/C23H26N2O7/c1-24-6-5-21-11-3-4-12(30-2)19(28)18(11)25-16(27)7-13-17(20(21)25)22(29,8-14(21)26)23(10-24)15(32-23)9-31-13/h3-4,13,15,17,20,28-29H,5-10H2,1-2H3/t13-,15-,17+,20+,21-,22+,23-/m1/s1",COc1ccc2c(c1O)N1C(=O)C[C@H]3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@]5(O)[C@@H]3[C@H]14,C23H26N2O7,,442.174001172,HREJLPFUKDHGCI,Alkaloids,Tryptophan alkaloids,Strychnos type,Strychnos icaja,420751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos icaja'],3,0,5.618014335632324 3943,10326,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.2329011,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,2,6.931604385375977 3944,10325,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3671088,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.968435168266296 3945,10325,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3671088,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.968435168266296 3946,10324,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5528622,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.711448907852173 3947,10323,-1,,,,0.7403069,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9612276554107666 3948,10322,-1,,,,0.66755074,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.670202970504761 3949,10322,-1,,,,0.66755074,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.670202970504761 3950,10321,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.70028836,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.3011534214019775 3951,10320,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.83505887,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.840235471725464 3952,10319,1272,,,,0.7018425,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8073699474334717 3953,10318,-1,,,,0.42873642,ISDB,YOJOMKQXHBDBOK-IBPQCQHASA-N,"InChI=1S/C24H26O8/c1-6-9-23-11-19(31-14(3)25)21(27)24(28-5,22(23)32-15(4)26)20(13(23)2)16-7-8-17-18(10-16)30-12-29-17/h6-8,10-11,13,20,22H,1,9,12H2,2-5H3/t13-,20+,22?,23-,24+/m0/s1",C=CC[C@@]12C=C(OC(C)=O)C(=O)[C@@](OC)(C1OC(C)=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C,C24H26O8,,442.162767792,YOJOMKQXHBDBOK,Shikimates and Phenylpropanoids,Lignans,Neolignans,Ocotea catharinensis,251045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea catharinensis'],3,0,4.714945673942566 3954,10317,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.26035598,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,9.541423916816711 3955,10315,-1,,,,0.52751195,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],4,0,6.110047817230225 3956,10314,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.565012,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.760047912597656 3957,10313,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.44432223,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.277288913726807 3958,10312,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.54132205,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.665288209915161 3959,10312,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.54132205,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.665288209915161 3960,10311,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5502762,ISDB,BRUOADCBAUEUIC-UHFFFAOYSA-N,"InChI=1S/C38H54O10/c1-9-23(6)31-25(8)32(46-35(41)20(2)3)33(40)37(48-31)18-28-17-27(47-37)14-13-22(5)15-21(4)11-10-12-26-19-44-34-30(39)24(7)16-29(36(42)45-28)38(26,34)43/h9-13,16,20-21,25,27-34,39-40,43H,14-15,17-19H2,1-8H3",CC=C(C)C1OC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)C(O)C(OC(=O)C(C)C)C1C,C38H54O10,,670.371697928,BRUOADCBAUEUIC,Polyketides,Macrolides,Avermectins,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,0,2.2011048793792725 3961,10311,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5502762,ISDB,BRUOADCBAUEUIC-MLYFKYPGSA-N,"InChI=1S/C38H54O10/c1-9-23(6)31-25(8)32(46-35(41)20(2)3)33(40)37(48-31)18-28-17-27(47-37)14-13-22(5)15-21(4)11-10-12-26-19-44-34-30(39)24(7)16-29(36(42)45-28)38(26,34)43/h9-13,16,20-21,25,27-34,39-40,43H,14-15,17-19H2,1-8H3/b11-10+,22-13+,23-9+,26-12+/t21-,25+,27+,28-,29-,30+,31+,32-,33+,34?,37-,38+/m0/s1",C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\COC5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1C,C38H54O10,,670.371697928,BRUOADCBAUEUIC,Polyketides,Macrolides,Avermectins,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,2.2011048793792725 3962,10310,-1,,,,0.0,MS1_match,QHMLMONETUGTOY-LOWDKUBKSA-N,"InChI=1S/C32H52O4/c1-19-12-15-32(27(34)36-9)17-16-30(6)21(25(32)20(19)2)10-11-24-29(5)18-22(35-8)26(33)28(3,4)23(29)13-14-31(24,30)7/h10,19-20,22-26,33H,11-18H2,1-9H3/t19-,20+,22-,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C32H52O4,pos_2MH,500.3865601439999,QHMLMONETUGTOY,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 3963,10309,-1,,,,0.5322297,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,10.128918886184692 3964,10308,-1,,,,0.7307259,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,0,6.922903537750244 3965,10308,-1,,,,0.7307259,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,0,6.922903537750244 3966,10308,-1,,,,0.7307259,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,6.922903537750244 3967,10308,-1,,,,0.7307259,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,6.922903537750244 3968,10308,-1,,,,0.7307259,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,0,6.922903537750244 3969,10308,-1,,,,0.7307259,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,0,6.922903537750244 3970,10308,-1,,,,0.7307259,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,0,6.922903537750244 3971,10307,-1,,,,0.36965796,ISDB,FGPOGAUCGOZVPS-XBLVEGMJSA-N,"InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h7-10,13-16,19H,2-6,11-12H2,1H3/b8-7+,10-9+",CCCCCC/C=C/C=C/CCc1ccc(O)cc1,C18H26O,,258.198365452,FGPOGAUCGOZVPS,Polyketides,Aromatic polyketides,Catechols with side chains,Piper villiramulum,865488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper villiramulum'],4,0,5.478631854057312 3972,10305,2042,Alkaloids,Tryptophan alkaloids,Aspidosperma type,0.24450251,ISDB,DCDARNHBHIXVJO-UEQSERJNSA-N,"InChI=1S/C24H28N2O6/c1-30-15-5-6-18-16(13-15)22-10-12-25-11-4-7-21(24(22,25)29)8-9-23(22,26(18)20(28)32-3)17(14-21)19(27)31-2/h5-6,13-14,29H,4,7-12H2,1-3H3/t21-,22+,23-,24-/m1/s1",COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6cc(OC)ccc6N(C(=O)OC)[C@]15CC2)[C@@]43O,C24H28N2O6,,440.194736616,DCDARNHBHIXVJO,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia dasyrachis,6068071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia dasyrachis'],3,3,5.478010058403015 3973,10303,-1,,,,0.7404984,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.96199369430542 3974,10299,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.65857255,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.1342902183532715 3975,10299,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.65857255,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.1342902183532715 3976,10299,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.65857255,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.1342902183532715 3977,10299,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.65857255,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.1342902183532715 3978,10299,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.65857255,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.1342902183532715 3979,10298,-1,,,,0.2754719,ISDB,JKMGDISLOMKFOX-HZYGIUPKSA-N,"InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1",CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,C40H54O3,,582.407295588,JKMGDISLOMKFOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Fritschiella tuberosa,337374.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Chlorophyceae'],['Tetrasporales'],['Unknown'],['Unknown'],['Fritschiella'],['Fritschiella tuberosa'],2,0,3.101887583732605 3980,10297,-1,,,,0.3018073,ISDB,SERPESJFVFFAKV-QRVBRYPASA-N,"InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(OO)CCC[C@]21C,C19H28O2,,288.208930136,SERPESJFVFFAKV,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,6.207229256629944 3981,10296,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.73161745,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9264698028564453 3982,10294,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5547723,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.7190892696380615 3983,10294,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5547723,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.7190892696380615 3984,10291,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,pos_1_minus1proton2sodium,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 3985,10291,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,JFSHUTJDVKUMTJ-QHPUVITPSA-N,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H50O,pos_1_minus1proton2sodium,426.3861662199999,JFSHUTJDVKUMTJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 3986,10291,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,FSLPMRQHCOLESF-SFMCKYFRSA-N,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H50O,pos_1_minus1proton2sodium,426.38616622,FSLPMRQHCOLESF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 3987,10291,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,FSLPMRQHCOLESF-SFMCKYFRSA-N,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H50O,pos_1_minus1proton2sodium,426.38616622,FSLPMRQHCOLESF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 3988,10291,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,MQYXUWHLBZFQQO-QGTGJCAVSA-N,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O,pos_1_minus1proton2sodium,426.3861662199999,MQYXUWHLBZFQQO,Terpenoids,Triterpenoids,Lupane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 3989,10291,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,MQYXUWHLBZFQQO-QGTGJCAVSA-N,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O,pos_1_minus1proton2sodium,426.3861662199999,MQYXUWHLBZFQQO,Terpenoids,Triterpenoids,Lupane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 3990,10291,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,OFMXGFHWLZPCFL-SVRPQWSVSA-N,"InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C,C30H50O,pos_1_minus1proton2sodium,426.38616622,OFMXGFHWLZPCFL,Terpenoids,Triterpenoids,Friedelane triterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,2,7.0 3991,10290,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3987028,ISDB,ICSMWVXZVJFMRP-UHFFFAOYSA-N,"InChI=1S/C23H44N6O3/c24-11-3-14-25-12-1-2-13-26-15-4-16-27-17-5-19-29(32)20-6-18-28-23(31)21-7-9-22(30)10-8-21/h7-10,25-27,30,32H,1-6,11-20,24H2,(H,28,31)",NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)c1ccc(O)cc1,C23H44N6O3,,452.347489268,ICSMWVXZVJFMRP,Alkaloids,Ornithine alkaloids,Polyamines,Agelenopsis aperta,725349.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Araneae'],['Agelenidae'],['Unknown'],['Agelenopsis'],['Agelenopsis aperta'],1,0,2.594811201095581 3992,10289,275,Terpenoids,Diterpenoids,Spirostane steroids,0.504126,ISDB,GXCQICDRLAVBPY-BDHNHABWSA-N,"InChI=1S/C27H36O5/c1-24(23(29)30)10-7-11-25(2)21(24)20(32-22(28)17-8-5-4-6-9-17)15-18-14-19-16-27(18,25)13-12-26(19,3)31/h4-6,8-9,18-21,31H,7,10-16H2,1-3H3,(H,29,30)/t18-,19-,20-,21+,24-,25+,26-,27+/m1/s1",C[C@@]1(C(=O)O)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H]3C[C@@]12CC[C@@]3(C)O,C27H36O5,,440.256274252,GXCQICDRLAVBPY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],3,2,6.0165040493011475 3993,10287,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.47792906,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.4117162227630615 3994,10286,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.52344745,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.59378981590271 3995,10286,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.52344745,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.59378981590271 3996,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,VGVAABHRCNAZRM-WNWTZUNUSA-N,"InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,12,20,22-24H,1,8-9,11,13-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1sodium,470.339609952,VGVAABHRCNAZRM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies koreana,876314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies koreana'],6,3,7.5 3997,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,MVAVKBNRFPVKBI-JGJYTGRCSA-N,"InChI=1S/C30H46O4/c1-18-16-20(34-25(18)32)17-19(2)30(33)15-14-28(6)22-8-9-23-26(3,4)24(31)11-12-27(23,5)21(22)10-13-29(28,30)7/h18-20,23,33H,8-17H2,1-7H3/t18-,19-,20+,23+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@@H](C[C@@H](C)[C@@]2(O)CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H46O4,pos_1_1sodium,470.33960995199993,MVAVKBNRFPVKBI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,7.5 3998,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,RGXBCSRGWBMBCF-YPPHMNHGSA-N,"InChI=1S/C30H46O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19-21,23,25,31-32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,20+,21-,23+,25-,28+,29-,30+/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,C30H46O4,pos_1_1sodium,470.339609952,RGXBCSRGWBMBCF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,7.5 3999,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,ZDQKZDFYRZDVIL-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)",C=C(C)C1CC=C2C(CCC3(C)C(C(C)CC4CC(C)C(=O)O4)CCC23C)C1(C)CCC(=O)O,C30H46O4,pos_1_1sodium,470.339609952,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 4000,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1sodium,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,7.5 4001,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1sodium,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,7.5 4002,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,ZDQKZDFYRZDVIL-UHFFFAOYSA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)",C=C(C)C1CC=C2C(CCC3(C)C(C(C)CC4CC(C)C(=O)O4)CCC23C)C1(C)CCC(=O)O,C30H46O4,pos_1_1sodium,470.339609952,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 4003,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1sodium,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,7.5 4004,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,ZDQKZDFYRZDVIL-XLPYTDSASA-N,"InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H46O4,pos_1_1sodium,470.33960995199993,ZDQKZDFYRZDVIL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,7.5 4005,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,UPHZQTDFAGIZQK-DHSGVFBSSA-N,"InChI=1S/C30H46O4/c1-18(26(33)34)16-20(31)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(32)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16,19-20,22,24-25,31-32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,20+,22-,24+,25-,28-,29+,30-/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O,C30H46O4,pos_1_1sodium,470.339609952,UPHZQTDFAGIZQK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,7.5 4006,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,LPNSAXKZEFPRKW-CJALRUASSA-N,"InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,20-22,24,31H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,20-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H46O4,pos_1_1sodium,470.33960995199993,LPNSAXKZEFPRKW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 4007,10285,607,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,MKPNQZDUYFWCKB-UAFBEPASSA-N,"InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h17-18,20-21,24,31H,8-16H2,1-7H3,(H,33,34)/b19-17+/t18-,20+,21-,24+,28-,29-,30+/m1/s1",C/C(=C\[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O,C30H46O4,pos_1_1sodium,470.33960995199993,MKPNQZDUYFWCKB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,7.5 4008,10283,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6555096,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6220383644104004 4009,10281,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55123574,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.70494294166565 4010,10281,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55123574,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.70494294166565 4011,10281,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55123574,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus heldreichii,830812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus heldreichii'],6,3,9.70494294166565 4012,10281,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55123574,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.70494294166565 4013,10281,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55123574,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.70494294166565 4014,10281,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55123574,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.70494294166565 4015,10281,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55123574,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.70494294166565 4016,10281,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55123574,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.70494294166565 4017,10280,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5408124,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.663249492645264 4018,10280,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5408124,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.663249492645264 4019,10278,-1,,,,0.83770376,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.350815057754517 4020,10276,2042,Alkaloids,Tryptophan alkaloids,Aspidosperma type,0.26976913,ISDB,DCDARNHBHIXVJO-UEQSERJNSA-N,"InChI=1S/C24H28N2O6/c1-30-15-5-6-18-16(13-15)22-10-12-25-11-4-7-21(24(22,25)29)8-9-23(22,26(18)20(28)32-3)17(14-21)19(27)31-2/h5-6,13-14,29H,4,7-12H2,1-3H3/t21-,22+,23-,24-/m1/s1",COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6cc(OC)ccc6N(C(=O)OC)[C@]15CC2)[C@@]43O,C24H28N2O6,,440.194736616,DCDARNHBHIXVJO,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia dasyrachis,6068071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia dasyrachis'],3,3,5.579076528549194 4021,10275,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.32508403,ISDB,XGAZCNFAMDADDW-GQEPCWNGSA-N,"InChI=1S/C38H56O11/c1-19-23(40)16-25(48-20(2)39)32(47-19)49-26-17-35(7)27-12-11-21-22(15-24(41)31(44)34(21,5)6)37(27,9)29(43)18-36(35,8)30(26)38(10,46)28(42)13-14-33(3,4)45/h11,13-14,19,22,24-27,30-32,41,44-46H,12,15-18H2,1-10H3/b14-13+/t19-,22+,24-,25-,26+,27-,30-,31+,32-,35-,36+,37-,38-/m0/s1",CC(=O)O[C@H]1CC(=O)[C@H](C)O[C@H]1O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)/C=C/C(C)(C)O,C38H56O11,,688.382262612,XGAZCNFAMDADDW,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Datisca glomerata,784108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Datiscaceae'],['Unknown'],['Datisca'],['Datisca glomerata'],4,2,6.300336122512817 4022,10274,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.29477388,ISDB,DSTOROHYHNDBMG-SZCSQRRTSA-N,"InChI=1S/C34H52O8/c1-19(25(41-20(2)35)16-28(30(6,7)38)42-21(3)36)22-14-15-31(8)26-12-10-23-24(11-13-27(37)29(23,4)5)32(26,9)34(39)17-33(22,31)18-40-34/h10,19,22,24-26,28,38-39H,11-18H2,1-9H3/t19-,22+,24+,25+,26-,28+,31-,32-,33-,34-/m0/s1",CC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)[C@]3(O)C[C@]12CO3,C34H52O8,,588.3662186239999,DSTOROHYHNDBMG,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Leucopaxillus gentianeus,963203.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Tricholomataceae'],['Unknown'],['Leucopaxillus'],['Leucopaxillus gentianeus'],1,2,3.179095506668091 4023,10274,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.29477388,ISDB,DSTOROHYHNDBMG-UHFFFAOYSA-N,"InChI=1S/C34H52O8/c1-19(25(41-20(2)35)16-28(30(6,7)38)42-21(3)36)22-14-15-31(8)26-12-10-23-24(11-13-27(37)29(23,4)5)32(26,9)34(39)17-33(22,31)18-40-34/h10,19,22,24-26,28,38-39H,11-18H2,1-9H3",CC(=O)OC(CC(OC(C)=O)C(C)(C)O)C(C)C1CCC2(C)C3CC=C4C(CCC(=O)C4(C)C)C3(C)C3(O)CC12CO3,C34H52O8,,588.366218624,DSTOROHYHNDBMG,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Lepista amara,207782.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Tricholomataceae'],['Unknown'],['Lepista'],['Lepista amara'],1,2,3.179095506668091 4024,10273,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.27933392,ISDB,JHUWVMXELQZRFA-MMWJASJTSA-N,"InChI=1S/C34H50O7/c1-19(2)14-24-15-23(18-39-24)25-10-11-27-32(25,7)13-12-28-33(8,30(17-31(37)38)41-22(6)36)26(20(3)4)16-29(34(27,28)9)40-21(5)35/h11,14,23-26,28-30H,3,10,12-13,15-18H2,1-2,4-9H3,(H,37,38)/t23-,24-,25+,26+,28-,29-,30+,32+,33-,34+/m1/s1",C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@H]4CO[C@H](C=C(C)C)C4)[C@]3(C)CC[C@@H]2[C@]1(C)[C@H](CC(=O)O)OC(C)=O,C34H50O7,,570.35565394,JHUWVMXELQZRFA,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aglaia argentea,627552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia argentea'],4,2,6.117335677146912 4025,10272,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.32079205,ISDB,BOSPWDGVNSGRFD-KLZLLWCWSA-N,"InChI=1S/C32H46O5/c1-17(2)18(3)27(35)28(36)20(5)26-24(37-21(6)33)15-30(8)25-10-9-22-19(4)23(34)11-12-31(22)16-32(25,31)14-13-29(26,30)7/h11-12,17,19-20,22,24-26,28,36H,3,9-10,13-16H2,1-2,4-8H3/t19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1",C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C,C32H46O5,,510.334524572,BOSPWDGVNSGRFD,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],4,2,6.283168196678162 4026,10271,-1,,,,0.30549857,ISDB,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,9.221994280815125 4027,10270,888,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.24312317,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,9.472492694854736 4028,10268,3339,Terpenoids,Triterpenoids,Cholestane steroids,0.34425116,ISDB,ZTJFINKUHDHOSM-KEJCWXRGSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1",C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC,C29H46O,,410.3548660919999,ZTJFINKUHDHOSM,Terpenoids,Steroids,Cholestane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,10.877004623413086 4029,10264,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.43760687,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.250427484512329 4030,10261,2500,,,,0.5486956,ISDB,,,,,,,RNDRJLZEYYAQJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1947824954986572 4031,10260,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5258763,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.60350513458252 4032,10259,-1,,,,0.0,MS1_match,MXQDZWQIRGRELN-ZKUDOKLMSA-N,"InChI=1S/C36H58O9/c1-18-11-14-36(30(41)42)16-15-33(6)20(27(36)35(18,8)43)9-10-23-32(5)17-21(37)28(31(3,4)22(32)12-13-34(23,33)7)45-29-26(40)25(39)24(38)19(2)44-29/h9,18-19,21-29,37-40,43H,10-17H2,1-8H3,(H,41,42)/t18-,19-,21-,22+,23-,24+,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H58O9,pos_1_1sodium,634.408083436,MXQDZWQIRGRELN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 4033,10259,-1,,,,0.0,MS1_match,MXQDZWQIRGRELN-ZKUDOKLMSA-N,"InChI=1S/C36H58O9/c1-18-11-14-36(30(41)42)16-15-33(6)20(27(36)35(18,8)43)9-10-23-32(5)17-21(37)28(31(3,4)22(32)12-13-34(23,33)7)45-29-26(40)25(39)24(38)19(2)44-29/h9,18-19,21-29,37-40,43H,10-17H2,1-8H3,(H,41,42)/t18-,19-,21-,22+,23-,24+,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H58O9,pos_1_1sodium,634.408083436,MXQDZWQIRGRELN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 4034,10259,-1,,,,0.0,MS1_match,RRIMLWHUVCZACL-HPUCWRFUSA-N,"InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H58O9,pos_1_1sodium,634.4080834360001,RRIMLWHUVCZACL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 4035,10258,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51827145,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.57308578491211 4036,10256,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4686207,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,2,9.87448275089264 4037,10255,-1,,,,0.6242784,ISDB,KIFXGGYCNMHCSX-UHFFFAOYSA-N,"InChI=1S/C11H16/c1-2-3-8-11-9-6-4-5-7-10-11/h3-4,6-8,10-11H,2,5,9H2,1H3",CCC=CC1C=CCC=CC1,C11H16,,148.125200512,KIFXGGYCNMHCSX,,,,Pteris preussii,6005217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Pteridaceae'],['Unknown'],['Pteris'],['Pteris preussii'],3,0,5.4971137046813965 4038,10251,-1,,,,0.0,MS1_match,QUEDXNHFTDJVIY-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,pos_1_1sodium,416.3654307759999,QUEDXNHFTDJVIY,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4039,10251,-1,,,,0.0,MS1_match,WGVKWNUPNGFDFJ-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,pos_1_1sodium,416.3654307759999,WGVKWNUPNGFDFJ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4040,10251,-1,,,,0.0,MS1_match,QUEDXNHFTDJVIY-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,pos_1_1sodium,416.3654307759999,QUEDXNHFTDJVIY,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4041,10251,-1,,,,0.0,MS1_match,WGVKWNUPNGFDFJ-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2,C28H48O2,pos_1_1sodium,416.3654307759999,WGVKWNUPNGFDFJ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 4042,10249,-1,,,,0.8167658,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.267063140869141 4043,10247,-1,,,,0.20510839,ISDB,AQLRNQCFQNNMJA-YCEBJHGKSA-N,"InChI=1S/C42H58O7/c1-29(17-13-19-31(3)36(46)27-42-39(7,8)23-34(45)24-41(42,10)49-42)15-11-12-16-30(2)18-14-20-33(28-43)21-22-37-38(5,6)25-35(48-32(4)44)26-40(37,9)47/h11-21,34-35,43,45,47H,23-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,33-20-/t22?,34-,35-,40+,41+,42-/m0/s1",CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)CO)[C@](C)(O)C1,C42H58O7,,674.4182541959999,AQLRNQCFQNNMJA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Mytilus edulis,499751.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Mytilida'],['Mytilidae'],['Unknown'],['Mytilus'],['Mytilus edulis'],1,0,1.8204335570335388 4044,10244,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.54900414,ISDB,VWKXWHFAFDZMEM-VFODXRIRSA-N,"InChI=1S/C32H48O6/c1-17-15-19-24(27(5,6)36-18(2)33)38-32(37-19)23(17)28(7)13-14-31-16-30(31)12-11-22(34)26(3,4)20(30)9-10-21(31)29(28,8)25(32)35/h10,17,19-20,22-25,34-35H,9,11-16H2,1-8H3/t17-,19-,20+,22+,23-,24+,25-,28-,29-,30-,31+,32-/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O,C32H48O6,,528.345089256,VWKXWHFAFDZMEM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],4,2,7.196016550064087 4045,10243,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MDNLHPALNLCQKL-OAACRXHESA-N,"InChI=1S/C14H22O2/c1-12(2)7-10-9(12)5-6-13(3)8-14(10,4)16-11(13)15/h9-10H,5-8H2,1-4H3/t9-,10+,13+,14+/m1/s1",CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C[C@]2(C)OC1=O,C14H22O2,pos_2MH,222.161979944,MDNLHPALNLCQKL,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,1,7.5 4046,10242,-1,,,,0.5671286,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,0,6.268514394760132 4047,10240,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54337674,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.67350697517395 4048,10240,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54337674,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.67350697517395 4049,10240,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54337674,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.67350697517395 4050,10240,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54337674,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.67350697517395 4051,10240,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54337674,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.67350697517395 4052,10236,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6616041,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.646416425704956 4053,10235,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.28031576,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.621263027191162 4054,10234,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.84113073,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.864522933959961 4055,10233,-1,,,,0.0,MS1_match,KEMQGTRYUADPNZ-UHFFFAOYSA-N,"InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",CCCCCCCCCCCCCCCCC(=O)O,C17H34O2,pos_2_1magnesium,270.255880328,KEMQGTRYUADPNZ,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 4056,10233,-1,,,,0.0,MS1_match,FXUKWLSZZHVEJD-UHFFFAOYSA-N,"InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",CCC(C)CCCCCCCCCCCCC(=O)O,C17H34O2,pos_2_1magnesium,270.255880328,FXUKWLSZZHVEJD,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 4057,10231,758,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45361644,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,3,10.314465761184692 4058,10230,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5413284,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.665313482284546 4059,10230,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5413284,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.665313482284546 4060,10229,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5100547,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.540218830108643 4061,10228,1824,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.22074316,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.3829726576805115 4062,10226,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.57700855,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium macleanii,942183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium macleanii'],4,1,6.808034181594849 4063,10226,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.57700855,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium karataviense,942185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium karataviense'],4,1,6.808034181594849 4064,10226,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.57700855,ISDB,OXOVSGJNEMPAFQ-DVYJWOBTSA-N,"InChI=1S/C40H58O12/c1-20-10-13-40(48-19-20)21(2)31-26(52-40)15-25-23-14-30(42)39(47)17-28(49-35(46)22-8-6-5-7-9-22)27(16-38(39,4)24(23)11-12-37(25,31)3)50-36-34(45)33(44)32(43)29(18-41)51-36/h5-9,20-21,23-34,36,41-45,47H,10-19H2,1-4H3/t20-,21+,23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,36-,37+,38-,39+,40-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](OC(=O)c6ccccc6)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C40H58O12,,730.392827296,OXOVSGJNEMPAFQ,Terpenoids,Steroids,Furostane steroids,Allium giganteum,416484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium giganteum'],4,1,6.808034181594849 4065,10225,-1,,,,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 4066,10224,-1,,,,0.51211363,ISDB,ZCTOERUZBNJVMR-YGXNAWAMSA-N,"InChI=1S/C32H52O5/c1-18-24-20-16-21(34)25-29(6)17-22(35)26(37-19(2)33)27(3,4)23(29)10-11-31(25,8)30(20,7)14-12-28(24,5)13-15-32(18,9)36/h16,18,21-26,34-36H,10-15,17H2,1-9H3/t18-,21-,22-,23-,24+,25+,26+,28+,29+,30-,31-,32+/m1/s1",CC(=O)O[C@H]1[C@H](O)C[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2[C@H](O)C=C2[C@@H]4[C@@H](C)[C@@](C)(O)CC[C@]4(C)CC[C@]23C)C1(C)C,C32H52O5,,516.381474764,ZCTOERUZBNJVMR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Salvia argentea,448585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia argentea'],4,0,6.048454523086548 4067,10223,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6828541,ISDB,OXKJXQWUKRTLGT-QGZVFWFLSA-N,"InChI=1S/C19H26O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h6,10-12,17,20H,5,7-9H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2,C19H26O,,270.198365452,OXKJXQWUKRTLGT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,2,6.731416463851929 4068,10221,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5009166,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.503666400909424 4069,10220,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.80415964,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.716638565063477 4070,10218,275,Terpenoids,Diterpenoids,Spirostane steroids,0.45824113,ISDB,PJNWRUYLFKBOLU-PITALYOGSA-N,"InChI=1S/C27H36O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h9,14-15,17-19,22,24H,5-8,10-13H2,1-4H3/t14-,15+,17+,18+,19+,22+,24+,25-,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C27H36O5,,440.256274252,PJNWRUYLFKBOLU,Terpenoids,Steroids,Spirostane steroids,Tribulus terrestris,790024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zygophyllales'],['Zygophyllaceae'],['Unknown'],['Tribulus'],['Tribulus terrestris'],3,3,6.332964539527893 4071,10216,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.60781515,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.931260585784912 4072,10215,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KIJYSICAJWQCER-LKZNCAPQSA-N,"InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22+,23-,24+,25-,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,pos_2MNa,514.3658246999998,KIJYSICAJWQCER,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis racemosa,3904038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis racemosa'],6,3,7.5 4073,10214,-1,,,,0.0,MS1_match,KIJYSICAJWQCER-LKZNCAPQSA-N,"InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22+,23-,24+,25-,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,pos_2MHNH3,514.3658246999998,KIJYSICAJWQCER,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis racemosa,3904038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis racemosa'],6,0,6.0 4074,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus rosa,3905852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosa'],6,0,6.0 4075,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus rosaefolius,714548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosifolius'],6,0,6.0 4076,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus allegheniensis,148072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus allegheniensis'],6,0,6.0 4077,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus rosifolius,714548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosifolius'],6,0,6.0 4078,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-VFBRRWPOSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 4079,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-VFBRRWPOSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 4080,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-VFBRRWPOSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,0,6.0 4081,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 4082,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 4083,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus rosaefolius,714548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosifolius'],6,0,6.0 4084,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus allegheniensis,148072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus allegheniensis'],6,0,6.0 4085,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus rosifolius,714548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosifolius'],6,0,6.0 4086,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-VFBRRWPOSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 4087,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-VFBRRWPOSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 4088,10214,-1,,,,0.0,MS1_match,PQQIABJSQBQEFM-USOYLUNWSA-N,"InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20-,21+,22+,23+,24-,27-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658247,PQQIABJSQBQEFM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 4089,10214,-1,,,,0.0,MS1_match,PQQIABJSQBQEFM-USOYLUNWSA-N,"InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20-,21+,22+,23+,24-,27-,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658247,PQQIABJSQBQEFM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 4090,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-BPKREVGBSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus rosa,3905852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosa'],6,0,6.0 4091,10214,-1,,,,0.0,MS1_match,RQWXHGLRDYGNGZ-VFBRRWPOSA-N,"InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O5,pos_2MHCH3CN,502.3658246999999,RQWXHGLRDYGNGZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis australis,664137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis australis'],6,0,6.0 4092,10212,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KIJYSICAJWQCER-LKZNCAPQSA-N,"InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22+,23-,24+,25-,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,pos_1_1sodium1acetonitrile,514.3658246999998,KIJYSICAJWQCER,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis racemosa,3904038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis racemosa'],6,3,7.5 4093,10211,-1,,,,0.0,MS1_match,KIJYSICAJWQCER-LKZNCAPQSA-N,"InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22+,23-,24+,25-,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,pos_1_1sodium,514.3658246999998,KIJYSICAJWQCER,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis racemosa,3904038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis racemosa'],6,0,6.0 4094,10210,369,Polyketides,Meroterpenoids,Cannabinoids,0.6208107,ISDB,YZGCYNMNFASAOK-UHFFFAOYSA-N,"InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)19-16-11-14(2)9-10-17(16)21(3,4)26-22(19,13-15)20(24)25/h9-12,16-17,23H,5-8,13H2,1-4H3,(H,24,25)",CCCCCC1=CC(O)=C2C3C=C(C)C=CC3C(C)(C)OC2(C(=O)O)C1,C22H30O4,,358.21440944,YZGCYNMNFASAOK,Polyketides,Meroterpenoids,Cannabinoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,8.983242750167847 4095,10207,57,Terpenoids,Steroids,Cardenolides,0.5636525,ISDB,BTPXTFRSIGTXMO-NTJZZXPDSA-N,"InChI=1S/C43H66O18/c1-16-13-56-43(37(53)29(16)47)17(2)28-26(61-43)12-23-21-7-6-19-10-20(44)11-27(42(19,5)22(21)8-9-41(23,28)4)58-40-36(60-39-34(52)32(50)30(48)18(3)57-39)35(25(46)15-55-40)59-38-33(51)31(49)24(45)14-54-38/h6,17-18,20-40,44-53H,1,7-15H2,2-5H3/t17-,18-,20+,21+,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41-,42-,43-/m0/s1",C=C1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@H]1O,C43H66O18,,870.424915272,BTPXTFRSIGTXMO,Terpenoids,Steroids,Spirostane steroids,Sansevieria trifasciata,497827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Sansevieria'],['Sansevieria trifasciata'],4,2,7.254610061645508 4096,10207,57,Terpenoids,Steroids,Cardenolides,0.5636525,ISDB,BTPXTFRSIGTXMO-NTJZZXPDSA-N,"InChI=1S/C43H66O18/c1-16-13-56-43(37(53)29(16)47)17(2)28-26(61-43)12-23-21-7-6-19-10-20(44)11-27(42(19,5)22(21)8-9-41(23,28)4)58-40-36(60-39-34(52)32(50)30(48)18(3)57-39)35(25(46)15-55-40)59-38-33(51)31(49)24(45)14-54-38/h6,17-18,20-40,44-53H,1,7-15H2,2-5H3/t17-,18-,20+,21+,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41-,42-,43-/m0/s1",C=C1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@H]1O,C43H66O18,,870.424915272,BTPXTFRSIGTXMO,Terpenoids,Steroids,Spirostane steroids,Beaucarnea recurvata,447303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Beaucarnea'],['Beaucarnea recurvata'],4,2,7.254610061645508 4097,10205,1362,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4098,10205,1362,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4099,10204,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.29278627,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,6.671145081520081 4100,10204,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.29278627,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,6.671145081520081 4101,10204,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.29278627,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,3,6.671145081520081 4102,10203,369,Polyketides,Meroterpenoids,Cannabinoids,0.6318677,ISDB,YZGCYNMNFASAOK-UHFFFAOYSA-N,"InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)19-16-11-14(2)9-10-17(16)21(3,4)26-22(19,13-15)20(24)25/h9-12,16-17,23H,5-8,13H2,1-4H3,(H,24,25)",CCCCCC1=CC(O)=C2C3C=C(C)C=CC3C(C)(C)OC2(C(=O)O)C1,C22H30O4,,358.21440944,YZGCYNMNFASAOK,Polyketides,Meroterpenoids,Cannabinoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,9.027470827102661 4103,10202,34,Fatty acids,Fatty esters,Fatty acyl carnitines,0.30514592,ISDB,MPSPNFAQQQMFLK-UHFFFAOYSA-N,"InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3",CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C16H31NO4,,301.225308472,MPSPNFAQQQMFLK,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,3,3.72058367729187 4104,10201,-1,,,,0.51268613,ISDB,ZRVDANDJSTYELM-FXAWDEMLSA-N,"InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1",CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,ZRVDANDJSTYELM,Terpenoids,Diterpenoids,Totarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,9.050744533538818 4105,10199,255,Terpenoids,Triterpenoids,Ergostane steroids,0.40071917,ISDB,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],3,3,6.102876663208008 4106,10198,654,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.20624548,ISDB,NZWFFDGHEUMZNF-UHFFFAOYSA-N,"InChI=1S/C29H28O4/c1-32-27-7-3-5-23(19-27)10-11-24-14-17-28(31)29(20-24)33-26-15-12-21(13-16-26)8-9-22-4-2-6-25(30)18-22/h2-7,12-20,30-31H,8-11H2,1H3",COc1cccc(CCc2ccc(O)c(Oc3ccc(CCc4cccc(O)c4)cc3)c2)c1,C29H28O4,,440.198759376,NZWFFDGHEUMZNF,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pellia endiviifolia,431620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Pelliales'],['Pelliaceae'],['Unknown'],['Apopellia'],['Apopellia endiviifolia'],3,3,5.324981927871704 4107,10197,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55215853,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.7086341381073 4108,10197,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55215853,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.7086341381073 4109,10194,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4610963,ISDB,TYLGSFWEJKPDQE-VBLNRODASA-N,"InChI=1S/C33H50O5/c1-19(2)10-9-11-20(28(35)37-8)26-27-23(38-29(26)36)18-33(7)22-12-13-24-30(3,4)25(34)15-16-31(24,5)21(22)14-17-32(27,33)6/h10,12,20-21,23-24,26-27,29,36H,9,11,13-18H2,1-8H3/t20-,21?,23+,24+,26+,27+,29+,31-,32+,33-/m1/s1",COC(=O)[C@H](CCC=C(C)C)[C@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4CC[C@@]23C)O[C@@H]1O,C33H50O5,,526.3658247,TYLGSFWEJKPDQE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Melia volkensii,991935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia volkensii'],4,3,7.344385147094727 4110,10192,2971,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.4029945,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,6.111978054046631 4111,10191,507,Polyketides,Cyclic polyketides,Furans,0.3853456,ISDB,HWYJSJWNOAJXLT-UHFFFAOYSA-N,"InChI=1S/C13H14O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,4,8-9H2",c1ccc(CCCc2ccco2)cc1,C13H14O,,186.104465068,HWYJSJWNOAJXLT,Polyketides,Cyclic polyketides,Furans,Ruta graveolens,596623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ruta'],['Ruta graveolens'],3,3,6.041382431983948 4112,10190,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YYZGCFAOJNBCNR-NDWLBAEDSA-N,"InChI=1S/C35H56O8/c1-21(36)42-23-19-25-32(6)16-13-26(43-28(39)20-27(37)38)31(4,5)24(32)12-18-33(25,7)34(8)17-11-22(29(23)34)35(9,41)15-10-14-30(2,3)40/h10,14,22-26,29,40-41H,11-13,15-20H2,1-9H3,(H,37,38)/b14-10+/t22-,23+,24-,25+,26+,29-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O8,pos_1_1sodium,604.397518752,YYZGCFAOJNBCNR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4113,10190,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ZJQWQSQAAISKMX-GZKZZVJFSA-N,"InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O8,pos_1_1sodium,604.397518752,ZJQWQSQAAISKMX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4114,10190,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OPZZIOQITZJLAK-SAJAARKZSA-N,"InChI=1S/C35H56O8/c1-20(2)23(37)11-17-35(9,41)22-10-15-34(8)30(22)24(42-21(3)36)18-26-32(6)14-13-27(43-29(40)19-28(38)39)31(4,5)25(32)12-16-33(26,34)7/h22-27,30,37,41H,1,10-19H2,2-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O8,pos_1_1sodium,604.397518752,OPZZIOQITZJLAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4115,10190,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RLVAVWQAAQFUOP-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C35H56O8,pos_1_1sodium,604.397518752,RLVAVWQAAQFUOP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4116,10189,437,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.3134706,ISDB,YGBIXFIIAJCOLF-NRDJKUSPSA-N,"InChI=1S/C35H54O7/c1-20-13-16-35(29(38)40-10)18-17-32(7)23(27(35)34(20,9)39)11-12-26-31(6)19-24(41-21(2)36)28(42-22(3)37)30(4,5)25(31)14-15-33(26,32)8/h11,20,24-28,39H,12-19H2,1-10H3/t20-,24-,25+,26-,27-,28-,31+,32-,33-,34-,35+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C35H54O7,,586.386954068,YGBIXFIIAJCOLF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Hedyotis lawsoniae,85711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Hedyotis'],['Hedyotis lawsoniae'],4,2,6.25388240814209 4117,10188,1096,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton1methanol,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,8.0 4118,10188,1096,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton1methanol,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,8.0 4119,10187,1669,Terpenoids,Apocarotenoids,Megastigmanes,0.37319034,ISDB,,,,,,,OTQWGNRJCSNJLH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4927613735198975 4120,10185,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.22824456,ISDB,MPVDCZKYHJVWAC-LAETZAJFSA-N,"InChI=1S/C37H64O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(38)41-29-26-30(2)22-24-32-31(3)23-25-33-36(32,4)27-20-28-37(33,5)35(39)40-6/h26,32-33H,3,7-25,27-29H2,1-2,4-6H3/b30-26+/t32-,33+,36+,37-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCC,C37H64O4,,572.480460528,MPVDCZKYHJVWAC,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis var. communis,869358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],3,3,5.412978231906891 4121,10185,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.22824456,ISDB,MPVDCZKYHJVWAC-LAETZAJFSA-N,"InChI=1S/C37H64O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(38)41-29-26-30(2)22-24-32-31(3)23-25-33-36(32,4)27-20-28-37(33,5)35(39)40-6/h26,32-33H,3,7-25,27-29H2,1-2,4-6H3/b30-26+/t32-,33+,36+,37-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCC,C37H64O4,,572.480460528,MPVDCZKYHJVWAC,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],3,3,5.412978231906891 4122,10184,-1,,,,0.64401704,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,0,6.576068162918091 4123,10184,-1,,,,0.64401704,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,0,6.576068162918091 4124,10183,1,Terpenoids,Steroids,Monoalkylresorcinols,0.24776137,ISDB,RFXJKCXWJAFPEB-UHFFFAOYSA-N,"InChI=1S/C21H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(17-19)26-27(23,24)25/h16-18,22H,2-15H2,1H3,(H,23,24,25)",CCCCCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1,C21H36O5S,,400.228345252,RFXJKCXWJAFPEB,Polyketides,Alkylresorcinols,Monoalkylresorcinols,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.4910454750061035 4125,10176,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,pos_1_1proton,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,8.5 4126,10174,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4127,10174,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4128,10174,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4129,10174,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 4130,10174,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2MCa,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4131,10174,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2MCa,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4132,10174,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4133,10171,-1,,,,0.5775282,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.310112714767456 4134,10170,-1,,,,0.41739076,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,7.669563055038452 4135,10168,-1,,,,0.0,MS1_match,PVEQEACTAZYHGN-XWEYLWSRSA-N,"InChI=1S/C39H54O4/c1-27(16-12-17-29(3)20-21-35-37(5,6)23-22-36(41)39(35,9)42)14-10-11-15-28(2)18-13-19-30(4)33-25-32-34(43-33)24-31(40)26-38(32,7)8/h10-20,25,31,33-34,36,40-42H,22-24,26H2,1-9H3/b11-10+,16-12+,18-13+,27-14+,28-15+,29-17+,30-19+/t21?,31-,33-,34-,36+,39+/m1/s1",C/C(C=C=C1C(C)(C)CC[C@H](O)[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2[C@@H](C[C@@H](O)CC2(C)C)O1,C39H54O4,pos_1_minus1proton1iron,586.402210208,PVEQEACTAZYHGN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,0,6.0 4136,10168,-1,,,,0.0,MS1_match,PVEQEACTAZYHGN-XWEYLWSRSA-N,"InChI=1S/C39H54O4/c1-27(16-12-17-29(3)20-21-35-37(5,6)23-22-36(41)39(35,9)42)14-10-11-15-28(2)18-13-19-30(4)33-25-32-34(43-33)24-31(40)26-38(32,7)8/h10-20,25,31,33-34,36,40-42H,22-24,26H2,1-9H3/b11-10+,16-12+,18-13+,27-14+,28-15+,29-17+,30-19+/t21?,31-,33-,34-,36+,39+/m1/s1",C/C(C=C=C1C(C)(C)CC[C@H](O)[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2[C@@H](C[C@@H](O)CC2(C)C)O1,C39H54O4,pos_1_minus1proton1iron,586.402210208,PVEQEACTAZYHGN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,0,6.0 4137,10167,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4138,10165,983,Polyketides,Phloroglucinols,Purine alkaloids,0.0,MS1_match,ZHVWMZSTIUJLTP-UHFFFAOYSA-N,"InChI=1S/C10H13N5/c1-6(2)3-4-7-14-9(11)8-10(15-7)13-5-12-8/h3-6H,1-2H3,(H3,11,12,13,14,15)",CC(C)C=Cc1nc(N)c2ncnc-2[nH]1,C10H13N5,pos_2MK,203.117095416,ZHVWMZSTIUJLTP,Alkaloids,Pseudoalkaloids,Purine alkaloids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,7.5 4139,10164,432,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.72543985,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.401759386062622 4140,10164,432,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.72543985,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.401759386062622 4141,10163,988,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6003518,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.901407241821289 4142,10158,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50990665,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.539626598358154 4143,10157,983,Polyketides,Phloroglucinols,Purine alkaloids,0.32173654,ISDB,GEWBQPFQVFANET-UHFFFAOYSA-N,"InChI=1S/C24H28O8/c1-10(2)7-8-14-20(28)15(22(30)18(13(5)26)21(14)29)9-16-23(31)17(12(4)25)19(27)11(3)24(16)32-6/h7,27-31H,8-9H2,1-6H3",COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O,C24H28O8,,444.1784178559999,GEWBQPFQVFANET,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],3,2,5.286946177482605 4144,10157,983,Polyketides,Phloroglucinols,Purine alkaloids,0.32173654,ISDB,GEWBQPFQVFANET-UHFFFAOYSA-N,"InChI=1S/C24H28O8/c1-10(2)7-8-14-20(28)15(22(30)18(13(5)26)21(14)29)9-16-23(31)17(12(4)25)19(27)11(3)24(16)32-6/h7,27-31H,8-9H2,1-6H3",COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O,C24H28O8,,444.1784178559999,GEWBQPFQVFANET,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],3,2,5.286946177482605 4145,10155,432,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7221947,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.3887786865234375 4146,10155,432,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7221947,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.3887786865234375 4147,10154,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54120404,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.66481614112854 4148,10154,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54120404,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.66481614112854 4149,10154,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54120404,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.66481614112854 4150,10153,988,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6002269,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.900907516479492 4151,10152,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.79353327,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.174133062362671 4152,10152,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.79353327,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.174133062362671 4153,10149,249,Terpenoids,Steroids,Cardenolides,0.5677767,ISDB,KGQOHECLTONQOT-HKFGFSCZSA-N,"InChI=1S/C28H34O3/c1-17-8-9-28(16-29)13-12-26(4)22-7-6-19-18(2)24(31)21(30)15-20(19)25(22,3)10-11-27(26,5)23(28)14-17/h6-7,15-16,23,31H,1,8-14H2,2-5H3/t23-,25-,26+,27-,28+/m0/s1",C=C1CC[C@]2(C=O)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C28H34O3,,418.250794948,KGQOHECLTONQOT,Terpenoids,Triterpenoids,,Salacia kraussii,981087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia kraussii'],3,1,5.771106719970703 4154,10148,185,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.4049544,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,6.119817614555359 4155,10147,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8411334,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.86453366279602 4156,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Aspidosperma polyneuron,326064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Aspidospermateae'],['Aspidosperma'],['Aspidosperma polyneuron'],3,1,6.458150386810303 4157,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-UHFFFAOYSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3",CCC12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia officinalis,7053209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia officinalis'],3,1,6.458150386810303 4158,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia arborea,82771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia arborea'],3,1,6.458150386810303 4159,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-IBGZPJMESA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m0/s1",CC[C@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia profunda,6068082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia profunda'],3,1,6.458150386810303 4160,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Rhazya stricta,618442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Amsonieae'],['Rhazya'],['Rhazya stricta'],3,1,6.458150386810303 4161,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Aspidosperma quebracho-blanco,619034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Aspidospermateae'],['Aspidosperma'],['Aspidosperma quebracho-blanco'],3,1,6.458150386810303 4162,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Tabernaemontana grandiflora,129616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana grandiflora'],3,1,6.458150386810303 4163,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Hunteria umbellata,516429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Hunterieae'],['Hunteria'],['Hunteria umbellata'],3,1,6.458150386810303 4164,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Vinca erecta,6068172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Vinca'],['Vinca erecta'],3,1,6.458150386810303 4165,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Gonioma kamassi,722336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Hunterieae'],['Gonioma'],['Gonioma kamassi'],3,1,6.458150386810303 4166,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Melodinus fusiformis,194019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Melodineae'],['Melodinus'],['Melodinus fusiformis'],3,1,6.458150386810303 4167,10146,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7395376,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Vinca minor,142101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Vinca'],['Vinca minor'],3,1,6.458150386810303 4168,10145,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1proton1ammonium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4169,10145,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1proton1ammonium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4170,10143,249,Terpenoids,Steroids,Cardenolides,0.5210693,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.584277153015137 4171,10142,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.46593195,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.363727807998657 4172,10142,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.46593195,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.363727807998657 4173,10141,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6076532,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.930612802505493 4174,10141,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6076532,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.930612802505493 4175,10141,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6076532,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.930612802505493 4176,10139,-1,,,,0.49034348,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,7.961373925209045 4177,10138,286,Terpenoids,Isoflavonoids,Flavonols,0.0,MS1_match,GNHURUAFLJVHLD-UHFFFAOYSA-N,"InChI=1S/C18H16O9/c1-24-8-5-4-7(12(19)13(8)20)17-18(26-3)16(23)11-9(27-17)6-10(25-2)14(21)15(11)22/h4-6,19-22H,1-3H3",COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC)c(O)c1O,C18H16O9,pos_1_1potassium,376.0794320919999,GNHURUAFLJVHLD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Apuleia leiocarpa,284164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Apuleia'],['Apuleia leiocarpa'],6,3,7.5 4178,10137,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8000884,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.700353622436523 4179,10136,-1,,,,0.4343636,ISDB,UMLDOSNQGZWGBQ-AHQCWXFASA-N,"InChI=1S/C30H42O4/c1-7-22(2)9-15-26-29(4)19-8-18-28(3,25(29)17-20-30(26,5)32)21-34-27(31)16-12-23-10-13-24(33-6)14-11-23/h7,10-14,16,25-26,32H,1-2,8-9,15,17-21H2,3-6H3/b16-12+/t25-,26+,28+,29-,30+/m0/s1",C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O,C30H42O4,,466.30830982399993,UMLDOSNQGZWGBQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,8.737454414367676 4180,10135,591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7605545,ISDB,CTGGVCKBMLNHNX-WLHXYQFRSA-N,"InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19-,28-,29+,30-/m0/s1",CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12,C30H40O3,,448.29774514,CTGGVCKBMLNHNX,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.54221796989441 4181,10133,888,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.20432481,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,8.817299246788025 4182,10132,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.25867027,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.534681081771851 4183,10131,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49784124,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.4913649559021 4184,10130,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6797444,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.218977689743042 4185,10130,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6797444,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.218977689743042 4186,10129,-1,,,,0.49565724,ISDB,MCVAPTMLHAVOLH-SBRXTPPKSA-N,"InChI=1S/C46H66O9/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35-41-46(5,54-42(35)50)55-43(53-41)39-33(31-47)30-36(48)40-44(2,3)29-28-37(45(39,40)4)52-38(49)27-24-32-22-25-34(51-6)26-23-32/h14-15,22-27,30-31,35-37,39-41,43,48H,7-13,16-21,28-29H2,1-6H3/b15-14-,27-24+/t35-,36-,37+,39-,40-,41+,43-,45+,46+/m0/s1",CCCCCCCC/C=C\CCCCCC[C@@H]1C(=O)O[C@]2(C)O[C@@H]([C@@H]3C(C=O)=C[C@H](O)[C@H]4C(C)(C)CC[C@@H](OC(=O)/C=C/c5ccc(OC)cc5)[C@]34C)O[C@H]12,C46H66O9,,762.470683692,MCVAPTMLHAVOLH,Terpenoids,Diterpenoids,,Zygogynum acsmithii,59236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Canellales'],['Winteraceae'],['Unknown'],['Zygogynum'],['Zygogynum acsmithii'],3,0,4.98262894153595 4187,10128,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.4671406,ISDB,SGSLKSWEAHEFTA-PKWIELLASA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)/t16-,17-,18+,21-,22-,23+,24-/m1/s1",C[C@@]12C=C[C@@]3(C1)[C@H](CC2)[C@]1(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@@H]3O,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Rhodanthe floribunda,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.368562340736389 4188,10128,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.4671406,ISDB,SGSLKSWEAHEFTA-UHFFFAOYSA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)",CC12C=CC3(C1)C(O)CC1C(C)(COC(=O)CCC(=O)O)CCCC1(C)C3CC2,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helipterum floribundum,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.368562340736389 4189,10127,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6751721,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.200688362121582 4190,10127,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6751721,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.200688362121582 4191,10120,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.78058517,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,7.622340679168701 4192,10119,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.6513713,ISDB,DDVIVMMKNAZNJE-FXBCZQQTSA-N,"InChI=1S/C30H36O3/c1-15(2)20-9-8-17(5)28-23(20)11-19(7)29-24(28)14-30(32)25-13-26(31)18(6)10-22(25)21(16(3)4)12-27(30)33-29/h8-11,13,15-16,21,27,31-32H,12,14H2,1-7H3/t21-,27+,30+/m0/s1",Cc1cc2c(cc1O)[C@]1(O)Cc3c(c(C)cc4c(C(C)C)ccc(C)c34)O[C@@H]1C[C@H]2C(C)C,C30H36O3,,444.266445012,DDVIVMMKNAZNJE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,2,6.605485200881958 4193,10118,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.50697565,ISDB,ISSPUSZYYOWQJE-PVUWTYBXSA-N,"InChI=1S/C29H36O2/c1-27(2)15-9-16-28(3)23(18-21-10-5-7-12-25(21)30-28)14-17-29(4)24(20-27)19-22-11-6-8-13-26(22)31-29/h5-13,15,23-24H,14,16-20H2,1-4H3/b15-9+/t23-,24+,28+,29+/m1/s1",CC1(C)/C=C/C[C@]2(C)Oc3ccccc3C[C@H]2CC[C@]2(C)Oc3ccccc3C[C@H]2C1,C29H36O2,,416.27153039199993,ISSPUSZYYOWQJE,Terpenoids,,,Uvaria lucida,250074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria lucida'],3,1,5.527902603149414 4194,10117,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.33411235,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],5,3,7.836449384689331 4195,10117,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.33411235,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],5,3,7.836449384689331 4196,10113,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.40732858,ISDB,AYDJDNNMKHXZOQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C(=O)O)C1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.129314303398132 4197,10110,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6204596,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,3,8.981838464736938 4198,10110,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6204596,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.981838464736938 4199,10110,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6204596,ISDB,GPFVBJYXFRIOFB-HNBVOPMISA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.981838464736938 4200,10105,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.7739088,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,7.595635175704956 4201,10104,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.64876944,ISDB,DDVIVMMKNAZNJE-FXBCZQQTSA-N,"InChI=1S/C30H36O3/c1-15(2)20-9-8-17(5)28-23(20)11-19(7)29-24(28)14-30(32)25-13-26(31)18(6)10-22(25)21(16(3)4)12-27(30)33-29/h8-11,13,15-16,21,27,31-32H,12,14H2,1-7H3/t21-,27+,30+/m0/s1",Cc1cc2c(cc1O)[C@]1(O)Cc3c(c(C)cc4c(C(C)C)ccc(C)c34)O[C@@H]1C[C@H]2C(C)C,C30H36O3,,444.266445012,DDVIVMMKNAZNJE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,2,6.595077753067017 4202,10103,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.52198195,ISDB,ISSPUSZYYOWQJE-PVUWTYBXSA-N,"InChI=1S/C29H36O2/c1-27(2)15-9-16-28(3)23(18-21-10-5-7-12-25(21)30-28)14-17-29(4)24(20-27)19-22-11-6-8-13-26(22)31-29/h5-13,15,23-24H,14,16-20H2,1-4H3/b15-9+/t23-,24+,28+,29+/m1/s1",CC1(C)/C=C/C[C@]2(C)Oc3ccccc3C[C@H]2CC[C@]2(C)Oc3ccccc3C[C@H]2C1,C29H36O2,,416.27153039199993,ISSPUSZYYOWQJE,Terpenoids,,,Uvaria lucida,250074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria lucida'],3,1,5.58792781829834 4203,10102,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.33884883,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],5,3,7.855395317077637 4204,10102,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.33884883,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],5,3,7.855395317077637 4205,10101,255,Terpenoids,Triterpenoids,Ergostane steroids,0.38977763,ISDB,BUOYQGLRFDDTLB-KBIKRTHESA-N,"InChI=1S/C29H46O4/c1-24(2)13-15-29(23(31)32)16-14-26(4)18(19(29)17-24)7-8-20-25(3)11-10-22(30)28(6,33)21(25)9-12-27(20,26)5/h7,19-22,30,33H,8-17H2,1-6H3,(H,31,32)/t19-,20?,21+,22-,25+,26+,27+,28-,29-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1,C29H46O4,,458.3396099519999,BUOYQGLRFDDTLB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Gypsophila oldhamiana,5143825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Gypsophila'],['Gypsophila oldhamiana'],3,2,5.559110522270203 4206,10100,-1,,,,0.72645247,ISDB,ILBLNWRALCTWGL-LYDSDTOKSA-N,"InChI=1S/C25H38O2/c1-3-4-5-6-7-8-9-10-11-18-19-14-15-20-21(25(26)27-2)13-12-17-16-22(18)24(19)23(17)20/h12-15,17-24H,3-11,16H2,1-2H3/t17-,18-,19-,20+,21-,22+,23-,24-/m1/s1",CCCCCCCCCC[C@@H]1[C@H]2C=C[C@@H]3[C@@H]4[C@H]2[C@H]1C[C@H]4C=C[C@H]3C(=O)OC,C25H38O2,,370.287180456,ILBLNWRALCTWGL,,,,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],4,0,6.9058098793029785 4207,10092,2928,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.31737596,ISDB,DQYLYINTYRNUAK-AKACLTSDSA-N,"InChI=1S/C30H46O4/c1-19(2)23-14-18-30(7)25(28(23,5)16-15-26(31)32)12-11-24-22(13-17-29(24,30)6)20(3)9-8-10-21(4)27(33)34/h10,22-25H,1,3,8-9,11-18H2,2,4-7H3,(H,31,32)(H,33,34)/b21-10+/t22-,23+,24-,25+,28+,29-,30-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C,C30H46O4,,470.339609952,DQYLYINTYRNUAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,8.769503831863403 4208,10085,1743,Terpenoids,Triterpenoids,Limonoids,0.5383849,ISDB,OIYMSAOAFKGCMV-QSAVFGIQSA-N,"InChI=1S/C28H40O3/c1-18(29)31-24-16-23-25(2,3)12-7-13-27(23,5)22-10-14-26(4)20(19-11-15-30-17-19)8-9-21(26)28(22,24)6/h7,11,13,15,17,20-24H,8-10,12,14,16H2,1-6H3/t20-,21-,22-,23+,24-,26-,27-,28+/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@@]21C,C28H40O3,,424.29774514,OIYMSAOAFKGCMV,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,3,6.653539657592773 4209,10085,1743,Terpenoids,Triterpenoids,Limonoids,0.5383849,ISDB,OIYMSAOAFKGCMV-QSAVFGIQSA-N,"InChI=1S/C28H40O3/c1-18(29)31-24-16-23-25(2,3)12-7-13-27(23,5)22-10-14-26(4)20(19-11-15-30-17-19)8-9-21(26)28(22,24)6/h7,11,13,15,17,20-24H,8-10,12,14,16H2,1-6H3/t20-,21-,22-,23+,24-,26-,27-,28+/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@@]21C,C28H40O3,,424.29774514,OIYMSAOAFKGCMV,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,3,6.653539657592773 4210,10084,-1,,,,0.7418821,ISDB,LZAGCGQZQCAYEZ-SPLNTBABSA-N,"InChI=1S/C29H46O3/c1-17-11-14-29(25(31)32)16-15-27(5)19-9-10-22-26(3,4)23(30)12-13-28(22,6)20(19)7-8-21(27)24(29)18(17)2/h8,17-20,22-24,30H,7,9-16H2,1-6H3,(H,31,32)/t17-,18+,19+,20-,22-,23-,24-,27+,28-,29-/m1/s1",C[C@H]1[C@H](C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@H]3C(C)(C)[C@H](O)CC[C@]43C)[C@@H]12,C29H46O3,,442.344695332,LZAGCGQZQCAYEZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],4,0,6.967528343200684 4211,10084,-1,,,,0.7418821,ISDB,LZAGCGQZQCAYEZ-GQOFUCROSA-N,"InChI=1S/C29H46O3/c1-17-11-14-29(25(31)32)16-15-27(5)19-9-10-22-26(3,4)23(30)12-13-28(22,6)20(19)7-8-21(27)24(29)18(17)2/h8,17-20,22-24,30H,7,9-16H2,1-6H3,(H,31,32)/t17-,18+,19+,20-,22+,23-,24+,27-,28+,29-/m0/s1",C[C@@H]1[C@@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@H]3CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12,C29H46O3,,442.344695332,LZAGCGQZQCAYEZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Viburnum dilatatum,205155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum dilatatum'],4,0,6.967528343200684 4212,10084,-1,,,,0.7418821,ISDB,LZAGCGQZQCAYEZ-OHRXEBBSSA-N,"InChI=1S/C29H46O3/c1-17-11-14-29(25(31)32)16-15-27(5)19-9-10-22-26(3,4)23(30)12-13-28(22,6)20(19)7-8-21(27)24(29)18(17)2/h8,17-20,22-24,30H,7,9-16H2,1-6H3,(H,31,32)/t17-,18+,19-,20+,22+,23+,24+,27+,28-,29+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@H]3CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@H]12,C29H46O3,,442.344695332,LZAGCGQZQCAYEZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],4,0,6.967528343200684 4213,10082,1703,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35141248,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,8.905649900436401 4214,10082,1703,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35141248,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.905649900436401 4215,10081,-1,,,,0.0,MS1_match,XTPQCRPHXZBRMP-MFAHDMLHSA-N,"InChI=1S/C25H42O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h8,12-13,15-24,27-32H,6-7,9-10H2,1-5H3/t12-,13+,15+,16-,17+,18-,19-,20+,21-,22-,23-,24+/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O11,pos_1_1proton2acetonitrile,518.272712164,XTPQCRPHXZBRMP,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 4216,10081,-1,,,,0.0,MS1_match,XTPQCRPHXZBRMP-MFAHDMLHSA-N,"InChI=1S/C25H42O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h8,12-13,15-24,27-32H,6-7,9-10H2,1-5H3/t12-,13+,15+,16-,17+,18-,19-,20+,21-,22-,23-,24+/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O11,pos_1_1proton2acetonitrile,518.272712164,XTPQCRPHXZBRMP,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4217,10079,-1,,,,0.27347988,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,5.093919515609741 4218,10079,-1,,,,0.27347988,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,5.093919515609741 4219,10079,-1,,,,0.27347988,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,0,5.093919515609741 4220,10075,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.8286499,ISDB,YCCIEQLSDVGOIO-ULKRLTICSA-N,"InChI=1S/C31H46O5/c1-17-13-31(19(3)18(2)15-35-31)36-20-14-27(5)21-7-8-22-28(6,25(33)34)23(32)9-10-29(22)16-30(21,29)12-11-26(27,4)24(17)20/h17-18,20-24,32H,3,7-16H2,1-2,4-6H3,(H,33,34)/t17-,18?,20+,21+,22+,23+,24+,26-,27+,28+,29-,30+,31-/m1/s1",C=C1C(C)CO[C@@]12C[C@@H](C)[C@H]1[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]13C)O2,C31H46O5,,498.334524572,YCCIEQLSDVGOIO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],3,2,7.314599514007568 4221,10073,-1,,,,0.38773665,ISDB,WIPNLUPGNPNSLD-HXUKBLQCSA-N,"InChI=1S/C32H52O6/c1-17-22-19-16-20(34)24-30(7,29(19,6)14-12-28(22,5)13-15-31(17,8)37)11-10-21-27(3,4)26(38-18(2)33)23(35)25(36)32(21,24)9/h16-17,20-26,34-37H,10-15H2,1-9H3/t17-,20-,21+,22+,23-,24+,25-,26+,28+,29-,30-,31+,32+/m1/s1",CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@]2(C)[C@H]3[C@H](O)C=C4[C@@H]5[C@@H](C)[C@@](C)(O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H52O6,,532.376389384,WIPNLUPGNPNSLD,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Salvia argentea,448585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia argentea'],4,0,5.550946593284607 4222,10072,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.31284645,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,2,9.251385807991028 4223,10072,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.31284645,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,2,9.251385807991028 4224,10071,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6332279,ISDB,NKKMPIXWEPUSCG-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h7H,2-6H2,1H3",CCCC(=O)CCCC=O,C8H14O2,,142.099379688,NKKMPIXWEPUSCG,Fatty acids,Fatty acyls,Fatty aldehydes,Sarracenia flava,639946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sarraceniaceae'],['Unknown'],['Sarracenia'],['Sarracenia flava'],4,0,6.532911539077759 4225,10070,178,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6912936,ISDB,NHXFTAGREZWYPK-OAJQMFOOSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,20,22-25,31H,1,10-18H2,2-8H3/t20-,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,NHXFTAGREZWYPK,Terpenoids,Triterpenoids,Lupane triterpenoids,Diospyros virginiana,525019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros virginiana'],7,3,11.265174388885498 4226,10069,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5310693,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.624277114868164 4227,10069,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5310693,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.624277114868164 4228,10069,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5310693,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.624277114868164 4229,10069,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5310693,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.624277114868164 4230,10069,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5310693,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.624277114868164 4231,10066,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9246403,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.198561191558838 4232,10066,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9246403,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.198561191558838 4233,10065,3759,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4939876,ISDB,SFSFDBPTPLSWRM-KXNUYETHSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,SFSFDBPTPLSWRM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.475950360298157 4234,10064,-1,,,,0.7676296,ISDB,UZFXHYXGPYVMSV-CPKNJQBZSA-N,"InChI=1S/C28H44O2/c1-10-20(6)24(29)28-23-15-16-27(28,9)22(14-12-19(4)5)17-21(13-11-18(2)3)25(28)30-26(23,7)8/h11-12,20,22-23H,10,13-17H2,1-9H3/t20-,22-,23-,27+,28+/m0/s1",CC[C@H](C)C(=O)[C@]12C3=C(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]1(C)CC[C@H]2C(C)(C)O3,C28H44O2,,412.334130648,UZFXHYXGPYVMSV,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum yezoense,929608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum yezoense'],4,0,7.070518493652344 4235,10063,-1,,,,0.39157835,ISDB,QSVJYFLQYMVBDR-CMNOFMQQSA-N,"InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C,C28H42O,,394.3235659639999,QSVJYFLQYMVBDR,Terpenoids,Steroids,Cholestane steroids,Conium maculatum,1001039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Conium'],['Conium maculatum'],4,0,5.56631338596344 4236,10063,-1,,,,0.39157835,ISDB,QSVJYFLQYMVBDR-CMNOFMQQSA-N,"InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C,C28H42O,,394.3235659639999,QSVJYFLQYMVBDR,Terpenoids,Steroids,Cholestane steroids,Ajuga integrifolia,6086036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga integrifolia'],4,0,5.56631338596344 4237,10062,1167,Terpenoids,Steroids,Lupane triterpenoids,0.5606614,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia umbelliformis,324916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia umbelliformis'],4,1,6.742645502090454 4238,10062,1167,Terpenoids,Steroids,Lupane triterpenoids,0.5606614,ISDB,AJMWIYWHXKOBKT-GSBYDVQLSA-N,"InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1",CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12,C25H36O2,,368.271530392,AJMWIYWHXKOBKT,Terpenoids,Diterpenoids,,Artemisia splendens,324857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia splendens'],4,1,6.742645502090454 4239,10061,-1,,,,0.522262,ISDB,GZIOHXRVLOOKSP-QYJDRXKLSA-N,"InChI=1S/C25H34O/c1-15(2)17-7-9-23(4)13-18-21(12-20(17)23)25-11-6-16(3)19(25)8-10-24(25,5)22(18)14-26/h12,14-16,19H,6-11,13H2,1-5H3/t16-,19+,23+,24+,25-/m1/s1",CC(C)C1=C2C=C3C(=C(C=O)[C@]4(C)CC[C@H]5[C@H](C)CC[C@]354)C[C@]2(C)CC1,C25H34O,,350.260965708,GZIOHXRVLOOKSP,Terpenoids,Diterpenoids,Dolastane diterpenoids,Aspergillus stellatus,397551.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus stellatus'],1,0,3.089047908782959 4240,10060,-1,,,,0.5168948,ISDB,NCPDWQQTBMASKJ-PZJWPPBQSA-N,"InChI=1S/C21H30O/c1-14(2)16-12-15-8-9-19-20(3,4)10-7-11-21(19,5)17(15)13-18(16)22-6/h8-9,12-14,19H,7,10-11H2,1-6H3/t19-,21+/m0/s1",COc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]21C,C21H30O,,298.22966558,NCPDWQQTBMASKJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,6.06757926940918 4241,10060,-1,,,,0.5168948,ISDB,NCPDWQQTBMASKJ-PZJWPPBQSA-N,"InChI=1S/C21H30O/c1-14(2)16-12-15-8-9-19-20(3,4)10-7-11-21(19,5)17(15)13-18(16)22-6/h8-9,12-14,19H,7,10-11H2,1-6H3/t19-,21+/m0/s1",COc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]21C,C21H30O,,298.22966558,NCPDWQQTBMASKJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,6.06757926940918 4242,10059,-1,,,,0.7761875,ISDB,,,,,,,QUSCYLBARMKQBD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.104749917984009 4243,10058,-1,,,,0.5212703,ISDB,OINFTKHXNVCYLH-WMHQRMGPSA-N,"InChI=1S/C16H22O/c1-10-5-4-7-16(3)8-6-12-11(2)14(17)9-13(12)15(10)16/h12-13,15H,1-2,4-9H2,3H3/t12-,13-,15+,16+/m0/s1",C=C1CCC[C@]2(C)CC[C@H]3C(=C)C(=O)C[C@@H]3[C@@H]12,C16H22O,,230.167065324,OINFTKHXNVCYLH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],4,0,6.085081100463867 4244,10058,-1,,,,0.5212703,ISDB,OINFTKHXNVCYLH-WMHQRMGPSA-N,"InChI=1S/C16H22O/c1-10-5-4-7-16(3)8-6-12-11(2)14(17)9-13(12)15(10)16/h12-13,15H,1-2,4-9H2,3H3/t12-,13-,15+,16+/m0/s1",C=C1CCC[C@]2(C)CC[C@H]3C(=C)C(=O)C[C@@H]3[C@@H]12,C16H22O,,230.167065324,OINFTKHXNVCYLH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],4,0,6.085081100463867 4245,10058,-1,,,,0.5212703,ISDB,OINFTKHXNVCYLH-WMHQRMGPSA-N,"InChI=1S/C16H22O/c1-10-5-4-7-16(3)8-6-12-11(2)14(17)9-13(12)15(10)16/h12-13,15H,1-2,4-9H2,3H3/t12-,13-,15+,16+/m0/s1",C=C1CCC[C@]2(C)CC[C@H]3C(=C)C(=O)C[C@@H]3[C@@H]12,C16H22O,,230.167065324,OINFTKHXNVCYLH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],4,0,6.085081100463867 4246,10057,-1,,,,0.74156857,ISDB,XIQXUFYJMBDYSU-CIUDSAMLSA-N,"InChI=1S/C11H20N2O2/c1-5-7(4)9-11(15)12-8(6(2)3)10(14)13-9/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC1=O,C11H20N2O2,,212.15247788,XIQXUFYJMBDYSU,Amino acids and Peptides,Small peptides,Dipeptides,Ophiocordyceps sinensis,610202.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Ophiocordycipitaceae'],['Unknown'],['Ophiocordyceps'],['Ophiocordyceps sinensis'],1,0,3.9662742614746094 4247,10056,2805,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.67940104,ISDB,WZXPZYHJWASHJM-UHFFFAOYSA-N,"InChI=1S/C14H20O/c1-9(2)12-6-4-10(3)13-7-5-11(15)8-14(12)13/h8-9,12H,4-7H2,1-3H3",CC1=C2CCC(=O)C=C2C(C(C)C)CC1,C14H20O,,204.15141526,WZXPZYHJWASHJM,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,3,8.217604160308838 4248,10055,349,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.6863912,ISDB,LDQHURFLDDRWGZ-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)cc1OC,C11H14O,,162.104465068,LDQHURFLDDRWGZ,Terpenoids,Monoterpenoids,,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],4,2,7.745564699172974 4249,10055,349,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.6863912,ISDB,LDQHURFLDDRWGZ-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)cc1OC,C11H14O,,162.104465068,LDQHURFLDDRWGZ,Terpenoids,Monoterpenoids,,Calea pilosa,7606941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea pilosa'],4,2,7.745564699172974 4250,10054,-1,,,,0.6680193,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.672077178955078 4251,10053,2015,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.41759324,ISDB,BDINBSUUIUWFNH-UHFFFAOYSA-N,"InChI=1S/C8H12O/c1-6-4-7(9)5-8(6,2)3/h4H,5H2,1-3H3",CC1=CC(=O)CC1(C)C,C8H12O,,124.088815004,BDINBSUUIUWFNH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.17037296295166 4252,10051,-1,,,,0.5187217,ISDB,DHWMEIUMQKRKAS-XJKSGUPXSA-N,"InChI=1S/C18H22O6/c1-8(19)10-12(20)9-6-7-17(2,3)23-14(9)11-13(21)16(22)18(4,5)24-15(10)11/h6-7,13,16,20-22H,1-5H3/t13-,16+/m0/s1",CC(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)[C@H]3O)OC(C)(C)C=C2,C18H22O6,,334.141638424,DHWMEIUMQKRKAS,Terpenoids,Meroterpenoids,Merohemiterpenoids,Melicope erromangensis,6125470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Melicope'],['Melicope erromangensis'],4,0,6.074886798858643 4253,10046,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.594352,ISDB,,,,,,,OXBFEJBBKCRANO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.377408027648926 4254,10045,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6556132,ISDB,SFZVDNKTWPZIJG-ACNZYQHGSA-N,"InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1",COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O11,,664.382262612,SFZVDNKTWPZIJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phytolacca thyrsiflora,5729074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Phytolaccaceae'],['Unknown'],['Phytolacca'],['Phytolacca thyrsiflora'],4,3,8.122452735900879 4255,10045,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6556132,ISDB,SFZVDNKTWPZIJG-ACNZYQHGSA-N,"InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1",COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O11,,664.382262612,SFZVDNKTWPZIJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phytolacca dodecandra,653446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Phytolaccaceae'],['Unknown'],['Phytolacca'],['Phytolacca dodecandra'],4,3,8.122452735900879 4256,10045,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6556132,ISDB,SFZVDNKTWPZIJG-ACNZYQHGSA-N,"InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1",COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O11,,664.382262612,SFZVDNKTWPZIJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phytolacca americana,216619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Phytolaccaceae'],['Unknown'],['Phytolacca'],['Phytolacca americana'],4,3,8.122452735900879 4257,10045,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6556132,ISDB,SFZVDNKTWPZIJG-ACNZYQHGSA-N,"InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1",COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O11,,664.382262612,SFZVDNKTWPZIJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phytolacca tetramera,5729071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Phytolaccaceae'],['Unknown'],['Phytolacca'],['Phytolacca tetramera'],4,3,8.122452735900879 4258,10045,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6556132,ISDB,SFZVDNKTWPZIJG-ACNZYQHGSA-N,"InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1",COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H56O11,,664.382262612,SFZVDNKTWPZIJG,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phytolacca acinosa,216648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Phytolaccaceae'],['Unknown'],['Phytolacca'],['Phytolacca acinosa'],4,3,8.122452735900879 4259,10044,-1,,,,0.32273224,ISDB,GXMAZRXKZHGJLF-UFUMQVQKSA-N,"InChI=1S/C34H50O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-25(36)42-28-26-29-32(20-35,43-29)30(38)34(41)24(18-22(4)27(34)37)33(26,40)23(5)19-31(28,39)21(2)3/h14-18,23-24,26,28-30,35,38-41H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24+,26-,28-,29+,30-,31-,32+,33+,34-/m1/s1",C=C(C)[C@]1(O)C[C@@H](C)[C@@]2(O)[C@H]([C@H]1OC(=O)/C=C/C=C/CCCCCCCCC)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]12,C34H50O9,,602.34548318,GXMAZRXKZHGJLF,Terpenoids,Diterpenoids,Daphnane diterpenoids,Wikstroemia retusa,6119731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Wikstroemia'],['Wikstroemia retusa'],4,0,5.290928959846497 4260,10044,-1,,,,0.32273224,ISDB,GXMAZRXKZHGJLF-UFUMQVQKSA-N,"InChI=1S/C34H50O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-25(36)42-28-26-29-32(20-35,43-29)30(38)34(41)24(18-22(4)27(34)37)33(26,40)23(5)19-31(28,39)21(2)3/h14-18,23-24,26,28-30,35,38-41H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24+,26-,28-,29+,30-,31-,32+,33+,34-/m1/s1",C=C(C)[C@]1(O)C[C@@H](C)[C@@]2(O)[C@H]([C@H]1OC(=O)/C=C/C=C/CCCCCCCCC)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]12,C34H50O9,,602.34548318,GXMAZRXKZHGJLF,Terpenoids,Diterpenoids,Daphnane diterpenoids,Stellera chamaejasme,191882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Stellera'],['Stellera chamaejasme'],4,0,5.290928959846497 4261,10043,178,Terpenoids,Triterpenoids,Lupane triterpenoids,0.51944226,ISDB,,,,,,,WAOBNVTUKRDXOF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0777690410614014 4262,10042,178,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6258249,ISDB,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula alleghaniensis,452595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alleghaniensis'],7,3,11.003299713134766 4263,10042,178,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6258249,ISDB,GRBHNQFQFHLCHO-BHMAJAPKSA-N,"InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O,,424.370516156,GRBHNQFQFHLCHO,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula lenta,567472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula lenta'],7,3,11.003299713134766 4264,10040,2307,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4265,10034,-1,,,,0.6566942,ISDB,SOINDUWJQBFDIH-BJFAYYBWSA-N,"InChI=1S/C32H50O3/c1-20(33)35-25-11-12-30(7)24(28(25,4)5)10-13-32(9)26(30)23(34)18-21-22-19-27(2,3)14-15-29(22,6)16-17-31(21,32)8/h18,22,24-26H,10-17,19H2,1-9H3/t22-,24-,25-,26+,29+,30-,31+,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O3,,482.37599546,SOINDUWJQBFDIH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Maquira coriacea,6108782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Maquira'],['Maquira coriacea'],5,0,7.626776695251465 4266,10033,-1,,,,0.6532894,ISDB,MMSKHYSDSPMHKQ-WQSRGKGMSA-N,"InChI=1S/C32H48O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,12-13,21,25-27H,11,14-19H2,1-9H3/t21-,25?,26-,27-,29-,30+,31-,32-/m1/s1",CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@]3(C)C2CC=C2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C,C32H48O2,,464.365430776,MMSKHYSDSPMHKQ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.613157510757446 4267,10032,1173,Fatty acids,Fatty acyls,Fatty alcohols,0.34560215,ISDB,YBFDEMZEWRINKR-FNORWQNLSA-N,"InChI=1S/C22H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5,7H,6,8-14,16,18-22H2/b7-5+",C#C/C=C/CCCC#CCCCCCCCCCCCC#C,C22H32,,296.250401024,YBFDEMZEWRINKR,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.882408618927002 4268,10030,-1,,,,0.6793088,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,0,6.717235088348389 4269,10030,-1,,,,0.6793088,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,0,6.717235088348389 4270,10028,687,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,VHOCUJPBKOZGJD-UHFFFAOYSA-N,"InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C30H60O2,pos_2_2proton2acetonitrile,452.4593311599999,VHOCUJPBKOZGJD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 4271,10027,109,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,VHOCUJPBKOZGJD-UHFFFAOYSA-N,"InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C30H60O2,pos_2_2proton2acetonitrile,452.4593311599999,VHOCUJPBKOZGJD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,1,8.5 4272,10026,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,LLECJKCNZWHQRD-WRNUKHMMSA-N,"InChI=1S/C39H58O4/c1-26(2)10-9-22-39(8,42)30-19-24-37(6)29(30)16-17-32-36(5)23-21-33(35(3,4)31(36)20-25-38(32,37)7)43-34(41)18-13-27-11-14-28(40)15-12-27/h10-15,18,29-33,40,42H,9,16-17,19-25H2,1-8H3/b18-13+/t29-,30+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O4,pos_1_minus1proton1iron,590.433510336,LLECJKCNZWHQRD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 4273,10025,109,Fatty acids,Fatty amides,Primary amides,0.7686506,ISDB,BKSKLPMHTCDKMA-YYIAUSFCSA-N,"InChI=1S/C17H33NO/c1-3-5-6-8-16-14(4-2)13-15(10-12-19)17-9-7-11-18(16)17/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1",CCCCC[C@@H]1[C@H](CC)C[C@H](CCO)[C@H]2CCCN12,C17H33NO,,267.256214676,BKSKLPMHTCDKMA,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Oophaga pumilio,891119.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Oophaga'],['Oophaga pumilio'],1,0,4.074602365493774 4274,10024,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3095647,ISDB,PUSNSFIJAMTISX-LQOHYYORSA-N,"InChI=1S/C24H42N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h6,8,19-20H,4-5,7,9-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/b8-6-/t20-/m1/s1",CC(C)CCC/C=C\CCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O,C24H42N4O4,,450.320605824,PUSNSFIJAMTISX,Fatty acids,Fatty amides,N-acyl amines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.2382588386535645 4275,10023,-1,,,,0.33259952,ISDB,MWQCBVWCBTUPDQ-HZJYTTRNSA-N,"InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,24H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCCO,C22H41NO2,,351.313729552,MWQCBVWCBTUPDQ,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,0,1.3303980827331543 4276,10020,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1sodium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,1,6.5 4277,10020,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1sodium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,1,6.5 4278,10019,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1proton1ammonium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4279,10019,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1proton1ammonium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4280,10018,1440,,,,0.47350815,ISDB,,,,,,,DOWBXHOQSFRQLP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.894032597541809 4281,10017,687,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.2523173,ISDB,BKSKLPMHTCDKMA-YYIAUSFCSA-N,"InChI=1S/C17H33NO/c1-3-5-6-8-16-14(4-2)13-15(10-12-19)17-9-7-11-18(16)17/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1",CCCCC[C@@H]1[C@H](CC)C[C@H](CCO)[C@H]2CCCN12,C17H33NO,,267.256214676,BKSKLPMHTCDKMA,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Oophaga pumilio,891119.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Oophaga'],['Oophaga pumilio'],1,3,3.5092692375183105 4282,10016,-1,,,,0.4407882,ISDB,ZOGHUZBUMIOZBV-QUUWIXIJSA-N,"InChI=1S/C31H44O4/c1-17-15-22(32)25(18(2)27(34)35-8)19-16-31(7)21-9-10-23-28(3,4)24(33)12-13-29(23,5)20(21)11-14-30(31,6)26(17)19/h9,17,19-20,23,26H,10-16H2,1-8H3/b25-18-/t17-,19+,20-,23+,26+,29-,30-,31+/m1/s1",COC(=O)/C(C)=C1\C(=O)C[C@@H](C)[C@H]2[C@H]1C[C@@]1(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]21C,C31H44O4,,480.323959888,ZOGHUZBUMIOZBV,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,7.763152837753296 4283,10013,-1,,,,0.512236,ISDB,VDCJOAVMFLFNOK-CRPNLYNSSA-N,"InChI=1S/C30H42O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h8,16,19-20,22H,9-15,17H2,1-7H3/t19-,20-,22+,26-,27+,28+,29-,30+/m1/s1",CC1=C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O,C30H42O4,,466.308309824,VDCJOAVMFLFNOK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,8.048943996429443 4284,10011,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.43073612,ISDB,VIDISXWZNJLDBI-IDEZQVRVSA-N,"InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1,C28H42O4,,442.3083098239999,VIDISXWZNJLDBI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Paeonia rockii,360650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia rockii'],4,2,6.722944498062134 4285,10011,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.43073612,ISDB,VIDISXWZNJLDBI-IDEZQVRVSA-N,"InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1,C28H42O4,,442.3083098239999,VIDISXWZNJLDBI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Paeonia anomala,985348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia anomala'],4,2,6.722944498062134 4286,10011,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.43073612,ISDB,VIDISXWZNJLDBI-IDEZQVRVSA-N,"InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1,C28H42O4,,442.3083098239999,VIDISXWZNJLDBI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Paeonia veitchii,633846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia veitchii'],4,2,6.722944498062134 4287,10009,2123,Terpenoids,Triterpenoids,Lupane triterpenoids,0.52913994,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,12.616559743881226 4288,10008,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46092585,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.343703389167786 4289,10007,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6125632,ISDB,BBPXZLJCPUPNGH-UHFFFAOYSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3",CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies grandis,343179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies grandis'],6,3,9.950252771377563 4290,10007,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6125632,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.950252771377563 4291,10006,228,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.0,MS1_match,NLKDRIXWXCDONI-USGXOTKMSA-N,"InChI=1S/C15H24O2/c1-11-6-9-14(2,3)7-5-8-15(4)13(17-15)12(16)10-11/h5-7,12-13,16H,8-10H2,1-4H3/b7-5+,11-6+/t12-,13-,15+/m1/s1",C/C1=C\CC(C)(C)/C=C/C[C@]2(C)O[C@@H]2[C@H](O)C1,C15H24O2,pos_2MNa,236.177630008,NLKDRIXWXCDONI,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4292,10006,228,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.0,MS1_match,SOTOMHKZAYNRRQ-ULBNJILZSA-N,"InChI=1S/C15H24O2/c1-11-6-5-7-15(3,4)10-14(17)12(2)9-13(16)8-11/h5,7-8,13-14,16-17H,2,6,9-10H2,1,3-4H3/b7-5+,11-8+/t13-,14-/m0/s1",C=C1C[C@@H](O)/C=C(\C)C/C=C/C(C)(C)C[C@@H]1O,C15H24O2,pos_2MNa,236.177630008,SOTOMHKZAYNRRQ,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4293,10005,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.24908487,ISDB,REGISQGEYNMFMZ-UHFFFAOYSA-N,"InChI=1S/C32H55NO4/c1-20(2)11-10-12-21(3)23-13-18-32(9)28-24(14-17-31(23,32)8)30(7)16-15-27(36-22(4)34)29(5,6)26(30)19-25(28)37-33-35/h20-21,23-28H,10-19H2,1-9H3",CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4(C)C3C(ON=O)CC2C1(C)C,C32H55NO4,,517.4131092399999,REGISQGEYNMFMZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,3,6.496339499950409 4294,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4295,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,2,9.0 4296,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,MDZKJHQSJHYOHJ-HFYZCPLSSA-N,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton1ethylamine,472.35526001599993,MDZKJHQSJHYOHJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4297,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,2,9.0 4298,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,2,9.0 4299,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,9.0 4300,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4301,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4302,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4303,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4304,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4305,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4306,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,2,9.0 4307,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,MDZKJHQSJHYOHJ-HFYZCPLSSA-N,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton1ethylamine,472.35526001599993,MDZKJHQSJHYOHJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4308,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,2,9.0 4309,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,MDZKJHQSJHYOHJ-HFYZCPLSSA-N,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1proton1ethylamine,472.35526001599993,MDZKJHQSJHYOHJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4310,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,2,9.0 4311,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,9.0 4312,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,2,9.0 4313,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,PFCVZKFJHRCLCC-PGOIBATFSA-N,"InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,PFCVZKFJHRCLCC,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,9.0 4314,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,2,9.0 4315,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,2,9.0 4316,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,PFCVZKFJHRCLCC-PGOIBATFSA-N,"InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,PFCVZKFJHRCLCC,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,9.0 4317,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,2,9.0 4318,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,2,9.0 4319,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,2,9.0 4320,10003,2489,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1proton1ethylamine,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,2,9.0 4321,10002,-1,,,,0.3045112,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,5.218044757843018 4322,10002,-1,,,,0.3045112,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,5.218044757843018 4323,10002,-1,,,,0.3045112,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,0,5.218044757843018 4324,10000,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35125378,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.905015110969543 4325,9999,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4326,9999,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4327,9999,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4328,9999,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 4329,9996,-1,,,,0.59031934,ISDB,QPLGXXNSCABWOF-RGKXCGFSSA-N,"InChI=1S/C30H40O2/c1-18-11-14-28(6,23-15-21(4)29(25(31)17-23)12-7-9-19(29)2)26-24(18)16-22(5)30(27(26)32)13-8-10-20(30)3/h15-17,19-20,26H,7-14H2,1-6H3/t19-,20-,26-,28-,29+,30+/m1/s1",CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@@]4(CCC[C@H]4C)C(=O)[C@@H]32)=CC(=O)[C@]12CCC[C@H]2C,C30H40O2,,432.30283052,QPLGXXNSCABWOF,Terpenoids,Diterpenoids,Trinervitane diterpenoids,Cineraria,353345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Unknown'],3,0,5.361277341842651 4330,9994,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,OVSVTCFNLSGAMM-OUOOUFEBSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H62,pos_3_2proton1sodium,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 4331,9994,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,OVSVTCFNLSGAMM-OUOOUFEBSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H62,pos_3_2proton1sodium,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 4332,9992,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3562142,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.924856781959534 4333,9992,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3562142,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.924856781959534 4334,9991,-1,,,,0.6968699,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,0,6.787479639053345 4335,9991,-1,,,,0.6968699,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,0,6.787479639053345 4336,9991,-1,,,,0.6968699,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,6.787479639053345 4337,9991,-1,,,,0.6968699,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,6.787479639053345 4338,9991,-1,,,,0.6968699,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,0,6.787479639053345 4339,9991,-1,,,,0.6968699,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,0,6.787479639053345 4340,9991,-1,,,,0.6968699,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,0,6.787479639053345 4341,9990,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35911024,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.936440944671631 4342,9990,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35911024,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.936440944671631 4343,9988,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.57879496,ISDB,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,9.815179824829102 4344,9988,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.57879496,ISDB,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.815179824829102 4345,9988,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.57879496,ISDB,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,9.815179824829102 4346,9987,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.38686275,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.04745101928711 4347,9986,-1,,,,0.0,MS1_match,KLAGFFXRUOBTMA-OBWPLOTHSA-N,"InChI=1S/C20H30O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,13,16-17H,2,5-9,11-12H2,1,3-4H3,(H,22,23)/b14-10-/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C\C=O,C20H30O3,pos_2MNa,318.21949482,KLAGFFXRUOBTMA,Terpenoids,Diterpenoids,Labdane diterpenoids,Thuja standishii,1047130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja standishii'],6,0,6.0 4348,9986,-1,,,,0.0,MS1_match,BJIYGXNZLPKDHO-OIGVQNGMSA-N,"InChI=1S/C20H30O3/c1-6-13(2)16(21)12-15-14(3)8-9-17-19(15,4)10-7-11-20(17,5)18(22)23/h6,15-17,21H,1-3,7-12H2,4-5H3,(H,22,23)/t15-,16-,17+,19+,20-/m0/s1",C=CC(=C)[C@@H](O)C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O,C20H30O3,pos_2MNa,318.21949482,BJIYGXNZLPKDHO,Terpenoids,Diterpenoids,Labdane diterpenoids,Thuja standishii,1047130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja standishii'],6,0,6.0 4349,9985,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76494765,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.55979061126709 4350,9985,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76494765,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.55979061126709 4351,9985,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76494765,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.55979061126709 4352,9985,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76494765,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.55979061126709 4353,9985,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76494765,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.55979061126709 4354,9983,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.420646,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.182584047317505 4355,9982,-1,,,,0.6741623,ISDB,IZWBODJDDBCDFA-DXEZAUPJSA-N,"InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,27+,28+,29-,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,,470.339609952,IZWBODJDDBCDFA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.6966493129730225 4356,9981,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.46280667,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.3512266874313354 4357,9978,322,Amino acids and Peptides,Oligopeptides,Cyclic peptides,0.44539943,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,3,4.28159773349762 4358,9977,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50598985,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.523959398269653 4359,9974,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.50192076,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.507683038711548 4360,9973,2662,Terpenoids,Triterpenoids,Lupane triterpenoids,0.46132573,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.345302939414978 4361,9973,2662,Terpenoids,Triterpenoids,Lupane triterpenoids,0.46132573,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,3,9.345302939414978 4362,9973,2662,Terpenoids,Triterpenoids,Lupane triterpenoids,0.46132573,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.345302939414978 4363,9973,2662,Terpenoids,Triterpenoids,Lupane triterpenoids,0.46132573,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,3,9.345302939414978 4364,9973,2662,Terpenoids,Triterpenoids,Lupane triterpenoids,0.46132573,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,3,9.345302939414978 4365,9972,-1,,,,0.0,MS1_match,MZUPEDPADUBWHX-DBEYSSPPSA-N,"InChI=1S/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20+,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1",C/C(=C\[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O,C30H48O4,pos_1_1proton1acetonitrile,472.35526001599993,MZUPEDPADUBWHX,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4366,9972,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-ZCQUVMBRSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24?,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 4367,9972,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4368,9972,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4369,9972,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4370,9972,-1,,,,0.0,MS1_match,UHKHABIIDWFZIO-OEQQKIETSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h10,17-18,23-24,31,33H,8-9,11-16H2,1-7H3/t18-,23+,24-,27-,28-,29+,30-/m1/s1",CC1=C[C@@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,UHKHABIIDWFZIO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4371,9972,-1,,,,0.0,MS1_match,HBCNKOIWIKGWGW-PGMLLCDLSA-N,"InChI=1S/C30H44O4/c1-18-16-30(33,34-25(18)32)17-19(2)28(6)14-11-22-20-8-9-23-26(3,4)24(31)12-13-27(23,5)21(20)10-15-29(22,28)7/h8,11,16,19,21,23-24,31,33H,9-10,12-15,17H2,1-7H3/t19-,21-,23+,24-,27-,28+,29-,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,HBCNKOIWIKGWGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4372,9972,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4373,9972,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-CYAVBXGNSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4374,9972,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-CYAVBXGNSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4375,9972,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-MKTOAJIBSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4376,9972,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4377,9972,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4378,9972,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4379,9972,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4380,9972,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-MKTOAJIBSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4381,9972,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4382,9972,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4383,9972,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-ZCQUVMBRSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24?,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 4384,9972,-1,,,,0.0,MS1_match,VOAICDJSPHYTRW-WEVVXLBYSA-N,"InChI=1S/C30H48O4/c1-18(8-7-9-19(2)25(33)34)20-16-24(32)28(6)22-11-10-21-26(3,4)23(31)12-13-29(21)17-30(22,29)15-14-27(20,28)5/h9,18,20-24,31-32H,7-8,10-17H2,1-6H3,(H,33,34)/b19-9+/t18-,20-,21+,22+,23+,24-,27-,28-,29-,30+/m1/s1",C/C(=C\CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O,C30H48O4,pos_1_1proton1acetonitrile,472.35526001599993,VOAICDJSPHYTRW,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4385,9972,-1,,,,0.0,MS1_match,IQWUFDBPSLWCGM-LMJVMJIESA-N,"InChI=1S/C30H48O4/c1-18-16-20(34-25(18)32)17-19(2)30(33)15-14-28(6)22-8-9-23-26(3,4)24(31)11-12-27(23,5)21(22)10-13-29(28,30)7/h18-20,23-24,31,33H,8-17H2,1-7H3/t18-,19-,20+,23+,24-,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@@H](C[C@@H](C)[C@@]2(O)CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)OC1=O,C30H48O4,pos_1_1proton1acetonitrile,472.355260016,IQWUFDBPSLWCGM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4386,9972,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-BKQYEIAFSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4387,9972,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-AIALLWDPSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4388,9972,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-BKQYEIAFSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4389,9972,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-AIALLWDPSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4390,9972,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4391,9972,-1,,,,0.0,MS1_match,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4392,9972,-1,,,,0.0,MS1_match,DETZLZBJHDSRCR-QXPHUOPYSA-N,"InChI=1S/C30H44O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,19-21,23-24H,1,10-17H2,2-7H3,(H,31,32)/t19-,20-,21+,23+,24-,28+,29+,30-/m1/s1",C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,DETZLZBJHDSRCR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 4393,9972,-1,,,,0.0,MS1_match,ACGCEODAXBTLQJ-RIZXRZCXSA-N,"InChI=1S/C30H44O4/c1-17(14-19-15-18(2)26(33)34-19)20-8-13-30(7)25-21(9-12-29(20,30)6)28(5)11-10-24(32)27(3,4)23(28)16-22(25)31/h15,17,19-20,23-24,32H,8-14,16H2,1-7H3/t17-,19-,20-,23+,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,ACGCEODAXBTLQJ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4394,9972,-1,,,,0.0,MS1_match,HLYMLUCSBDYNAA-AUGKFBKPSA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-21(31)17-20(3)29(7)14-10-19(2)30(29)15-11-22-23(30)8-9-24-27(4,5)25(32)12-13-28(22,24)6/h18,20,24H,2,8-17H2,1,3-7H3,(H,33,34)/t18-,20-,24+,28-,29+,30+/m1/s1",C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,HLYMLUCSBDYNAA,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4395,9972,-1,,,,0.0,MS1_match,ZNENPUJXYJMWKZ-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h17-18,21,24H,8-16H2,1-7H3,(H,33,34)",CC(=CC(=O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,ZNENPUJXYJMWKZ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4396,9972,-1,,,,0.0,MS1_match,ABGXDYHSMIYRIC-CBIIVAGISA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(32)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16,19,22,24-25,32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,22-,24+,25-,28-,29+,30-/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,ABGXDYHSMIYRIC,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 4397,9972,-1,,,,0.0,MS1_match,CQTHQCHQGAZGNF-XGPPAXDNSA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19,21,23,25,32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,21-,23+,25-,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,CQTHQCHQGAZGNF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies forrestii,200121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies forrestii'],6,0,6.0 4398,9972,-1,,,,0.0,MS1_match,DETZLZBJHDSRCR-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,19-21,23-24H,1,10-17H2,2-7H3,(H,31,32)",C=C(C)C1C=CC2=C3CCC(C)(C(C)CC4CC(C)C(=O)O4)C3(C)CCC2C1(C)CCC(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.323959888,DETZLZBJHDSRCR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4399,9972,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1proton1ethylamine,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4400,9971,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-BKQYEIAFSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1sodium,468.323959888,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4401,9971,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4402,9971,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4403,9971,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,pos_1_1sodium,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4404,9971,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4405,9971,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-MKTOAJIBSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1sodium,468.323959888,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4406,9971,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-CYAVBXGNSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1sodium,468.32395988799993,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4407,9971,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-MKTOAJIBSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1sodium,468.323959888,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4408,9971,-1,,,,0.0,MS1_match,WPOGFENDCMEDOX-CYAVBXGNSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h17-18,20,23,33H,8-16H2,1-7H3/t18-,20-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1sodium,468.32395988799993,WPOGFENDCMEDOX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4409,9971,-1,,,,0.0,MS1_match,HBCNKOIWIKGWGW-PGMLLCDLSA-N,"InChI=1S/C30H44O4/c1-18-16-30(33,34-25(18)32)17-19(2)28(6)14-11-22-20-8-9-23-26(3,4)24(31)12-13-27(23,5)21(20)10-15-29(22,28)7/h8,11,16,19,21,23-24,31,33H,9-10,12-15,17H2,1-7H3/t19-,21-,23+,24-,27-,28+,29-,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O,C30H44O4,pos_1_1sodium,468.32395988799993,HBCNKOIWIKGWGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4410,9971,-1,,,,0.0,MS1_match,UHKHABIIDWFZIO-OEQQKIETSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h10,17-18,23-24,31,33H,8-9,11-16H2,1-7H3/t18-,23+,24-,27-,28-,29+,30-/m1/s1",CC1=C[C@@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)OC1=O,C30H44O4,pos_1_1sodium,468.323959888,UHKHABIIDWFZIO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4411,9971,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4412,9971,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4413,9971,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4414,9971,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-ZCQUVMBRSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24?,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.323959888,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 4415,9971,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4416,9971,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4417,9971,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-WTIZRIRNSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4418,9971,-1,,,,0.0,MS1_match,VHBAGJSLBGJYBT-ZCQUVMBRSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24?,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.323959888,VHBAGJSLBGJYBT,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 4419,9971,-1,,,,0.0,MS1_match,CQTHQCHQGAZGNF-XGPPAXDNSA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)28(5)14-15-30(7)22-8-10-23-27(3,4)25(32)12-13-29(23,6)21(22)9-11-24(28)30/h8,11,16,19,21,23,25,32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,21-,23+,25-,28-,29-,30+/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O,C30H44O4,pos_1_1sodium,468.323959888,CQTHQCHQGAZGNF,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies forrestii,200121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies forrestii'],6,0,6.0 4420,9971,-1,,,,0.0,MS1_match,ABGXDYHSMIYRIC-CBIIVAGISA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(32)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16,19,22,24-25,32H,9-10,12-15,17H2,1-7H3,(H,33,34)/b18-16+/t19-,22-,24+,25-,28-,29+,30-/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O,C30H44O4,pos_1_1sodium,468.323959888,ABGXDYHSMIYRIC,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 4421,9971,-1,,,,0.0,MS1_match,ZNENPUJXYJMWKZ-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h17-18,21,24H,8-16H2,1-7H3,(H,33,34)",CC(=CC(=O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O,C30H44O4,pos_1_1sodium,468.323959888,ZNENPUJXYJMWKZ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4422,9971,-1,,,,0.0,MS1_match,HLYMLUCSBDYNAA-AUGKFBKPSA-N,"InChI=1S/C30H44O4/c1-18(26(33)34)16-21(31)17-20(3)29(7)14-10-19(2)30(29)15-11-22-23(30)8-9-24-27(4,5)25(32)12-13-28(22,24)6/h18,20,24H,2,8-17H2,1,3-7H3,(H,33,34)/t18-,20-,24+,28-,29+,30+/m1/s1",C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C,C30H44O4,pos_1_1sodium,468.32395988799993,HLYMLUCSBDYNAA,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4423,9971,-1,,,,0.0,MS1_match,ACGCEODAXBTLQJ-RIZXRZCXSA-N,"InChI=1S/C30H44O4/c1-17(14-19-15-18(2)26(33)34-19)20-8-13-30(7)25-21(9-12-29(20,30)6)28(5)11-10-24(32)27(3,4)23(28)16-22(25)31/h15,17,19-20,23-24,32H,8-14,16H2,1-7H3/t17-,19-,20-,23+,24-,28-,29-,30+/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H44O4,pos_1_1sodium,468.323959888,ACGCEODAXBTLQJ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4424,9971,-1,,,,0.0,MS1_match,DETZLZBJHDSRCR-QXPHUOPYSA-N,"InChI=1S/C30H44O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,19-21,23-24H,1,10-17H2,2-7H3,(H,31,32)/t19-,20-,21+,23+,24-,28+,29+,30-/m1/s1",C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O,C30H44O4,pos_1_1sodium,468.323959888,DETZLZBJHDSRCR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 4425,9971,-1,,,,0.0,MS1_match,DETZLZBJHDSRCR-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,19-21,23-24H,1,10-17H2,2-7H3,(H,31,32)",C=C(C)C1C=CC2=C3CCC(C)(C(C)CC4CC(C)C(=O)O4)C3(C)CCC2C1(C)CCC(=O)O,C30H44O4,pos_1_1sodium,468.323959888,DETZLZBJHDSRCR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4426,9971,-1,,,,0.0,MS1_match,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,pos_1_1sodium,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 4427,9971,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-AIALLWDPSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1sodium,468.32395988799993,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4428,9971,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-BKQYEIAFSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1sodium,468.323959888,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4429,9971,-1,,,,0.0,MS1_match,MEAHVVNSTHAEJW-AIALLWDPSA-N,"InChI=1S/C30H44O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,17-18,20-21,23,33H,9-16H2,1-7H3/t18-,20-,21-,23+,27-,28-,29+,30?/m1/s1",CC1=CC(O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H44O4,pos_1_1sodium,468.32395988799993,MEAHVVNSTHAEJW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 4430,9971,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-UHFFFAOYSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)",C=C(CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(=O)O,C30H44O4,pos_1_1sodium,468.323959888,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 4431,9971,-1,,,,0.0,MS1_match,BYIMMVVTZTWWCK-BWUQHZBQSA-N,"InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,18,21-22,24H,2,9-17H2,1,3-7H3,(H,33,34)/t18-,21-,22-,24+,28-,29-,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O,C30H44O4,pos_1_1sodium,468.32395988799993,BYIMMVVTZTWWCK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 4432,9970,327,Amino acids and Peptides,Triterpenoids,Cyclic peptides,0.40651894,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,2,8.626075744628906 4433,9969,-1,,,,0.0,MS1_match,IGHWTCFJWYWSDY-UHFFFAOYSA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)",CC(C)(O)C1CCC(C2CCC3(C)C4(C)CCC5C(C)(C)C(OC(=O)CC(=O)O)CCC5(C)C4CC(O)C23C)O1,C33H54O7,pos_1_1sodium,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,0,7.0 4434,9969,-1,,,,0.0,MS1_match,IGHWTCFJWYWSDY-BLMMWBQISA-N,"InChI=1S/C33H54O7/c1-28(2)21-12-15-31(6)22(30(21,5)14-13-24(28)40-27(37)18-26(35)36)17-23(34)33(8)19(11-16-32(31,33)7)20-9-10-25(39-20)29(3,4)38/h19-25,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20-,21-,22+,23+,24+,25+,30-,31+,32-,33+/m0/s1",CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1sodium,562.386954068,IGHWTCFJWYWSDY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,0,7.0 4435,9969,-1,,,,0.0,MS1_match,HXAWGFOYXSOOBU-YCIWXRGLSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27-,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1sodium,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,0,7.0 4436,9969,-1,,,,0.0,MS1_match,HXAWGFOYXSOOBU-KJARQRAKSA-N,"InChI=1S/C33H54O7/c1-28(2)21-10-15-31(6)22(30(21,5)13-11-23(28)39-26(37)18-25(35)36)17-20(34)27-19(9-14-32(27,31)7)33(8)16-12-24(40-33)29(3,4)38/h19-24,27,34,38H,9-18H2,1-8H3,(H,35,36)/t19-,20+,21-,22+,23+,24+,27+,30-,31+,32+,33-/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1,C33H54O7,pos_1_1sodium,562.386954068,HXAWGFOYXSOOBU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,0,7.0 4437,9967,-1,,,,0.5831334,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,0,8.332533597946167 4438,9967,-1,,,,0.5831334,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.332533597946167 4439,9967,-1,,,,0.5831334,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,8.332533597946167 4440,9966,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41541642,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.161665678024292 4441,9964,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60417044,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.91668176651001 4442,9963,-1,,,,0.57065886,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.282635450363159 4443,9962,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51008904,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.540356159210205 4444,9962,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51008904,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.540356159210205 4445,9961,91,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50400716,ISDB,MHAVMNJPXLZEIG-CNRMHUMKSA-N,"InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O2,,438.349780712,MHAVMNJPXLZEIG,Terpenoids,Triterpenoids,Lupane triterpenoids,Quercus suber,272709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus suber'],5,3,8.516028642654419 4446,9960,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5254307,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.601722717285156 4447,9957,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4448,9957,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4449,9957,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4450,9957,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 4451,9957,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_1_1sodium,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 4452,9957,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_1_1sodium,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 4453,9956,958,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.2562731,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,3,6.525092363357544 4454,9956,958,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.2562731,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,3,6.525092363357544 4455,9955,-1,,,,0.53233767,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,10.129350662231445 4456,9953,2015,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.4493494,ISDB,BDINBSUUIUWFNH-UHFFFAOYSA-N,"InChI=1S/C8H12O/c1-6-4-7(9)5-8(6,2)3/h4H,5H2,1-3H3",CC1=CC(=O)CC1(C)C,C8H12O,,124.088815004,BDINBSUUIUWFNH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.297397613525391 4457,9952,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.73891634,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,3,8.455665349960327 4458,9952,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.73891634,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,3,8.455665349960327 4459,9952,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.73891634,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,8.455665349960327 4460,9952,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.73891634,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,8.455665349960327 4461,9952,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.73891634,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,3,8.455665349960327 4462,9952,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.73891634,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,3,8.455665349960327 4463,9952,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.73891634,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.455665349960327 4464,9951,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.60716295,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.928651809692383 4465,9950,256,Fatty acids,Fatty amides,Primary amides,0.7589888,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.53595519065857 4466,9949,256,Fatty acids,Fatty amides,Primary amides,0.77169955,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.586798191070557 4467,9948,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.27032864,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,4.081314563751221 4468,9947,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5374633,ISDB,HLCNZOPEOXZUQN-RFPOMQOQSA-N,"InChI=1S/C19H30O2/c1-11(2)14-6-7-17(5)10-15-12(3)8-16(20)19(15)13(4)9-18(14,17)21-19/h11,13-14,16,20H,6-10H2,1-5H3/t13-,14-,16-,17-,18+,19+/m1/s1",CC1=C2C[C@@]3(C)CC[C@H](C(C)C)[C@@]34C[C@@H](C)[C@@]2(O4)[C@H](O)C1,C19H30O2,,290.2245802,HLCNZOPEOXZUQN,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Plicanthus hirtellus,428570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Anastrophyllaceae'],['Unknown'],['Plicanthus'],['Plicanthus hirtellus'],3,2,6.149853229522705 4469,9946,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.45369685,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.3147873878479 4470,9945,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5078187,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.531274795532227 4471,9945,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5078187,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.531274795532227 4472,9944,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.67042464,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.181698560714722 4473,9944,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.67042464,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.181698560714722 4474,9943,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6748451,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.199380397796631 4475,9943,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6748451,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.199380397796631 4476,9942,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.45313308,ISDB,VQMRYJZWLGXFLR-UHFFFAOYSA-N,"InChI=1S/C8H10O4/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4,9-10H,1-2H3",COc1cc(O)c(OC)c(O)c1,C8H10O4,,170.0579088,VQMRYJZWLGXFLR,Shikimates and Phenylpropanoids,,,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,1,6.312532305717468 4477,9941,-1,,,,0.58068836,ISDB,TYIFGMPLIUCLBI-YTBVGNRSSA-N,"InChI=1S/C31H44O10/c1-14-9-18(38-26(14)35)24-15(2)17-10-21(33)28(6)25-19(37-16(3)32)11-20-27(4,5)39-22-12-23(34)40-30(20,22)13-29(25,36)7-8-31(17,28)41-24/h14-15,17-22,24-25,33,36H,7-13H2,1-6H3/t14-,15-,17+,18-,19+,20-,21-,22+,24-,25-,28+,29-,30+,31-/m0/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)O[C@@H]3CC(=O)O[C@@]32C[C@@]2(O)CC[C@]34O[C@H]([C@@H]5C[C@H](C)C(=O)O5)[C@@H](C)[C@H]3C[C@H](O)[C@]4(C)[C@H]12,C31H44O10,,576.293447608,TYIFGMPLIUCLBI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Kadsura coccinea,533185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Kadsura'],['Kadsura coccinea'],4,0,6.322753429412842 4478,9940,-1,,,,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1sodium,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 4479,9939,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5129621,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.551848411560059 4480,9939,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5129621,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.551848411560059 4481,9937,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2652444,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,9.560977578163147 4482,9936,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.28160143,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,4.126405715942383 4483,9935,523,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56624234,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.76496934890747 4484,9934,735,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37998277,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,11.019931077957153 4485,9930,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,TYFJTEPDESMEHE-HNNXBMFYSA-N,"InChI=1S/C18H18O5/c1-22-14-5-2-11(3-6-14)4-7-15-9-12-8-13(19)10-16(20)17(12)18(21)23-15/h2-3,5-6,8,10,15,19-20H,4,7,9H2,1H3/t15-/m0/s1",COc1ccc(CC[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)cc1,C18H18O5,pos_1_1proton1dmso,314.1154236759999,TYFJTEPDESMEHE,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 4486,9930,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,TYFJTEPDESMEHE-HNNXBMFYSA-N,"InChI=1S/C18H18O5/c1-22-14-5-2-11(3-6-14)4-7-15-9-12-8-13(19)10-16(20)17(12)18(21)23-15/h2-3,5-6,8,10,15,19-20H,4,7,9H2,1H3/t15-/m0/s1",COc1ccc(CC[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)cc1,C18H18O5,pos_1_1proton1dmso,314.1154236759999,TYFJTEPDESMEHE,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 4487,9930,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,TYFJTEPDESMEHE-HNNXBMFYSA-N,"InChI=1S/C18H18O5/c1-22-14-5-2-11(3-6-14)4-7-15-9-12-8-13(19)10-16(20)17(12)18(21)23-15/h2-3,5-6,8,10,15,19-20H,4,7,9H2,1H3/t15-/m0/s1",COc1ccc(CC[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)cc1,C18H18O5,pos_1_1proton1dmso,314.1154236759999,TYFJTEPDESMEHE,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 4488,9930,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,TYFJTEPDESMEHE-HNNXBMFYSA-N,"InChI=1S/C18H18O5/c1-22-14-5-2-11(3-6-14)4-7-15-9-12-8-13(19)10-16(20)17(12)18(21)23-15/h2-3,5-6,8,10,15,19-20H,4,7,9H2,1H3/t15-/m0/s1",COc1ccc(CC[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)cc1,C18H18O5,pos_1_1proton1dmso,314.1154236759999,TYFJTEPDESMEHE,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 4489,9930,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,VBWXGJWGYXIXET-ONEGZZNKSA-N,"InChI=1S/C18H18O5/c1-20-17-13(7-8-14(19)18(17)21-2)5-3-4-12-6-9-15-16(10-12)23-11-22-15/h3-4,6-10,19H,5,11H2,1-2H3/b4-3+",COc1c(O)ccc(C/C=C/c2ccc3c(c2)OCO3)c1OC,C18H18O5,pos_1_1proton1dmso,314.115423676,VBWXGJWGYXIXET,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 4490,9924,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,BLKMDORKRDACEI-OVKLUEDNSA-N,"InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21)/t9-,10-,11+,12-,15+/m1/s1",COc1cc(C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H20O10,pos_1_1proton1methanol,360.1056468399999,BLKMDORKRDACEI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 4491,9924,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1isopropanol,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 4492,9924,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1isopropanol,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4493,9923,-1,,,,0.7093065,ISDB,,,,,,,BLPIRJWMKUTVBN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.837225914001465 4494,9920,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.24214272,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,3.96857088804245 4495,9919,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6634926,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.15397047996521 4496,9919,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6634926,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.15397047996521 4497,9918,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.69803256,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7921302318573 4498,9917,327,Amino acids and Peptides,Triterpenoids,Cyclic peptides,0.54711175,ISDB,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,2,9.188446998596191 4499,9913,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.38163155,ISDB,SCFQRFXFMHGBPY-VEIKWZLVSA-N,"InChI=1S/C31H42O4/c1-19(2)24-9-10-26-25(29(24,6)14-13-27(32)34-8)12-16-31(26)21(4)11-15-30(31,7)22(5)18-23-17-20(3)28(33)35-23/h10,17-18,22,24-25H,1,4,9,11-16H2,2-3,5-8H3/b23-18-/t22-,24+,25+,29+,30+,31+/m1/s1",C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)OC,C31H42O4,,478.308309824,SCFQRFXFMHGBPY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,2,8.52652621269226 4500,9912,-1,,,,0.87781215,ISDB,,,,,,,UDKTZJHLSXMWCV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.5112485885620117 4501,9911,537,Terpenoids,Diterpenoids,Trinervitane diterpenoids,0.40979668,ISDB,,,,,,,LHNJCZMEVNRERC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6391867399215698 4502,9910,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6407605,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,3,8.063041925430298 4503,9910,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6407605,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,3,8.063041925430298 4504,9910,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6407605,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,3,8.063041925430298 4505,9910,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6407605,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,3,8.063041925430298 4506,9910,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6407605,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,3,8.063041925430298 4507,9910,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6407605,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,3,8.063041925430298 4508,9910,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6407605,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,8.063041925430298 4509,9908,-1,,,,0.5659319,ISDB,UZTWKCSXTUDYPH-KNYNWVJLSA-N,"InChI=1S/C31H44O5/c1-17-24-19(18(2)32)14-22-29(5,20(24)15-21(33)25(17)34)11-13-31(7)23-16-28(4,26(35)36)9-8-27(23,3)10-12-30(22,31)6/h14-15,18-19,23,32-34H,8-13,16H2,1-7H3,(H,35,36)/t18-,19+,23+,27+,28+,29-,30+,31-/m0/s1",Cc1c(O)c(O)cc2c1[C@@H]([C@H](C)O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C,C31H44O5,,496.318874508,UZTWKCSXTUDYPH,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],3,0,5.26372766494751 4510,9907,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.32791632,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],5,3,7.811665296554565 4511,9907,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.32791632,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],5,3,7.811665296554565 4512,9903,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6504456,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.101782321929932 4513,9903,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6504456,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.101782321929932 4514,9903,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6504456,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.101782321929932 4515,9903,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6504456,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.101782321929932 4516,9903,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6504456,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.101782321929932 4517,9902,-1,,,,0.60925776,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.437031030654907 4518,9902,-1,,,,0.60925776,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,0,5.437031030654907 4519,9900,879,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.33101615,ISDB,CZGYKNXFDCANHD-DSNMAYEBSA-N,"InChI=1S/C30H52O4/c1-18(2)20(31)10-16-30(8,34)19-9-14-29(7)25(19)21(32)17-23-27(5)13-12-24(33)26(3,4)22(27)11-15-28(23,29)6/h19-25,31-34H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23-,24+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,,476.386560144,CZGYKNXFDCANHD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,10.82406461238861 4520,9899,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.29347098,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.67388391494751 4521,9897,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20669548,ISDB,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Baccharis pingraea,3898912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis angustifolia'],3,2,4.826781928539276 4522,9897,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20669548,ISDB,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Gymnosperma glutinosum,19538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gymnosperma'],['Gymnosperma glutinosum'],3,2,4.826781928539276 4523,9897,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20669548,ISDB,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Baccharis douglasii,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],3,2,4.826781928539276 4524,9897,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20669548,ISDB,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],3,2,4.826781928539276 4525,9897,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.20669548,ISDB,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Baccharis glutinosa,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],3,2,4.826781928539276 4526,9895,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.80330086,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,7.713203430175781 4527,9893,777,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.58770424,ISDB,,,,,,,OXBFEJBBKCRANO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3508169651031494 4528,9892,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2_2proton,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4529,9892,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4530,9892,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4531,9892,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4532,9892,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4533,9892,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4534,9892,821,Terpenoids,Sesquiterpenoids,"Carotenoids (C40, β-β)",0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2_2proton,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 4535,9890,-1,,,,0.5398092,ISDB,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,9.159236907958984 4536,9890,-1,,,,0.5398092,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,9.159236907958984 4537,9889,-1,,,,0.5423561,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,9.169424295425415 4538,9889,-1,,,,0.5423561,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.169424295425415 4539,9889,-1,,,,0.5423561,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.169424295425415 4540,9889,-1,,,,0.5423561,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.169424295425415 4541,9889,-1,,,,0.5423561,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,9.169424295425415 4542,9888,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.79610246,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,7.684409856796265 4543,9887,2085,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6658786,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],4,3,8.163514375686646 4544,9882,-1,,,,0.0,MS1_match,OKGZCXPDJKKZAP-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3",Cc1ccc(CO)cc1C,C9H12O,pos_1_minus1proton1magnesium,136.088815004,OKGZCXPDJKKZAP,,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 4545,9881,1181,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,TVDMUSYVWJLIDK-VZJVUDMVSA-N,"InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13-,15+/m0/s1",CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C,C15H22O2,pos_2MHNH3,234.161979944,TVDMUSYVWJLIDK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,7.5 4546,9880,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6113923,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.945569276809692 4547,9875,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.63138664,ISDB,FBBDPYYKVMTRAB-IKJVFAJVSA-N,"InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27(18-16-24(6)7)31-35(32(36)39,21-28(41-31)33(9,10)40)20-26(17-15-23(4)5)34(36,11)19-13-14-22(2)3/h14-16,25-26,28,40H,12-13,17-21H2,1-11H3/t25?,26-,28-,34+,35-,36-/m0/s1",CCC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,C36H54O5,,566.3971248280001,FBBDPYYKVMTRAB,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum henryi,657316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum henryi'],4,0,6.525546550750732 4548,9875,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.63138664,ISDB,FBBDPYYKVMTRAB-IKJVFAJVSA-N,"InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27(18-16-24(6)7)31-35(32(36)39,21-28(41-31)33(9,10)40)20-26(17-15-23(4)5)34(36,11)19-13-14-22(2)3/h14-16,25-26,28,40H,12-13,17-21H2,1-11H3/t25?,26-,28-,34+,35-,36-/m0/s1",CCC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,C36H54O5,,566.3971248280001,FBBDPYYKVMTRAB,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum perforatum,618681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum perforatum'],4,0,6.525546550750732 4549,9875,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.63138664,ISDB,FBBDPYYKVMTRAB-XIZOPHNUSA-N,"InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27(18-16-24(6)7)31-35(32(36)39,21-28(41-31)33(9,10)40)20-26(17-15-23(4)5)34(36,11)19-13-14-22(2)3/h14-16,25-26,28,40H,12-13,17-21H2,1-11H3/t25?,26-,28+,34+,35-,36-/m0/s1",CCC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,C36H54O5,,566.397124828,FBBDPYYKVMTRAB,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum cohaerens,6101365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum cohaerens'],4,0,6.525546550750732 4550,9874,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6412076,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,8.064830303192139 4551,9874,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6412076,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,3,8.064830303192139 4552,9874,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6412076,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,3,8.064830303192139 4553,9874,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6412076,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,3,8.064830303192139 4554,9874,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6412076,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,3,8.064830303192139 4555,9874,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6412076,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,3,8.064830303192139 4556,9874,583,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.6412076,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,3,8.064830303192139 4557,9873,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.591975,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,3,7.8678998947143555 4558,9873,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.591975,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,3,7.8678998947143555 4559,9873,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.591975,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema furfuracea,5700083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema furfuracea'],4,3,7.8678998947143555 4560,9872,121,Terpenoids,Sesquiterpenoids,Oxygenated hydrocarbons,0.70949835,ISDB,JCVVMRFAPQPJBD-IRXDYDNUSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1",CC(C)C1=C[C@@H]2Oc3ccccc3C[C@]2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longiracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],4,2,7.837993383407593 4561,9872,121,Terpenoids,Sesquiterpenoids,Oxygenated hydrocarbons,0.70949835,ISDB,JCVVMRFAPQPJBD-UHFFFAOYSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3",CC(C)C1=CC2Oc3ccccc3CC2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longeracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],4,2,7.837993383407593 4562,9870,-1,,,,0.0,MS1_match,FCVMOPRCAKSDFE-JUERTLPWSA-N,"InChI=1S/C35H58O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-26,28-33,36,38-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O7,pos_2MHCH3CN,590.4182541959999,FCVMOPRCAKSDFE,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 4563,9868,1002,Terpenoids,Triterpenoids,Stigmastane steroids,0.0,MS1_match,MKEYDVIGPFSUDP-HPICJHQDSA-N,"InChI=1S/C34H54O7/c1-18-7-8-20(29(38)39)19-11-15-33(5)21(26(18)19)9-10-24-32(4)14-13-25(31(2,3)23(32)12-16-34(24,33)6)41-30-28(37)27(36)22(35)17-40-30/h9,18-20,22-28,30,35-37H,7-8,10-17H2,1-6H3,(H,38,39)/t18-,19+,20+,22-,23+,24+,25-,26-,27-,28+,30+,32-,33+,34+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21,C34H54O7,pos_1_1proton1ethylamine,574.386954068,MKEYDVIGPFSUDP,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,2,7.0 4564,9867,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6254851,ISDB,FBBDPYYKVMTRAB-IKJVFAJVSA-N,"InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27(18-16-24(6)7)31-35(32(36)39,21-28(41-31)33(9,10)40)20-26(17-15-23(4)5)34(36,11)19-13-14-22(2)3/h14-16,25-26,28,40H,12-13,17-21H2,1-11H3/t25?,26-,28-,34+,35-,36-/m0/s1",CCC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,C36H54O5,,566.3971248280001,FBBDPYYKVMTRAB,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum henryi,657316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum henryi'],4,0,6.501940488815308 4565,9867,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6254851,ISDB,FBBDPYYKVMTRAB-IKJVFAJVSA-N,"InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27(18-16-24(6)7)31-35(32(36)39,21-28(41-31)33(9,10)40)20-26(17-15-23(4)5)34(36,11)19-13-14-22(2)3/h14-16,25-26,28,40H,12-13,17-21H2,1-11H3/t25?,26-,28-,34+,35-,36-/m0/s1",CCC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,C36H54O5,,566.3971248280001,FBBDPYYKVMTRAB,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum perforatum,618681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum perforatum'],4,0,6.501940488815308 4566,9867,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6254851,ISDB,FBBDPYYKVMTRAB-XIZOPHNUSA-N,"InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27(18-16-24(6)7)31-35(32(36)39,21-28(41-31)33(9,10)40)20-26(17-15-23(4)5)34(36,11)19-13-14-22(2)3/h14-16,25-26,28,40H,12-13,17-21H2,1-11H3/t25?,26-,28+,34+,35-,36-/m0/s1",CCC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,C36H54O5,,566.397124828,FBBDPYYKVMTRAB,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum cohaerens,6101365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum cohaerens'],4,0,6.501940488815308 4567,9866,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.5925408,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,3,7.870163202285767 4568,9866,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.5925408,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,3,7.870163202285767 4569,9866,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.5925408,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema furfuracea,5700083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema furfuracea'],4,3,7.870163202285767 4570,9863,727,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.81227165,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,3,8.749086618423462 4571,9861,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5842563,ISDB,HCXQUFPQHLFUCK-RXCZXEIFSA-N,"InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(23)24-3)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16+,17+,19-,20-,21+/m1/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@H]4CO,C21H34O3,,334.250794948,HCXQUFPQHLFUCK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Baccharis minutiflora,7600036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis minutiflora'],4,2,7.337025165557861 4572,9861,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5842563,ISDB,HCXQUFPQHLFUCK-RXCZXEIFSA-N,"InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(23)24-3)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16+,17+,19-,20-,21+/m1/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@H]4CO,C21H34O3,,334.250794948,HCXQUFPQHLFUCK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Beyeria leschenaultii,526463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Ricinocarpeae'],['Beyeria'],['Beyeria leschenaultii'],4,2,7.337025165557861 4573,9857,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,pos_2MNa,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,2,8.0 4574,9857,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,pos_2MNa,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,2,8.0 4575,9856,-1,,,,0.0,MS1_match,NLKDRIXWXCDONI-USGXOTKMSA-N,"InChI=1S/C15H24O2/c1-11-6-9-14(2,3)7-5-8-15(4)13(17-15)12(16)10-11/h5-7,12-13,16H,8-10H2,1-4H3/b7-5+,11-6+/t12-,13-,15+/m1/s1",C/C1=C\CC(C)(C)/C=C/C[C@]2(C)O[C@@H]2[C@H](O)C1,C15H24O2,pos_2MHNH3,236.177630008,NLKDRIXWXCDONI,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 4576,9856,-1,,,,0.0,MS1_match,SOTOMHKZAYNRRQ-ULBNJILZSA-N,"InChI=1S/C15H24O2/c1-11-6-5-7-15(3,4)10-14(17)12(2)9-13(16)8-11/h5,7-8,13-14,16-17H,2,6,9-10H2,1,3-4H3/b7-5+,11-8+/t13-,14-/m0/s1",C=C1C[C@@H](O)/C=C(\C)C/C=C/C(C)(C)C[C@@H]1O,C15H24O2,pos_2MHNH3,236.177630008,SOTOMHKZAYNRRQ,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 4577,9855,255,Terpenoids,Triterpenoids,Ergostane steroids,0.3390023,ISDB,XCTOBLHHCFPFHM-RUQYMKAZSA-N,"InChI=1S/C28H42O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h14-21,23-24,30H,6-13H2,1-5H3/t14-,15+,16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@H](C)[C@@H](C)C(=O)O1,C28H42O5,,458.303224444,XCTOBLHHCFPFHM,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],3,3,5.856009244918823 4578,9853,-1,,,,0.59832704,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,9.393308162689209 4579,9853,-1,,,,0.59832704,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,9.393308162689209 4580,9852,-1,,,,0.60497814,ISDB,DDCXFQXXQUYLQV-LFDWGOBLSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,19,22-27H,4,7-8,10-12,14-17H2,1-3,5-6H3/t19-,22+,23-,24+,25-,26-,27+,29+,30-/m0/s1",C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12,C30H44O2,,436.334130648,DDCXFQXXQUYLQV,Terpenoids,,,Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,6.419912576675415 4581,9851,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4873478,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.44939124584198 4582,9850,2275,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.7365211,ISDB,GXCQICDRLAVBPY-BDHNHABWSA-N,"InChI=1S/C27H36O5/c1-24(23(29)30)10-7-11-25(2)21(24)20(32-22(28)17-8-5-4-6-9-17)15-18-14-19-16-27(18,25)13-12-26(19,3)31/h4-6,8-9,18-21,31H,7,10-16H2,1-3H3,(H,29,30)/t18-,19-,20-,21+,24-,25+,26-,27+/m1/s1",C[C@@]1(C(=O)O)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H]3C[C@@]12CC[C@@]3(C)O,C27H36O5,,440.256274252,GXCQICDRLAVBPY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],3,3,7.446084499359131 4583,9849,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3209765,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.783905982971191 4584,9848,498,Fatty acids,Fatty acyls,Hydrocarbons,0.53314304,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora monticola,5656295.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora monticola'],1,3,4.632572174072266 4585,9848,498,Fatty acids,Fatty acyls,Hydrocarbons,0.53314304,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora obscura,5407375.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora obscura'],1,3,4.632572174072266 4586,9848,498,Fatty acids,Fatty acyls,Hydrocarbons,0.53314304,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora rosacea,5656304.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora rosacea'],1,3,4.632572174072266 4587,9848,498,Fatty acids,Fatty acyls,Hydrocarbons,0.53314304,ISDB,KSTLXIDVANTFAW-JBGDZKJPSA-N,"InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13,16-19,22-23H,1,4-10,12,14-15,20-21H2,2H3/b13-11-,18-16-,19-17-,23-22-",C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC,C23H38,,314.297351216,KSTLXIDVANTFAW,Fatty acids,Fatty acyls,Hydrocarbons,Lobophora sonderi,5988306.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Lobophora'],['Lobophora sonderi'],1,3,4.632572174072266 4588,9847,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38935176,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.057407021522522 4589,9846,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.52337366,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.593494653701782 4590,9843,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7000157,ISDB,,,,,,,WCMSFBRREKZZFL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.800062894821167 4591,9840,228,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.0,MS1_match,NLKDRIXWXCDONI-USGXOTKMSA-N,"InChI=1S/C15H24O2/c1-11-6-9-14(2,3)7-5-8-15(4)13(17-15)12(16)10-11/h5-7,12-13,16H,8-10H2,1-4H3/b7-5+,11-6+/t12-,13-,15+/m1/s1",C/C1=C\CC(C)(C)/C=C/C[C@]2(C)O[C@@H]2[C@H](O)C1,C15H24O2,pos_2MNa,236.177630008,NLKDRIXWXCDONI,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4592,9840,228,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.0,MS1_match,SOTOMHKZAYNRRQ-ULBNJILZSA-N,"InChI=1S/C15H24O2/c1-11-6-5-7-15(3,4)10-14(17)12(2)9-13(16)8-11/h5,7-8,13-14,16-17H,2,6,9-10H2,1,3-4H3/b7-5+,11-8+/t13-,14-/m0/s1",C=C1C[C@@H](O)/C=C(\C)C/C=C/C(C)(C)C[C@@H]1O,C15H24O2,pos_2MNa,236.177630008,SOTOMHKZAYNRRQ,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4593,9839,-1,,,,0.56038207,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,8.241528272628784 4594,9839,-1,,,,0.56038207,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,0,8.241528272628784 4595,9839,-1,,,,0.56038207,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,0,8.241528272628784 4596,9839,-1,,,,0.56038207,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,8.241528272628784 4597,9839,-1,,,,0.56038207,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,8.241528272628784 4598,9838,516,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_2MNa,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 4599,9838,516,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IVWHYNKOPOPMJS-NIWGLMRLSA-N,"InChI=1S/C30H50O5/c1-19(2)20-10-16-28(6)23(27(20,5)15-12-24(32)33)18-22(31)25-21(11-17-29(25,28)7)30(8,35)14-9-13-26(3,4)34/h9,13,20-23,25,31,34-35H,1,10-12,14-18H2,2-8H3,(H,32,33)/b13-9+/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_2MNa,490.3658247,IVWHYNKOPOPMJS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 4600,9837,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1proton1ammonium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 4601,9837,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C32H54O5,pos_1_1proton1ammonium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 4602,9837,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SODOCNHASA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1proton1ammonium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 4603,9837,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1proton1ammonium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,0,7.0 4604,9837,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1proton1ammonium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,0,7.0 4605,9837,-1,,,,0.0,MS1_match,OKFUMXYKQQZGEL-ORUFPOAGSA-N,"InChI=1S/C32H54O5/c1-20(2)11-10-14-31(9,35)32(36)18-17-30(8)26(32)22(37-21(3)33)19-24-28(6)15-13-25(34)27(4,5)23(28)12-16-29(24,30)7/h11,22-26,34-36H,10,12-19H2,1-9H3/t22-,23-,24-,25-,26+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C32H54O5,pos_1_1proton1ammonium,518.397124828,OKFUMXYKQQZGEL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 4606,9837,-1,,,,0.0,MS1_match,AGUHAYAHWBTKAM-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-24-12-14-29(6)23(27(24,2)3)11-16-31(8)26(29)22(34)18-21-20(10-15-30(21,31)7)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CCC2(C)C(CCC3(C)C2C(O)CC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C,C32H54O5,pos_1_1proton1ammonium,518.397124828,AGUHAYAHWBTKAM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 4607,9837,-1,,,,0.0,MS1_match,NBEIUEYVYOEVCL-LCYMMZRTSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23-,24-,25+,26+,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12,C32H54O5,pos_1_1proton1ammonium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 4608,9837,-1,,,,0.0,MS1_match,NBEIUEYVYOEVCL-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12,C32H54O5,pos_1_1proton1ammonium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 4609,9836,879,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.26637414,ISDB,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,8.565496563911438 4610,9834,2275,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.72127706,ISDB,GXCQICDRLAVBPY-BDHNHABWSA-N,"InChI=1S/C27H36O5/c1-24(23(29)30)10-7-11-25(2)21(24)20(32-22(28)17-8-5-4-6-9-17)15-18-14-19-16-27(18,25)13-12-26(19,3)31/h4-6,8-9,18-21,31H,7,10-16H2,1-3H3,(H,29,30)/t18-,19-,20-,21+,24-,25+,26-,27+/m1/s1",C[C@@]1(C(=O)O)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H]3C[C@@]12CC[C@@]3(C)O,C27H36O5,,440.256274252,GXCQICDRLAVBPY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],3,3,7.385108232498169 4611,9833,55,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,0.29559767,ISDB,JCSDHTBTDXUWOM-AEZWHUNNSA-N,"InChI=1S/C41H62O12/c1-21-33(52-23(3)43)34(53-24(4)44)32(46)35(50-21)49-20-25-26-12-13-40(8)30(41(26,9)31(45)18-29(25)51-22(2)42)11-10-27-28-19-38(6,36(47)48)15-14-37(28,5)16-17-39(27,40)7/h10,21,25-26,28-35,45-46H,11-20H2,1-9H3,(H,47,48)/t21-,25-,26-,28+,29-,30-,31-,32+,33-,34-,35+,37+,38+,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)O[C@H]1C,C41H62O12,,746.4241274240001,JCSDHTBTDXUWOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Combretum sundaicum,6119944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum sundaicum'],4,0,5.1823906898498535 4612,9832,-1,,,,0.4399651,ISDB,PXDXCTTVAVOJTB-RWJBENBGSA-N,"InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H52O6,,544.376389384,PXDXCTTVAVOJTB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Myrianthus arboreus,5922343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Myrianthus'],['Myrianthus arboreus'],5,0,6.759860396385193 4613,9831,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,2,7.0 4614,9831,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,2,7.0 4615,9831,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,2,7.0 4616,9831,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,2,7.0 4617,9830,2275,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.7263794,ISDB,GXCQICDRLAVBPY-BDHNHABWSA-N,"InChI=1S/C27H36O5/c1-24(23(29)30)10-7-11-25(2)21(24)20(32-22(28)17-8-5-4-6-9-17)15-18-14-19-16-27(18,25)13-12-26(19,3)31/h4-6,8-9,18-21,31H,7,10-16H2,1-3H3,(H,29,30)/t18-,19-,20-,21+,24-,25+,26-,27+/m1/s1",C[C@@]1(C(=O)O)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H]3C[C@@]12CC[C@@]3(C)O,C27H36O5,,440.256274252,GXCQICDRLAVBPY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],3,3,7.405517578125 4618,9829,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.49072677,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.462907075881958 4619,9827,1053,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 4620,9827,1053,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IVWHYNKOPOPMJS-NIWGLMRLSA-N,"InChI=1S/C30H50O5/c1-19(2)20-10-16-28(6)23(27(20,5)15-12-24(32)33)18-22(31)25-21(11-17-29(25,28)7)30(8,35)14-9-13-26(3,4)34/h9,13,20-23,25,31,34-35H,1,10-12,14-18H2,2-8H3,(H,32,33)/b13-9+/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,IVWHYNKOPOPMJS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 4621,9826,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32341015,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.793640613555908 4622,9826,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32341015,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.793640613555908 4623,9825,-1,,,,0.3974259,ISDB,XUOFYJKRVBHVBO-JYRBIGNMSA-N,"InChI=1S/C32H46O5/c1-18-8-13-31-15-14-30(7)29(6)12-9-19-27(4,11-10-21-28(19,5)17-34-26(2,3)36-21)23(29)22-24(35-22)32(30,20(31)16-18)37-25(31)33/h19-24H,1,8-17H2,2-7H3/t19-,20-,21+,22+,23-,24+,27+,28+,29-,30+,31+,32-/m1/s1",C=C1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@@H]3OC(C)(C)OC[C@@]3(C)[C@@H]2CC[C@]14C,C32H46O5,,510.334524572,XUOFYJKRVBHVBO,Terpenoids,,,Paeonia veitchii,633846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia veitchii'],4,0,5.589703559875488 4624,9825,-1,,,,0.3974259,ISDB,XUOFYJKRVBHVBO-JYRBIGNMSA-N,"InChI=1S/C32H46O5/c1-18-8-13-31-15-14-30(7)29(6)12-9-19-27(4,11-10-21-28(19,5)17-34-26(2,3)36-21)23(29)22-24(35-22)32(30,20(31)16-18)37-25(31)33/h19-24H,1,8-17H2,2-7H3/t19-,20-,21+,22+,23-,24+,27+,28+,29-,30+,31+,32-/m1/s1",C=C1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@@H]3OC(C)(C)OC[C@@]3(C)[C@@H]2CC[C@]14C,C32H46O5,,510.334524572,XUOFYJKRVBHVBO,Terpenoids,,,Paeonia anomala,985348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia anomala'],4,0,5.589703559875488 4625,9824,-1,,,,0.30752364,ISDB,WAGHSYJXJAHWPX-LLUYJYKPSA-N,"InChI=1S/C30H46O2/c1-19(2)16-21-17-20(18-32-21)22-10-14-30(7)24-8-9-25-27(3,4)26(31)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,20-23,25H,9-15,17-18H2,1-7H3/t20-,21+,22+,23+,25+,28-,29+,30-/m1/s1",CC(C)=C[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1,C30H46O2,,438.349780712,WAGHSYJXJAHWPX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,8.2300945520401 4626,9824,-1,,,,0.30752364,ISDB,WAGHSYJXJAHWPX-VFTVYWMSSA-N,"InChI=1S/C30H46O2/c1-19(2)16-21-17-20(18-32-21)22-10-14-30(7)24-8-9-25-27(3,4)26(31)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,20-23,25H,9-15,17-18H2,1-7H3/t20-,21-,22+,23+,25+,28-,29+,30-/m1/s1",CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1,C30H46O2,,438.349780712,WAGHSYJXJAHWPX,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cornus walteri,505082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus walteri'],7,0,8.2300945520401 4627,9823,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.6010706,ISDB,ZXTFCVATBJFEBU-GXRHTAMHSA-N,"InChI=1S/C30H40O5/c1-18-7-5-9-21-24(33)13-20(14-27(18,21)3)29(16-31)11-12-30(35,17-32)23-15-28(4)19(2)8-6-10-22(28)26(34)25(23)29/h9-10,13,18-19,31-32,35H,5-8,11-12,14-17H2,1-4H3/t18-,19-,27+,28+,29+,30-/m0/s1",C[C@H]1CCC=C2C(=O)C=C([C@]3(CO)CC[C@](O)(CO)C4=C3C(=O)C3=CCC[C@H](C)[C@@]3(C)C4)C[C@@]21C,C30H40O5,,480.28757438,ZXTFCVATBJFEBU,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Incarvillea diffusa,591883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Tecomeae'],['Incarvillea'],['Incarvillea arguta'],3,3,6.904282331466675 4628,9823,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.6010706,ISDB,ZXTFCVATBJFEBU-GXRHTAMHSA-N,"InChI=1S/C30H40O5/c1-18-7-5-9-21-24(33)13-20(14-27(18,21)3)29(16-31)11-12-30(35,17-32)23-15-28(4)19(2)8-6-10-22(28)26(34)25(23)29/h9-10,13,18-19,31-32,35H,5-8,11-12,14-17H2,1-4H3/t18-,19-,27+,28+,29+,30-/m0/s1",C[C@H]1CCC=C2C(=O)C=C([C@]3(CO)CC[C@](O)(CO)C4=C3C(=O)C3=CCC[C@H](C)[C@@]3(C)C4)C[C@@]21C,C30H40O5,,480.28757438,ZXTFCVATBJFEBU,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Incarvillea arguta,591883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Tecomeae'],['Incarvillea'],['Incarvillea arguta'],3,3,6.904282331466675 4629,9822,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32842848,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.813713908195496 4630,9822,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32842848,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.813713908195496 4631,9820,255,Terpenoids,Triterpenoids,Ergostane steroids,0.5263016,ISDB,XLXRZFLSLXHTLS-UHFFFAOYSA-N,"InChI=1S/C28H38O3/c1-16-7-8-25(3)9-11-28(6)22-15-19(29)23-17(2)24(31)20(30)14-18(23)26(22,4)10-12-27(28,5)21(25)13-16/h7,14,21-22,30-31H,8-13,15H2,1-6H3",CC1=CCC2(C)CCC3(C)C4CC(=O)c5c(cc(O)c(O)c5C)C4(C)CCC3(C)C2C1,C28H38O3,,422.282095076,XLXRZFLSLXHTLS,Terpenoids,Triterpenoids,Lupane triterpenoids,Maytenus canariensis,458948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia cassinoides'],3,2,6.105206489562988 4632,9819,-1,,,,0.6457313,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,5.582925081253052 4633,9818,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_3_1proton2sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 4634,9818,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_3_1proton2sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 4635,9817,-1,,,,0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,0,6.0 4636,9817,-1,,,,0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_2MCa,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,0,6.0 4637,9815,255,Terpenoids,Triterpenoids,Ergostane steroids,0.54283786,ISDB,XLXRZFLSLXHTLS-UHFFFAOYSA-N,"InChI=1S/C28H38O3/c1-16-7-8-25(3)9-11-28(6)22-15-19(29)23-17(2)24(31)20(30)14-18(23)26(22,4)10-12-27(28,5)21(25)13-16/h7,14,21-22,30-31H,8-13,15H2,1-6H3",CC1=CCC2(C)CCC3(C)C4CC(=O)c5c(cc(O)c(O)c5C)C4(C)CCC3(C)C2C1,C28H38O3,,422.282095076,XLXRZFLSLXHTLS,Terpenoids,Triterpenoids,Lupane triterpenoids,Maytenus canariensis,458948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia cassinoides'],3,2,6.171351432800293 4638,9812,57,Terpenoids,Steroids,Cardenolides,0.49948245,ISDB,,,,,,,JAMLQSQOJHJZCB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9979298114776611 4639,9811,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.56144476,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.745779037475586 4640,9811,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.56144476,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.745779037475586 4641,9810,-1,,,,0.0,MS1_match,BZODLVUNDCEFAE-GADBESIXSA-N,"InChI=1S/C16H24O5/c1-9(2)11-5-6-15(3)8-12-10(14(18)19-4)7-13(17)16(11,15)21-20-12/h7,9,11-13,17H,5-6,8H2,1-4H3/t11-,12+,13+,15-,16+/m1/s1",COC(=O)C1=C[C@H](O)[C@]23OO[C@H]1C[C@@]2(C)CC[C@@H]3C(C)C,C16H24O5,pos_2MNa,296.162373868,BZODLVUNDCEFAE,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 4642,9807,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5063932,ISDB,WEQIMNLYAOTTFY-GWUFTHFBSA-N,"InChI=1S/C30H42O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h10,17-18,23,33H,8-9,11-16H2,1-7H3/t18-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)OC1=O,C30H42O4,,466.308309824,WEQIMNLYAOTTFY,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.525572776794434 4643,9805,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.42093426,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.68373703956604 4644,9805,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.42093426,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.68373703956604 4645,9804,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 4646,9802,1088,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.31193596,ISDB,GOQGGGANVKPMNH-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3",COc1cc(CC=O)ccc1O,C9H10O3,,166.06299418,GOQGGGANVKPMNH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,9.747743844985962 4647,9800,1,Terpenoids,Steroids,Monoalkylresorcinols,0.21285887,ISDB,KQTRIZLQZKQLOA-PQIHHQOUSA-N,"InChI=1S/C23H32O3/c1-5-18-21(26-14(2)24)13-20-17-7-6-15-12-16(25)8-10-22(15,3)19(17)9-11-23(18,20)4/h5,12,17,19-21H,6-11,13H2,1-4H3/b18-5+/t17-,19+,20+,21+,22+,23-/m1/s1",C/C=C1\[C@@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C23H32O3,,356.235144884,KQTRIZLQZKQLOA,Terpenoids,Steroids,Pregnane steroids,Ailanthus integrifolia,333756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Ailanthus'],['Ailanthus integrifolia'],3,2,4.851435482501984 4648,9798,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1proton1ammonium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4649,9798,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1proton1ammonium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 4650,9797,-1,,,,0.0,MS1_match,BZODLVUNDCEFAE-GADBESIXSA-N,"InChI=1S/C16H24O5/c1-9(2)11-5-6-15(3)8-12-10(14(18)19-4)7-13(17)16(11,15)21-20-12/h7,9,11-13,17H,5-6,8H2,1-4H3/t11-,12+,13+,15-,16+/m1/s1",COC(=O)C1=C[C@H](O)[C@]23OO[C@H]1C[C@@]2(C)CC[C@@H]3C(C)C,C16H24O5,pos_2MNa,296.162373868,BZODLVUNDCEFAE,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 4651,9795,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,XKXZHTWOHXJEOL-GFNJAKOTSA-N,"InChI=1S/C26H42O9/c1-23-7-3-8-24(2,22(32)35-21-20(31)19(30)18(29)15(11-27)34-21)16(23)6-9-25-10-14(4-5-17(23)25)26(33,12-25)13-28/h14-21,27-31,33H,3-13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-,21+,23-,24-,25+,26-/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3,C26H42O9,pos_1_1proton1isopropanol,498.282882924,XKXZHTWOHXJEOL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 4652,9795,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FDQQDABQEPPZSE-VXYURSECSA-N,"InChI=1S/C26H42O9/c1-22-7-4-8-23(2,21(31)32)15(22)5-9-25-12-24(3,33)26(13-25,10-6-16(22)25)35-20-19(30)18(29)17(28)14(11-27)34-20/h14-20,27-30,33H,4-13H2,1-3H3,(H,31,32)/t14-,15+,16+,17-,18+,19-,20+,22-,23-,24-,25-,26+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)(CC[C@H]12)[C@](C)(O)C3,C26H42O9,pos_1_1proton1isopropanol,498.282882924,FDQQDABQEPPZSE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 4653,9793,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,1,7.5 4654,9792,1,Terpenoids,Steroids,Monoalkylresorcinols,0.2075202,ISDB,KQTRIZLQZKQLOA-PQIHHQOUSA-N,"InChI=1S/C23H32O3/c1-5-18-21(26-14(2)24)13-20-17-7-6-15-12-16(25)8-10-22(15,3)19(17)9-11-23(18,20)4/h5,12,17,19-21H,6-11,13H2,1-4H3/b18-5+/t17-,19+,20+,21+,22+,23-/m1/s1",C/C=C1\[C@@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C23H32O3,,356.235144884,KQTRIZLQZKQLOA,Terpenoids,Steroids,Pregnane steroids,Ailanthus integrifolia,333756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Ailanthus'],['Ailanthus integrifolia'],3,2,4.830080807209015 4655,9791,-1,,,,0.6566987,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,5.626794815063477 4656,9788,255,Terpenoids,Triterpenoids,Ergostane steroids,0.3434423,ISDB,KBIRYFSNYHBRLD-JKQORVJESA-N,"InChI=1S/C21H37N5O6/c1-11(2)10-14(24-18(28)13(22)7-8-16(23)27)19(29)25-17(12(3)4)20(30)26-9-5-6-15(26)21(31)32/h11-15,17H,5-10,22H2,1-4H3,(H2,23,27)(H,24,28)(H,25,29)(H,31,32)/t13-,14-,15-,17-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C,C21H37N5O6,,455.274383904,KBIRYFSNYHBRLD,Amino acids and Peptides,Small peptides,Tripeptides,Ganoderma lucidum,60045.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Ganodermataceae'],['Unknown'],['Ganoderma'],['Ganoderma lucidum'],1,0,2.373769164085388 4657,9787,255,Terpenoids,Triterpenoids,Ergostane steroids,0.27091795,ISDB,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],3,3,5.583671808242798 4658,9787,255,Terpenoids,Triterpenoids,Ergostane steroids,0.27091795,ISDB,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],3,3,5.583671808242798 4659,9787,255,Terpenoids,Triterpenoids,Ergostane steroids,0.27091795,ISDB,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],3,3,5.583671808242798 4660,9786,-1,,,,0.8122882,ISDB,FWRAOMVNCGJPHH-NSUYIWEQSA-N,"InChI=1S/C30H40O3/c1-14(2)18-10-19-17(5)27-26(25(19)15(3)9-22(18)31)20-13-29(27,8)21-11-23-28(6,7)33-30(23,32)12-16(4)24(20)21/h11,15-16,20,25-27,32H,9-10,12-13H2,1-8H3/t15-,16-,20+,25+,26-,27+,29-,30-/m1/s1",CC(C)=C1CC2=C(C)[C@H]3[C@@H]([C@H]2[C@H](C)CC1=O)[C@H]1C[C@]3(C)C2=C1[C@H](C)C[C@@]1(O)OC(C)(C)C1=C2,C30H40O3,,448.29774514,FWRAOMVNCGJPHH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Xylopia aromatica,3867945.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia aromatica'],3,0,6.249152898788452 4661,9784,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5431665,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.672666072845459 4662,9784,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5431665,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.672666072845459 4663,9782,-1,,,,0.0,MS1_match,RVANPUKYRWGEGO-DYSPHRFESA-N,"InChI=1S/C35H62O7/c1-7-22(20(2)3)9-8-21(4)25-10-11-26-24-13-17-35(40)18-23(12-16-34(35,6)27(24)14-15-33(25,26)5)41-32-31(39)30(38)29(37)28(19-36)42-32/h20-32,36-40H,7-19H2,1-6H3/t21-,22-,23+,24+,25-,26+,27+,28-,29-,30+,31-,32-,33-,34-,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H62O7,pos_2MFe,594.4495543239999,RVANPUKYRWGEGO,Terpenoids,Steroids,Stigmastane steroids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 4664,9780,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5559202,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.7236807346344 4665,9778,255,Terpenoids,Triterpenoids,Ergostane steroids,0.41739252,ISDB,XMNAPEWXZUEFBD-SBKKQPCTSA-N,"InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22+,23-,24-,25-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,,438.277009696,XMNAPEWXZUEFBD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],3,3,6.169570088386536 4666,9777,1,Terpenoids,Steroids,Monoalkylresorcinols,0.21171565,ISDB,HKVOPFDXIGAKHQ-LTYLRRHLSA-N,"InChI=1S/C24H32O5/c1-13(25)29-20-18(28)19-21(2,3)17(27)8-10-23(19,5)15-7-9-22(4)12-14(26)11-16(22)24(15,20)6/h8,10-11,15,18-20,28H,7,9,12H2,1-6H3/t15-,18-,19-,20-,22+,23-,24-/m1/s1",CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C,C24H32O5,,400.224974124,HKVOPFDXIGAKHQ,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],3,1,4.346862614154816 4667,9776,-1,,,,0.7205411,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.882164478302002 4668,9772,76,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.39105207,ISDB,XSTHELSWBAYTOI-VBLLDVAJSA-N,"InChI=1S/C46H62O9/c1-22-9-11-30-41(3,4)32(49)13-15-43(30,7)45(22)19-26-28(47)17-24-21-52-40-35-25(36(51)39(53-40)34(24)37(26)54-45)18-29(48)27-20-46(55-38(27)35)23(2)10-12-31-42(5,6)33(50)14-16-44(31,46)8/h17-18,22-23,30-33,36,39-40,47-51H,9-16,19-21H2,1-8H3/t22-,23-,30+,31+,32-,33-,36-,39-,40-,43+,44+,45-,46-/m1/s1",C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)[C@@H]1OCc2cc(O)c4c(c2[C@@H](O1)[C@@H]3O)O[C@]1(C4)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C,C46H62O9,,758.439383564,XSTHELSWBAYTOI,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Stachybotrys chartarum,735919.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Unknown'],['Unknown'],['Stachybotrys'],['Stachybotrys chartarum'],1,3,4.064208269119263 4669,9769,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,VDCJOAVMFLFNOK-CRPNLYNSSA-N,"InChI=1S/C30H42O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h8,16,19-20,22H,9-15,17H2,1-7H3/t19-,20-,22+,26-,27+,28+,29-,30+/m1/s1",CC1=C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O,C30H42O4,pos_1_1proton1methanol,466.308309824,VDCJOAVMFLFNOK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,7.5 4670,9769,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,WEQIMNLYAOTTFY-GWUFTHFBSA-N,"InChI=1S/C30H42O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h10,17-18,23,33H,8-9,11-16H2,1-7H3/t18-,23-,27-,28-,29+,30+/m1/s1",CC1=C[C@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)OC1=O,C30H42O4,pos_1_1proton1methanol,466.308309824,WEQIMNLYAOTTFY,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,7.5 4671,9769,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,MBPSURWEKIBRPI-WQWPEFBWSA-N,"InChI=1S/C30H42O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h16,19,22H,8-15,17H2,1-7H3/t19-,22+,26-,27+,28+,29-,30+/m1/s1",CC1=C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H42O4,pos_1_1proton1methanol,466.308309824,MBPSURWEKIBRPI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,7.5 4672,9769,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,VMZNMXZCZBGFNO-XVCIYZTCSA-N,"InChI=1S/C30H42O4/c1-18(26(33)34)16-21(31)17-20(3)29(7)14-10-19(2)30(29)15-11-22-23(30)8-9-24-27(4,5)25(32)12-13-28(22,24)6/h8,10,16,20,22,24H,9,11-15,17H2,1-7H3,(H,33,34)/b18-16+/t20-,22-,24+,28-,29+,30+/m1/s1",CC1=CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]12CC[C@@H]1C2=CC[C@H]2C(C)(C)C(=O)CC[C@]12C,C30H42O4,pos_1_1proton1methanol,466.308309824,VMZNMXZCZBGFNO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,7.5 4673,9769,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,DEWPUKVVTOOKSM-XVCIYZTCSA-N,"InChI=1S/C30H42O4/c1-18(26(33)34)16-21(31)17-20(3)29(7)14-10-19(2)30(29)15-11-22-23(30)8-9-24-27(4,5)25(32)12-13-28(22,24)6/h8,16,20,22,24H,2,9-15,17H2,1,3-7H3,(H,33,34)/b18-16+/t20-,22-,24+,28-,29+,30+/m1/s1",C=C1CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]12CC[C@@H]1C2=CC[C@H]2C(C)(C)C(=O)CC[C@]12C,C30H42O4,pos_1_1proton1methanol,466.308309824,DEWPUKVVTOOKSM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,7.5 4674,9768,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.44299784,ISDB,ZOGHUZBUMIOZBV-QUUWIXIJSA-N,"InChI=1S/C31H44O4/c1-17-15-22(32)25(18(2)27(34)35-8)19-16-31(7)21-9-10-23-28(3,4)24(33)12-13-29(23,5)20(21)11-14-30(31,6)26(17)19/h9,17,19-20,23,26H,10-16H2,1-8H3/b25-18-/t17-,19+,20-,23+,26+,29-,30-,31+/m1/s1",COC(=O)/C(C)=C1\C(=O)C[C@@H](C)[C@H]2[C@H]1C[C@@]1(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]21C,C31H44O4,,480.323959888,ZOGHUZBUMIOZBV,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.27199137210846 4675,9766,-1,,,,0.0,MS1_match,FITFAFMCWGCVDQ-LJQANCHMSA-N,"InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m1/s1",O[C@H](CCCCc1ccccc1)CCc1ccccc1,C19H24O,pos_1_1proton,268.182715388,FITFAFMCWGCVDQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,0,6.0 4676,9762,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.8198838,ISDB,YCCIEQLSDVGOIO-ULKRLTICSA-N,"InChI=1S/C31H46O5/c1-17-13-31(19(3)18(2)15-35-31)36-20-14-27(5)21-7-8-22-28(6,25(33)34)23(32)9-10-29(22)16-30(21,29)12-11-26(27,4)24(17)20/h17-18,20-24,32H,3,7-16H2,1-2,4-6H3,(H,33,34)/t17-,18?,20+,21+,22+,23+,24+,26-,27+,28+,29-,30+,31-/m1/s1",C=C1C(C)CO[C@@]12C[C@@H](C)[C@H]1[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]13C)O2,C31H46O5,,498.334524572,YCCIEQLSDVGOIO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],3,2,7.279535293579102 4677,9761,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4375222,ISDB,ZOGHUZBUMIOZBV-QUUWIXIJSA-N,"InChI=1S/C31H44O4/c1-17-15-22(32)25(18(2)27(34)35-8)19-16-31(7)21-9-10-23-28(3,4)24(33)12-13-29(23,5)20(21)11-14-30(31,6)26(17)19/h9,17,19-20,23,26H,10-16H2,1-8H3/b25-18-/t17-,19+,20-,23+,26+,29-,30-,31+/m1/s1",COC(=O)/C(C)=C1\C(=O)C[C@@H](C)[C@H]2[C@H]1C[C@@]1(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]21C,C31H44O4,,480.323959888,ZOGHUZBUMIOZBV,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,9.250088810920715 4678,9760,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.46659848,ISDB,,,,,,,MLDSWGYOZSOEEB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8663939237594604 4679,9755,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4680,9753,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42553926,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.202157020568848 4681,9747,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5865869,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.346347570419312 4682,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 4683,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 4684,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SODOCNHASA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 4685,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,3,8.5 4686,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,3,8.5 4687,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OKFUMXYKQQZGEL-ORUFPOAGSA-N,"InChI=1S/C32H54O5/c1-20(2)11-10-14-31(9,35)32(36)18-17-30(8)26(32)22(37-21(3)33)19-24-28(6)15-13-25(34)27(4,5)23(28)12-16-29(24,30)7/h11,22-26,34-36H,10,12-19H2,1-9H3/t22-,23-,24-,25-,26+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,OKFUMXYKQQZGEL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 4688,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,AGUHAYAHWBTKAM-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-24-12-14-29(6)23(27(24,2)3)11-16-31(8)26(29)22(34)18-21-20(10-15-30(21,31)7)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CCC2(C)C(CCC3(C)C2C(O)CC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C,C32H54O5,pos_1_1sodium,518.397124828,AGUHAYAHWBTKAM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 4689,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NBEIUEYVYOEVCL-LCYMMZRTSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23-,24-,25+,26+,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 4690,9745,59,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,NBEIUEYVYOEVCL-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12,C32H54O5,pos_1_1sodium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 4691,9743,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.831092,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,5.824368000030518 4692,9743,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.831092,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,3,5.824368000030518 4693,9743,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.831092,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Ailuropoda melanoleuca,872573.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Carnivora'],['Ursidae'],['Unknown'],['Ailuropoda'],['Ailuropoda melanoleuca'],1,3,5.824368000030518 4694,9743,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.831092,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.824368000030518 4695,9743,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.831092,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.824368000030518 4696,9742,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48375538,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.43502151966095 4697,9741,-1,,,,0.3623917,ISDB,DQYLYINTYRNUAK-AKACLTSDSA-N,"InChI=1S/C30H46O4/c1-19(2)23-14-18-30(7)25(28(23,5)16-15-26(31)32)12-11-24-22(13-17-29(24,30)6)20(3)9-8-10-21(4)27(33)34/h10,22-25H,1,3,8-9,11-18H2,2,4-7H3,(H,31,32)(H,33,34)/b21-10+/t22-,23+,24-,25+,28+,29-,30-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C,C30H46O4,,470.339609952,DQYLYINTYRNUAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,8.449566841125488 4698,9740,-1,,,,0.37893957,ISDB,DGWVBOLRGRYBRU-DLRFIJRSSA-N,"InChI=1S/C30H50O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-23,25,31,33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O3,,458.37599546,DGWVBOLRGRYBRU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,9.515758275985718 4699,9738,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8370574,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,5.848229646682739 4700,9738,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8370574,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,3,5.848229646682739 4701,9738,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8370574,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Ailuropoda melanoleuca,872573.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Carnivora'],['Ursidae'],['Unknown'],['Ailuropoda'],['Ailuropoda melanoleuca'],1,3,5.848229646682739 4702,9738,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8370574,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,5.848229646682739 4703,9738,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8370574,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,5.848229646682739 4704,9736,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,ZBHBGEFUKBOWPQ-UHFFFAOYSA-N,"InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(31)23-21-26-20-22-27(30)28(25-26)32-2/h20-23,25,30H,3-19,24H2,1-2H3",CCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C29H48O4,pos_1_1sodium1acetonitrile,460.355260016,ZBHBGEFUKBOWPQ,,,,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 4705,9735,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.63444513,ISDB,LAEIZWJAQRGPDA-BURFUSLBSA-N,"InChI=1S/C18H30O/c1-13-7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)19-13/h7,14-15H,6,8-12H2,1-5H3/t14-,15+,17+,18+/m0/s1",CC1=CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1,C18H30O,,262.22966558,LAEIZWJAQRGPDA,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.037780523300171 4706,9734,256,Fatty acids,Fatty amides,Primary amides,0.7510002,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.504000902175903 4707,9733,-1,,,,0.31222725,ISDB,,,,,,,RCRIEGZGQYGDDM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2489089965820312 4708,9732,-1,,,,0.68756783,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.750271320343018 4709,9731,-1,,,,0.522357,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.089427947998047 4710,9731,-1,,,,0.522357,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.089427947998047 4711,9730,256,Fatty acids,Fatty amides,Primary amides,0.77651674,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.606066942214966 4712,9729,256,Fatty acids,Fatty amides,Primary amides,0.7625285,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.550113916397095 4713,9728,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.6407652,ISDB,LAEIZWJAQRGPDA-BURFUSLBSA-N,"InChI=1S/C18H30O/c1-13-7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)19-13/h7,14-15H,6,8-12H2,1-5H3/t14-,15+,17+,18+/m0/s1",CC1=CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1,C18H30O,,262.22966558,LAEIZWJAQRGPDA,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],3,3,7.063060760498047 4714,9726,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5111806,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.544722318649292 4715,9726,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5111806,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.544722318649292 4716,9725,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4450182,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.280072808265686 4717,9724,2718,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51536465,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.561458587646484 4718,9724,2718,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51536465,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.561458587646484 4719,9723,256,Fatty acids,Fatty amides,Primary amides,0.7729024,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],3,3,7.591609716415405 4720,9722,256,Fatty acids,Fatty amides,Primary amides,0.76512223,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],3,3,7.560488939285278 4721,9721,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.62794626,ISDB,AQJZOYUAIGQOPF-UFPZPJHESA-N,"InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36-37H,1,8-10H2,2-6H3,(H,41,42)/t16-,20-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C=O)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H34N4O6,,606.247834808,AQJZOYUAIGQOPF,Alkaloids,,,Neptunia prostrata,8611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Neptunia'],['Neptunia oleracea'],4,0,6.51178503036499 4722,9721,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.62794626,ISDB,AQJZOYUAIGQOPF-UFPZPJHESA-N,"InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36-37H,1,8-10H2,2-6H3,(H,41,42)/t16-,20-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C=O)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H34N4O6,,606.247834808,AQJZOYUAIGQOPF,Alkaloids,,,Neptunia oleracea,8611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Neptunia'],['Neptunia oleracea'],4,0,6.51178503036499 4723,9719,-1,,,,0.5283965,ISDB,DBXOINQVJUWNRR-UHFFFAOYSA-N,"InChI=1S/C24H32O4/c1-26-20-17-15-19(16-18-20)11-8-6-4-5-7-9-12-21(25)24-22(27-2)13-10-14-23(24)28-3/h10,13-18H,4-9,11-12H2,1-3H3",COc1ccc(CCCCCCCCC(=O)c2c(OC)cccc2OC)cc1,C24H32O4,,384.230059504,DBXOINQVJUWNRR,Polyketides,Aromatic polyketides,Catechols with side chains,Myristica fragrans,710320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Myristica'],['Myristica fragrans'],3,0,5.113585948944092 4724,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,3,8.588700771331787 4725,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.588700771331787 4726,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],5,3,8.588700771331787 4727,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],5,3,8.588700771331787 4728,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],5,3,8.588700771331787 4729,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,3,8.588700771331787 4730,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],5,3,8.588700771331787 4731,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],5,3,8.588700771331787 4732,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.588700771331787 4733,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix gmelinii var. olgensis,70975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.588700771331787 4734,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus libani,608496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus libani'],5,3,8.588700771331787 4735,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.588700771331787 4736,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],5,3,8.588700771331787 4737,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,3,8.588700771331787 4738,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],5,3,8.588700771331787 4739,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,3,8.588700771331787 4740,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,3,8.588700771331787 4741,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,8.588700771331787 4742,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.588700771331787 4743,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],5,3,8.588700771331787 4744,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,3,8.588700771331787 4745,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.588700771331787 4746,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,3,8.588700771331787 4747,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],5,3,8.588700771331787 4748,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.588700771331787 4749,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],5,3,8.588700771331787 4750,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.588700771331787 4751,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.588700771331787 4752,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.588700771331787 4753,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],5,3,8.588700771331787 4754,9718,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5221752,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.588700771331787 4755,9716,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.5102493,ISDB,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,10.54099726676941 4756,9715,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MDQDZODGOBYLIX-UHFFFAOYSA-N,"InChI=1S/C15H18O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4-8,10,16H,9H2,1-3H3",Cc1ccc(C(C)C)c2cc(CO)ccc12,C15H18O,pos_1_1proton1methanol,214.135765196,MDQDZODGOBYLIX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],6,2,7.0 4757,9714,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.44987282,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.299491286277771 4758,9713,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5148116,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.559246301651001 4759,9713,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5148116,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.559246301651001 4760,9712,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63432246,ISDB,AQJZOYUAIGQOPF-UFPZPJHESA-N,"InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36-37H,1,8-10H2,2-6H3,(H,41,42)/t16-,20-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C=O)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H34N4O6,,606.247834808,AQJZOYUAIGQOPF,Alkaloids,,,Neptunia prostrata,8611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Neptunia'],['Neptunia oleracea'],4,0,6.53728985786438 4761,9712,250,Terpenoids,Sesquiterpenoids,Carbazole alkaloids,0.63432246,ISDB,AQJZOYUAIGQOPF-UFPZPJHESA-N,"InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36-37H,1,8-10H2,2-6H3,(H,41,42)/t16-,20-,31+/m0/s1",C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C=O)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C35H34N4O6,,606.247834808,AQJZOYUAIGQOPF,Alkaloids,,,Neptunia oleracea,8611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Neptunia'],['Neptunia oleracea'],4,0,6.53728985786438 4762,9711,2582,Terpenoids,Diterpenoids,Abietane diterpenoids,0.27817363,ISDB,LMNZSAWWQSPBNF-SIKLNZKXSA-N,"InChI=1S/C22H32O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h9-10,14,19H,7-8,11-13H2,1-6H3/t19-,22+/m0/s1",CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C22H32O2,,328.240230264,LMNZSAWWQSPBNF,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],6,3,8.612694501876831 4763,9710,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.3568787,ISDB,JSQVJSIGNMWZLJ-CORUAWKJSA-N,"InChI=1S/C35H52O15/c1-16-24(39)27(42)29(50-30-28(43)26(41)25(40)22(13-36)49-30)31(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3/t16-,18-,19+,20-,21+,22-,24-,25-,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,C35H52O15,,712.330620964,JSQVJSIGNMWZLJ,Terpenoids,Steroids,Cardenolides,Convallaria majalis,1088891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Convallaria'],['Convallaria majalis'],4,1,5.9275147914886475 4764,9710,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.3568787,ISDB,JSQVJSIGNMWZLJ-CORUAWKJSA-N,"InChI=1S/C35H52O15/c1-16-24(39)27(42)29(50-30-28(43)26(41)25(40)22(13-36)49-30)31(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3/t16-,18-,19+,20-,21+,22-,24-,25-,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,C35H52O15,,712.330620964,JSQVJSIGNMWZLJ,Terpenoids,Steroids,Cardenolides,Convallaria keiskei,549658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Convallaria'],['Convallaria keiskei'],4,1,5.9275147914886475 4765,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.550766229629517 4766,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.550766229629517 4767,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.550766229629517 4768,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.550766229629517 4769,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.550766229629517 4770,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.550766229629517 4771,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.550766229629517 4772,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.550766229629517 4773,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.550766229629517 4774,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.550766229629517 4775,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.550766229629517 4776,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.550766229629517 4777,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.550766229629517 4778,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.550766229629517 4779,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.550766229629517 4780,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.550766229629517 4781,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.550766229629517 4782,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.550766229629517 4783,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.550766229629517 4784,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.550766229629517 4785,9709,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51269156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.550766229629517 4786,9707,-1,,,,0.30078813,ISDB,YRYNFWXCIFYHLE-OUUBHVDSSA-N,"InChI=1S/C20H32O8/c1-12(2)7-6-8-13(3)9-10-25-20-19(27-15(5)22)18(24)17(23)16(28-20)11-26-14(4)21/h7,16-20,23-24H,3,6,8-11H2,1-2,4-5H3/t16-,17-,18+,19-,20-/m1/s1",C=C(CCC=C(C)C)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O,C20H32O8,,400.209717984,YRYNFWXCIFYHLE,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Tetraneuris ivesiana,3900034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Tetraneuris'],['Tetraneuris ivesiana'],3,0,4.203152537345886 4787,9704,382,Terpenoids,Diterpenoids,Labdane diterpenoids,0.27811953,ISDB,SKZKDRKVEQOQIT-ILWGZMRPSA-N,"InChI=1S/C22H32O3/c1-15(24)25-20(2,3)17-8-9-18-16(13-17)7-10-19-21(4,14-23)11-6-12-22(18,19)5/h8-9,13,19,23H,6-7,10-12,14H2,1-5H3/t19-,21-,22+/m0/s1",CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C22H32O3,,344.235144884,SKZKDRKVEQOQIT,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,2,7.112478137016296 4788,9703,-1,,,,0.28231263,ISDB,LMNZSAWWQSPBNF-SIKLNZKXSA-N,"InChI=1S/C22H32O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h9-10,14,19H,7-8,11-13H2,1-6H3/t19-,22+/m0/s1",CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C22H32O2,,328.240230264,LMNZSAWWQSPBNF,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,0,6.129250526428223 4789,9702,-1,,,,0.32574198,ISDB,TUQIUNWHHVJPHY-CJNGLKHVSA-N,"InChI=1S/C16H31NO3/c1-5-6-7-8-9-10-11-12-16(20-15(4)19)13(2)17-14(3)18/h13,16H,5-12H2,1-4H3,(H,17,18)/t13-,16+/m1/s1",CCCCCCCCC[C@H](OC(C)=O)[C@@H](C)NC(C)=O,C16H31NO3,,285.230393852,TUQIUNWHHVJPHY,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Clavelina oblonga,850955.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Clavelinidae'],['Unknown'],['Clavelina'],['Clavelina oblonga'],1,0,2.30296790599823 4790,9701,2891,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56867707,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.774708271026611 4791,9701,2891,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56867707,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.774708271026611 4792,9700,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.54219085,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.6687633991241455 4793,9699,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.75030124,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0012049674987793 4794,9698,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.51830953,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.573238134384155 4795,9698,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.51830953,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.573238134384155 4796,9696,-1,,,,0.0,MS1_match,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_2MNa,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 4797,9696,-1,,,,0.0,MS1_match,IVWHYNKOPOPMJS-NIWGLMRLSA-N,"InChI=1S/C30H50O5/c1-19(2)20-10-16-28(6)23(27(20,5)15-12-24(32)33)18-22(31)25-21(11-17-29(25,28)7)30(8,35)14-9-13-26(3,4)34/h9,13,20-23,25,31,34-35H,1,10-12,14-18H2,2-8H3,(H,32,33)/b13-9+/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_2MNa,490.3658247,IVWHYNKOPOPMJS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 4798,9695,1053,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 4799,9695,1053,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IVWHYNKOPOPMJS-NIWGLMRLSA-N,"InChI=1S/C30H50O5/c1-19(2)20-10-16-28(6)23(27(20,5)15-12-24(32)33)18-22(31)25-21(11-17-29(25,28)7)30(8,35)14-9-13-26(3,4)34/h9,13,20-23,25,31,34-35H,1,10-12,14-18H2,2-8H3,(H,32,33)/b13-9+/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,IVWHYNKOPOPMJS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 4800,9694,-1,,,,0.5406637,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,9.162654876708984 4801,9694,-1,,,,0.5406637,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,9.162654876708984 4802,9689,1453,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7853879,ISDB,KIHAGWUUUHJRMS-JOCHJYFZSA-N,"InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,C23H48NO7P,,481.316839506,KIHAGWUUUHJRMS,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],1,3,5.641551494598389 4803,9688,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5274317,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.609726905822754 4804,9688,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5274317,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.609726905822754 4805,9688,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5274317,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.609726905822754 4806,9688,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5274317,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.609726905822754 4807,9688,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5274317,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.609726905822754 4808,9682,1928,Terpenoids,Diterpenoids,Labdane diterpenoids,0.36477852,ISDB,GBNDVFBBFXZTRE-GVXSCFBNSA-N,"InChI=1S/C25H36O4/c1-17(2)18-7-9-20-19(15-18)8-10-21-24(3,13-6-14-25(20,21)4)16-29-23(27)12-11-22(26)28-5/h7,9,15,17,21H,6,8,10-14,16H2,1-5H3/t21-,24-,25+/m0/s1",COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C25H36O4,,400.261359632,GBNDVFBBFXZTRE,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,3,7.959114074707031 4809,9682,1928,Terpenoids,Diterpenoids,Labdane diterpenoids,0.36477852,ISDB,GBNDVFBBFXZTRE-GVXSCFBNSA-N,"InChI=1S/C25H36O4/c1-17(2)18-7-9-20-19(15-18)8-10-21-24(3,13-6-14-25(20,21)4)16-29-23(27)12-11-22(26)28-5/h7,9,15,17,21H,6,8,10-14,16H2,1-5H3/t21-,24-,25+/m0/s1",COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C25H36O4,,400.261359632,GBNDVFBBFXZTRE,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,3,7.959114074707031 4810,9680,-1,,,,0.0,MS1_match,IXYXKSAIWQZQMQ-GFOBOEFZSA-N,"InChI=1S/C34H48O11/c1-8-10-11-12-13-14-15-16-28(38)43-30-29(39)21(4)33(7,19-26(45-40)20(3)9-2)27-18-24(37)17-25-31(41-22(5)35)44-32(34(25,27)30)42-23(6)36/h9,13-17,21,24,26-27,29-32,37,39-40H,2-3,8,10-12,18-19H2,1,4-7H3/b14-13+,16-15-/t21-,24+,26-,27+,29-,30+,31+,32-,33-,34-/m1/s1",C=CC(=C)[C@@H](C[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O)OO,C34H48O11,pos_1_1sodium,632.319662356,IXYXKSAIWQZQMQ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Karpatiosorbus latifolia,582999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus latifolia'],6,0,6.0 4811,9680,-1,,,,0.0,MS1_match,IXYXKSAIWQZQMQ-GFOBOEFZSA-N,"InChI=1S/C34H48O11/c1-8-10-11-12-13-14-15-16-28(38)43-30-29(39)21(4)33(7,19-26(45-40)20(3)9-2)27-18-24(37)17-25-31(41-22(5)35)44-32(34(25,27)30)42-23(6)36/h9,13-17,21,24,26-27,29-32,37,39-40H,2-3,8,10-12,18-19H2,1,4-7H3/b14-13+,16-15-/t21-,24+,26-,27+,29-,30+,31+,32-,33-,34-/m1/s1",C=CC(=C)[C@@H](C[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O)OO,C34H48O11,pos_1_1sodium,632.319662356,IXYXKSAIWQZQMQ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Karpatiosorbus latifolia,582999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus latifolia'],6,0,6.0 4812,9680,-1,,,,0.0,MS1_match,SHPSAYQITLDCQK-GFOBOEFZSA-N,"InChI=1S/C34H48O11/c1-8-10-11-12-13-14-15-16-28(37)43-24-17-25-31(41-22(5)35)44-32(42-23(6)36)34(25)27(18-24)33(7,21(4)29(38)30(34)39)19-26(45-40)20(3)9-2/h9,13-17,21,24,26-27,29-32,38-40H,2-3,8,10-12,18-19H2,1,4-7H3/b14-13+,16-15-/t21-,24+,26-,27+,29-,30+,31+,32-,33-,34-/m1/s1",C=CC(=C)[C@@H](C[C@]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@]23C(=C[C@H](OC(=O)/C=C\C=C\CCCCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O)OO,C34H48O11,pos_1_1sodium,632.319662356,SHPSAYQITLDCQK,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Karpatiosorbus latifolia,582999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus latifolia'],6,0,6.0 4813,9679,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.24364635,ISDB,ZFSZXTDXLOPTHF-DVRXPUNCSA-N,"InChI=1S/C20H26O3/c1-12(2)14-5-6-18(3)7-8-19(4)15(17(14)18)9-16-13(11-21)10-20(19,22)23-16/h5-6,10-12,15-16,22H,7-9H2,1-4H3/t15-,16-,18-,19-,20?/m1/s1",CC(C)C1=C2[C@H]3C[C@H]4OC(O)(C=C4C=O)[C@]3(C)CC[C@@]2(C)C=C1,C20H26O3,,314.188194692,ZFSZXTDXLOPTHF,Terpenoids,Diterpenoids,Cyathane diterpenoids,Cyathus helenae,136693.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Agaricaceae'],['Unknown'],['Cyathus'],['Cyathus helenae'],1,2,2.9745854139328003 4814,9677,2015,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.45503035,ISDB,BDINBSUUIUWFNH-UHFFFAOYSA-N,"InChI=1S/C8H12O/c1-6-4-7(9)5-8(6,2)3/h4H,5H2,1-3H3",CC1=CC(=O)CC1(C)C,C8H12O,,124.088815004,BDINBSUUIUWFNH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.32012140750885 4815,9675,1928,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3652623,ISDB,GBNDVFBBFXZTRE-GVXSCFBNSA-N,"InChI=1S/C25H36O4/c1-17(2)18-7-9-20-19(15-18)8-10-21-24(3,13-6-14-25(20,21)4)16-29-23(27)12-11-22(26)28-5/h7,9,15,17,21H,6,8,10-14,16H2,1-5H3/t21-,24-,25+/m0/s1",COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C25H36O4,,400.261359632,GBNDVFBBFXZTRE,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,3,7.961049199104309 4816,9675,1928,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3652623,ISDB,GBNDVFBBFXZTRE-GVXSCFBNSA-N,"InChI=1S/C25H36O4/c1-17(2)18-7-9-20-19(15-18)8-10-21-24(3,13-6-14-25(20,21)4)16-29-23(27)12-11-22(26)28-5/h7,9,15,17,21H,6,8,10-14,16H2,1-5H3/t21-,24-,25+/m0/s1",COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C25H36O4,,400.261359632,GBNDVFBBFXZTRE,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,3,7.961049199104309 4817,9671,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RLVAVWQAAQFUOP-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)",CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C35H56O8,pos_1_1sodium,604.397518752,RLVAVWQAAQFUOP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4818,9671,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ZJQWQSQAAISKMX-GZKZZVJFSA-N,"InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C35H56O8,pos_1_1sodium,604.397518752,ZJQWQSQAAISKMX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4819,9671,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OPZZIOQITZJLAK-SAJAARKZSA-N,"InChI=1S/C35H56O8/c1-20(2)23(37)11-17-35(9,41)22-10-15-34(8)30(22)24(42-21(3)36)18-26-32(6)14-13-27(43-29(40)19-28(38)39)31(4,5)25(32)12-16-33(26,34)7/h22-27,30,37,41H,1,10-19H2,2-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27+,30-,32-,33+,34+,35-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O8,pos_1_1sodium,604.397518752,OPZZIOQITZJLAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4820,9671,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,YYZGCFAOJNBCNR-NDWLBAEDSA-N,"InChI=1S/C35H56O8/c1-21(36)42-23-19-25-32(6)16-13-26(43-28(39)20-27(37)38)31(4,5)24(32)12-18-33(25,7)34(8)17-11-22(29(23)34)35(9,41)15-10-14-30(2,3)40/h10,14,22-26,29,40-41H,11-13,15-20H2,1-9H3,(H,37,38)/b14-10+/t22-,23+,24-,25+,26+,29-,32-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O8,pos_1_1sodium,604.397518752,YYZGCFAOJNBCNR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4821,9670,2804,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.24177092,ISDB,TYLGSFWEJKPDQE-VBLNRODASA-N,"InChI=1S/C33H50O5/c1-19(2)10-9-11-20(28(35)37-8)26-27-23(38-29(26)36)18-33(7)22-12-13-24-30(3,4)25(34)15-16-31(24,5)21(22)14-17-32(27,33)6/h10,12,20-21,23-24,26-27,29,36H,9,11,13-18H2,1-8H3/t20-,21?,23+,24+,26+,27+,29+,31-,32+,33-/m1/s1",COC(=O)[C@H](CCC=C(C)C)[C@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4CC[C@@]23C)O[C@@H]1O,C33H50O5,,526.3658247,TYLGSFWEJKPDQE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Melia volkensii,991935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia volkensii'],4,3,6.467083692550659 4822,9667,-1,,,,0.4021782,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,0,6.608712792396545 4823,9666,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.57682717,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.807308673858643 4824,9665,2891,Terpenoids,Diterpenoids,Abietane diterpenoids,0.22829509,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,9.413180351257324 4825,9664,1449,Terpenoids,Triterpenoids,Monocyclic monoterpenoids,0.56929415,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,2,7.27717661857605 4826,9663,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_3_1proton2sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 4827,9663,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_3_1proton2sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 4828,9662,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],6,0,6.0 4829,9662,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 4830,9662,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 4831,9662,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus torreyana,635132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus torreyana'],6,0,6.0 4832,9662,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],6,0,6.0 4833,9661,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,1,7.5 4834,9660,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38560492,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.042419672012329 4835,9660,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38560492,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,8.042419672012329 4836,9658,2616,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.3172037,ISDB,QNWUKAPRXIAXCS-RSZYDBLBSA-N,"InChI=1S/C30H44O2/c1-19-9-8-10-22(12-13-25-23(19)16-29(25,4)5)18-32-28-14-11-20(2)24-17-30(6,7)26(24)15-27(31)21(28)3/h10,23-26,28H,1-3,8-9,11-18H2,4-7H3/b22-10-/t23-,24-,25-,26-,28-/m1/s1",C=C1CC/C=C(\CO[C@@H]2CCC(=C)[C@H]3CC(C)(C)[C@@H]3CC(=O)C2=C)CC[C@@H]2[C@@H]1CC2(C)C,C30H44O2,,436.334130648,QNWUKAPRXIAXCS,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Pulicaria scabra,805864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria scabra'],4,3,6.7688148021698 4837,9657,-1,,,,0.30616,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,5.2246400117874146 4838,9657,-1,,,,0.30616,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,5.2246400117874146 4839,9657,-1,,,,0.30616,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,0,5.2246400117874146 4840,9655,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3941018,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.076407194137573 4841,9655,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3941018,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,8.076407194137573 4842,9654,-1,,,,0.2940732,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,5.176292777061462 4843,9654,-1,,,,0.2940732,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,5.176292777061462 4844,9654,-1,,,,0.2940732,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,0,5.176292777061462 4845,9653,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6868384,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.247353553771973 4846,9653,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6868384,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.247353553771973 4847,9651,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38607368,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.044294714927673 4848,9650,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51835155,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.573406219482422 4849,9649,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5634607,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.753842830657959 4850,9648,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.67716616,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.208664655685425 4851,9648,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.67716616,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.208664655685425 4852,9644,-1,,,,0.5788238,ISDB,ZRVDANDJSTYELM-FXAWDEMLSA-N,"InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1",CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,ZRVDANDJSTYELM,Terpenoids,Diterpenoids,Totarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,9.315295219421387 4853,9643,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.75332326,ISDB,ZSZRRSWODAXOPL-VMLRXSKPSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15-,16-,17+,18-,19-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia guacharaca,7051684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Espeletiopsis'],['Espeletiopsis guacharaca'],3,3,7.513293027877808 4854,9643,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.75332326,ISDB,ZSZRRSWODAXOPL-VMLRXSKPSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15-,16-,17+,18-,19-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletiopsis guacharaca,7051684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Espeletiopsis'],['Espeletiopsis guacharaca'],3,3,7.513293027877808 4855,9643,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.75332326,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia tamana,7051700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus tamanus'],3,3,7.513293027877808 4856,9643,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.75332326,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Libanothamnus tamanus,7051700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus tamanus'],3,3,7.513293027877808 4857,9643,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.75332326,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia wurdackii,7606576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Carramboa'],['Carramboa wurdackii'],3,3,7.513293027877808 4858,9643,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.75332326,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Carramboa wurdackii,7606576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Carramboa'],['Carramboa wurdackii'],3,3,7.513293027877808 4859,9643,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.75332326,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Libanothamnus banksiifolius,7606707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus banksiifolius'],3,3,7.513293027877808 4860,9642,494,Terpenoids,Triterpenoids,Lupane triterpenoids,0.45545277,ISDB,MHAVMNJPXLZEIG-CNRMHUMKSA-N,"InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O2,,438.349780712,MHAVMNJPXLZEIG,Terpenoids,Triterpenoids,Lupane triterpenoids,Quercus suber,272709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus suber'],5,3,8.321811079978943 4861,9641,-1,,,,0.61794955,ISDB,DDCXFQXXQUYLQV-LFDWGOBLSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,19,22-27H,4,7-8,10-12,14-17H2,1-3,5-6H3/t19-,22+,23-,24+,25-,26-,27+,29+,30-/m0/s1",C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12,C30H44O2,,436.334130648,DDCXFQXXQUYLQV,Terpenoids,,,Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,6.4717981815338135 4862,9637,1127,Fatty acids,Fatty esters,Fatty acid estolides,0.4514605,ISDB,LRKWDKCSHJWJST-BAGYTPMASA-N,"InChI=1S/C22H41NO3/c1-18(24)14-12-10-8-6-4-5-7-9-11-13-15-21-16-17-22(19(2)23-21)26-20(3)25/h19,21-23H,4-17H2,1-3H3/t19-,21+,22-/m1/s1",CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(C)=O)[C@@H](C)N1,C22H41NO3,,367.308644172,LRKWDKCSHJWJST,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],3,0,4.805842041969299 4863,9636,1127,Fatty acids,Fatty esters,Fatty acid estolides,0.39105567,ISDB,IJUQYYAQRYPAMG-FCHUYYIVSA-N,"InChI=1S/C22H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)21(23-19(2)24)18-27-20(3)25/h21-22,26H,4-18H2,1-3H3,(H,23,24)/t21-,22+/m0/s1",CCCCCCCCCCCCCCC[C@@H](O)[C@H](COC(C)=O)NC(C)=O,C22H43NO4,,385.319208856,IJUQYYAQRYPAMG,Fatty acids,Sphingolipids,Ceramides,Grifola gargal,839260.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Meripilaceae'],['Unknown'],['Grifola'],['Grifola gargal'],1,1,3.0642226934432983 4864,9628,889,Terpenoids,Diterpenoids,Abietane diterpenoids,0.58975667,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.859026670455933 4865,9628,889,Terpenoids,Diterpenoids,Abietane diterpenoids,0.58975667,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.859026670455933 4866,9626,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,SAIOSKKYQVZFSU-RLOZBYJMSA-N,"InChI=1S/C31H52O12/c1-16(10-12-32)5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-41-29-27(39)25(37)24(36)20(43-29)14-40-28-26(38)23(35)19(13-33)42-28/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+/t18-,19+,20-,21+,22-,23+,24-,25+,26-,27-,28-,29-,30+,31-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C31H52O12,pos_1_1proton1ammonium,616.345877104,SAIOSKKYQVZFSU,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 4867,9626,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,SAIOSKKYQVZFSU-RLOZBYJMSA-N,"InChI=1S/C31H52O12/c1-16(10-12-32)5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-41-29-27(39)25(37)24(36)20(43-29)14-40-28-26(38)23(35)19(13-33)42-28/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3/b16-10+/t18-,19+,20-,21+,22-,23+,24-,25+,26-,27-,28-,29-,30+,31-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C31H52O12,pos_1_1proton1ammonium,616.345877104,SAIOSKKYQVZFSU,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 4868,9620,249,Terpenoids,Steroids,Cardenolides,0.51023954,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.5409581661224365 4869,9617,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.7240997,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,0,6.8963987827301025 4870,9617,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.7240997,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,0,6.8963987827301025 4871,9617,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.7240997,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,6.8963987827301025 4872,9617,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.7240997,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,6.8963987827301025 4873,9617,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.7240997,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,0,6.8963987827301025 4874,9617,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.7240997,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,0,6.8963987827301025 4875,9617,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.7240997,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,0,6.8963987827301025 4876,9615,1065,Fatty acids,Fatty esters,Oxo fatty acids,0.42161933,ISDB,YJUGEDOVVZWVQY-HTXNQAPBSA-N,"InChI=1S/C20H36O4/c1-4-5-6-7-8-12-15-19(23-2)17-18(21)14-11-9-10-13-16-20(22)24-3/h17H,4-16H2,1-3H3/b19-17+",CCCCCCCC/C(=C\C(=O)CCCCCCC(=O)OC)OC,C20H36O4,,340.261359632,YJUGEDOVVZWVQY,Fatty acids,Fatty esters,Wax monoesters,Hibiscus rosa-sinensis,378513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus rosa-sinensis'],6,2,8.686477303504944 4877,9613,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3666728,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,2,5.466691255569458 4878,9613,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3666728,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,2,5.466691255569458 4879,9612,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1sodium,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4880,9612,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1sodium,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4881,9611,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.36950392,ISDB,COVOAFBIODKGNE-STJFWIPUSA-N,"InChI=1S/C33H52O7/c1-16-8-11-33(38-15-16)17(2)26-25(40-33)14-23-21-7-6-19-12-20(34)13-24(30-29(37)28(36)27(35)18(3)39-30)32(19,5)22(21)9-10-31(23,26)4/h6,16-18,20-30,34-37H,7-15H2,1-5H3/t16-,17-,18+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29+,30-,31-,32-,33+/m0/s1",C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H]([C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C33H52O7,,560.371304004,COVOAFBIODKGNE,Terpenoids,Steroids,Spirostane steroids,Nolina microcarpa,273514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Nolina'],['Nolina microcarpa'],4,1,5.978015661239624 4882,9610,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.33283857,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.831354260444641 4883,9609,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6354916,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.041966438293457 4884,9609,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6354916,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.041966438293457 4885,9607,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46043694,ISDB,BXCDNFMSWNBZGR-PKIGEZQHSA-N,"InChI=1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22+,23-,24+,27+,30+,31-,32-,33+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C33H50O6,,542.36073932,BXCDNFMSWNBZGR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,3,7.341747760772705 4886,9606,1079,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.26681697,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia celebica,729746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia celebica'],4,3,6.567267894744873 4887,9606,1079,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.26681697,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia speciosa,885608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia speciosa'],4,3,6.567267894744873 4888,9605,1449,Terpenoids,Triterpenoids,Monocyclic monoterpenoids,0.6546349,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,3,8.118539571762085 4889,9605,1449,Terpenoids,Triterpenoids,Monocyclic monoterpenoids,0.6546349,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,3,8.118539571762085 4890,9605,1449,Terpenoids,Triterpenoids,Monocyclic monoterpenoids,0.6546349,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,3,8.118539571762085 4891,9605,1449,Terpenoids,Triterpenoids,Monocyclic monoterpenoids,0.6546349,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,3,8.118539571762085 4892,9605,1449,Terpenoids,Triterpenoids,Monocyclic monoterpenoids,0.6546349,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,3,8.118539571762085 4893,9605,1449,Terpenoids,Triterpenoids,Monocyclic monoterpenoids,0.6546349,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,3,8.118539571762085 4894,9605,1449,Terpenoids,Triterpenoids,Monocyclic monoterpenoids,0.6546349,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,8.118539571762085 4895,9604,3200,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1proton,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4896,9604,3200,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1proton,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4897,9604,3200,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,COUZJTKJINDPEN-JAVKLMNMSA-N,"InChI=1S/C32H48O8/c1-18(33)38-20-16-22-29(4)12-10-23(39-26(37)17-24(34)35)28(2,3)21(29)9-14-30(22,5)31(6)13-8-19(27(20)31)32(7)15-11-25(36)40-32/h19-23,27H,8-17H2,1-7H3,(H,34,35)/t19-,20+,21-,22+,23+,27-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CCC(=O)O3)[C@@H]12,C32H48O8,pos_1_1proton1isopropanol,560.334918496,COUZJTKJINDPEN,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4898,9598,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3875634,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.050253629684448 4899,9597,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7417054,ISDB,KFWYCGGJKBFGRT-LSDHHAIUSA-N,"InChI=1S/C19H26N2/c1-2-14-11-15-7-8-19-17(9-10-21(12-14)13-15)16-5-3-4-6-18(16)20-19/h3-6,14-15,20H,2,7-13H2,1H3/t14-,15+/m0/s1",CC[C@H]1C[C@H]2CCc3[nH]c4ccccc4c3CCN(C2)C1,C19H26N2,,282.209598832,KFWYCGGJKBFGRT,Alkaloids,Tryptophan alkaloids,Iboga type,Tabernaemontana eglandulosa,312297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana eglandulosa'],3,1,6.466821670532227 4900,9595,249,Terpenoids,Steroids,Cardenolides,0.533932,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.635727882385254 4901,9593,-1,,,,0.40372872,ISDB,HKAFMWUZQIJIPJ-NBYGBCCTSA-N,"InChI=1S/C31H48O5/c1-18(15-20-16-19(2)25(33)36-20)21-9-11-30(7)26(34)31(14-13-28(21,30)5)23(32)17-22-27(3,4)24(35-8)10-12-29(22,31)6/h16,18,20-24,32H,9-15,17H2,1-8H3/t18-,20-,21-,22+,23+,24-,28-,29+,30+,31-/m1/s1",CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@@]23CC[C@]2(C)[C@@H]([C@H](C)C[C@@H]4C=C(C)C(=O)O4)CC[C@@]2(C)C3=O)C1(C)C,C31H48O5,,500.3501746359999,HKAFMWUZQIJIPJ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies veitchii,648452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies veitchii'],5,0,6.614914894104004 4902,9592,2971,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.38165298,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,6.026611924171448 4903,9591,-1,,,,0.57468396,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,9.298735857009888 4904,9591,-1,,,,0.57468396,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.298735857009888 4905,9591,-1,,,,0.57468396,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.298735857009888 4906,9591,-1,,,,0.57468396,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.298735857009888 4907,9591,-1,,,,0.57468396,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,9.298735857009888 4908,9589,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.4478727,ISDB,,,,,,,ZEWMITGOOOKYQY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7914907932281494 4909,9588,-1,,,,0.4910955,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.96438205242157 4910,9588,-1,,,,0.4910955,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.96438205242157 4911,9586,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5618212,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,11.247284889221191 4912,9585,-1,,,,0.617162,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,9.468647956848145 4913,9585,-1,,,,0.617162,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,9.468647956848145 4914,9583,-1,,,,0.388246,ISDB,SNZVYWPNUDUKMW-XNTOXWQXSA-N,"InChI=1S/C23H32N2O4/c26-15-18-12-17(20-7-4-8-22(27)24-20)14-25-10-9-19(13-21(18)25)29-23(28)11-16-5-2-1-3-6-16/h1-3,5-6,17-21,26H,4,7-15H2,(H,24,27)/t17-,18+,19-,20-,21+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](OC(=O)Cc4ccccc4)CCN3C2)N1,C23H32N2O4,,400.236207504,SNZVYWPNUDUKMW,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,4.552983999252319 4915,9582,888,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.20460184,ISDB,AYDJDNNMKHXZOQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C(=O)O)C1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.318407356739044 4916,9581,2046,Terpenoids,Triterpenoids,Lupane triterpenoids,0.66252404,ISDB,BZNIIOGSANMIET-MZWAYPSQSA-N,"InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20-,21+,22-,23-,24?,27-,28+,29+,30+/m0/s1",CC1(C)CC[C@]23CC[C@]4(C)C(CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2C1OC3,C30H50O2,,442.38108084,BZNIIOGSANMIET,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,3,12.15009617805481 4917,9580,-1,,,,0.5072243,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.028897285461426 4918,9579,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 4919,9578,2046,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5707184,ISDB,XUARCIYIVXVTAE-HGBZRQGGSA-N,"InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24-,25+,27+,28-,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H50O2,,442.38108084,XUARCIYIVXVTAE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,2,12.282873630523682 4920,9577,-1,,,,0.6076793,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,0,8.43071722984314 4921,9576,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48461834,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.438473343849182 4922,9575,2046,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6897201,ISDB,BZNIIOGSANMIET-MZWAYPSQSA-N,"InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20-,21+,22-,23-,24?,27-,28+,29+,30+/m0/s1",CC1(C)CC[C@]23CC[C@]4(C)C(CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2C1OC3,C30H50O2,,442.38108084,BZNIIOGSANMIET,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,3,12.258880376815796 4923,9574,-1,,,,0.59669405,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,0,8.386776208877563 4924,9573,-1,,,,0.5194625,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.077850103378296 4925,9569,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.2942988,ISDB,DSTOROHYHNDBMG-SZCSQRRTSA-N,"InChI=1S/C34H52O8/c1-19(25(41-20(2)35)16-28(30(6,7)38)42-21(3)36)22-14-15-31(8)26-12-10-23-24(11-13-27(37)29(23,4)5)32(26,9)34(39)17-33(22,31)18-40-34/h10,19,22,24-26,28,38-39H,11-18H2,1-9H3/t19-,22+,24+,25+,26-,28+,31-,32-,33-,34-/m0/s1",CC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)[C@]3(O)C[C@]12CO3,C34H52O8,,588.3662186239999,DSTOROHYHNDBMG,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Leucopaxillus gentianeus,963203.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Tricholomataceae'],['Unknown'],['Leucopaxillus'],['Leucopaxillus gentianeus'],1,2,3.177195191383362 4926,9569,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.2942988,ISDB,DSTOROHYHNDBMG-UHFFFAOYSA-N,"InChI=1S/C34H52O8/c1-19(25(41-20(2)35)16-28(30(6,7)38)42-21(3)36)22-14-15-31(8)26-12-10-23-24(11-13-27(37)29(23,4)5)32(26,9)34(39)17-33(22,31)18-40-34/h10,19,22,24-26,28,38-39H,11-18H2,1-9H3",CC(=O)OC(CC(OC(C)=O)C(C)(C)O)C(C)C1CCC2(C)C3CC=C4C(CCC(=O)C4(C)C)C3(C)C3(O)CC12CO3,C34H52O8,,588.366218624,DSTOROHYHNDBMG,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Lepista amara,207782.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Tricholomataceae'],['Unknown'],['Lepista'],['Lepista amara'],1,2,3.177195191383362 4927,9568,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.2724876,ISDB,DVYXBXNSRWHEAH-QDNFKKIJSA-N,"InChI=1S/C34H50O7/c1-18(16-35)19(2)29(39)30(41-23(6)37)21(4)28-26(40-22(5)36)15-32(8)27-10-9-24-20(3)25(38)11-12-33(24)17-34(27,33)14-13-31(28,32)7/h18,20-21,24,26-28,30,35H,2,9-17H2,1,3-8H3/t18-,20-,21-,24-,26-,27-,28-,30+,31+,32-,33+,34-/m0/s1",C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO,C34H50O7,,570.3556539399999,DVYXBXNSRWHEAH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],4,2,6.089950442314148 4928,9567,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5802997,ISDB,VWKXWHFAFDZMEM-VFODXRIRSA-N,"InChI=1S/C32H48O6/c1-17-15-19-24(27(5,6)36-18(2)33)38-32(37-19)23(17)28(7)13-14-31-16-30(31)12-11-22(34)26(3,4)20(30)9-10-21(31)29(28,8)25(32)35/h10,17,19-20,22-25,34-35H,9,11-16H2,1-8H3/t17-,19-,20+,22+,23-,24+,25-,28-,29-,30-,31+,32-/m1/s1",CC(=O)OC(C)(C)[C@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O,C32H48O6,,528.345089256,VWKXWHFAFDZMEM,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],4,2,7.3211987018585205 4929,9566,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.30376056,ISDB,BOSPWDGVNSGRFD-KLZLLWCWSA-N,"InChI=1S/C32H46O5/c1-17(2)18(3)27(35)28(36)20(5)26-24(37-21(6)33)15-30(8)25-10-9-22-19(4)23(34)11-12-31(22)16-32(25,31)14-13-29(26,30)7/h11-12,17,19-20,22,24-26,28,36H,3,9-10,13-16H2,1-2,4-8H3/t19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1",C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C,C32H46O5,,510.334524572,BOSPWDGVNSGRFD,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],4,2,6.215042233467102 4930,9565,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.46992356,ISDB,MRZDEOWEUAMNTO-ZKORMJMLSA-N,"InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8-9,20-22,31H,10-17H2,1-7H3,(H,33,34)/t20-,21-,22-,27+,28+,29-,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)C(=O)C[C@H](O)C(C)(C)[C@@H]2CC[C@]13C,C30H44O4,,468.323959888,MRZDEOWEUAMNTO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica cerifera,791123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella cerifera'],5,2,7.879694223403931 4931,9564,347,Terpenoids,Triterpenoids,Cholestane steroids,0.870744,ISDB,YUSDAIOPDKDIHW-JMHIKJOSSA-N,"InChI=1S/C30H42O3/c1-16(2)22-24(31)23-18-10-9-17(3)19-14-21-27(6,7)32-25(22)30(21)29(19,23)15-28(33-30)12-8-11-26(4,5)20(28)13-18/h9,16,18-21,23H,8,10-15H2,1-7H3/t18-,19-,20+,21+,23-,28+,29+,30+/m1/s1",CC1=CC[C@@H]2C[C@H]3C(C)(C)CCC[C@]34C[C@]35[C@@H]1C[C@H]1C(C)(C)OC(=C(C(C)C)C(=O)[C@@H]23)[C@@]15O4,C30H42O3,,450.313395204,YUSDAIOPDKDIHW,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia bucharica,448587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia bucharica'],4,1,7.982975959777832 4932,9563,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43445483,ISDB,WGXJWFWMLXWYDD-VGXMYUJSSA-N,"InChI=1S/C19H30O2/c1-14(12-20)6-8-16-15(2)7-9-17-18(3,13-21)10-5-11-19(16,17)4/h6,12,16-17,21H,2,5,7-11,13H2,1,3-4H3/b14-6+/t16-,17-,18-,19+/m0/s1",C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C/C=C(\C)C=O,C19H30O2,,290.2245802,WGXJWFWMLXWYDD,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Cunninghamia lanceolata,760790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cunninghamia'],['Cunninghamia lanceolata'],3,2,5.737819314002991 4933,9559,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4306138,ISDB,WGXJWFWMLXWYDD-VGXMYUJSSA-N,"InChI=1S/C19H30O2/c1-14(12-20)6-8-16-15(2)7-9-17-18(3,13-21)10-5-11-19(16,17)4/h6,12,16-17,21H,2,5,7-11,13H2,1,3-4H3/b14-6+/t16-,17-,18-,19+/m0/s1",C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C/C=C(\C)C=O,C19H30O2,,290.2245802,WGXJWFWMLXWYDD,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Cunninghamia lanceolata,760790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cunninghamia'],['Cunninghamia lanceolata'],3,2,5.722455143928528 4934,9558,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51153934,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.546157360076904 4935,9558,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51153934,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.546157360076904 4936,9557,371,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_2MNa,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4937,9557,371,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_2MNa,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 4938,9556,3163,Terpenoids,Steroids,Ergostane steroids,0.37131846,ISDB,LQQNFEWYWXJEBF-PJEBFGBISA-N,"InChI=1S/C35H54O8/c1-19(20(2)31(6,7)42-23(5)38)30(41-22(4)37)34(10)35(43-34)29(40-21(3)36)18-28-26-12-11-24-17-25(39)13-15-32(24,8)27(26)14-16-33(28,35)9/h19-20,24,26-30H,11-18H2,1-10H3/t19-,20-,24-,26+,27-,28-,29-,30+,32-,33-,34-,35-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]12O[C@@]2(C)[C@H](OC(C)=O)[C@@H](C)[C@H](C)C(C)(C)OC(C)=O,C35H54O8,,602.381868688,LQQNFEWYWXJEBF,Terpenoids,Steroids,Ergostane steroids,Isis hippuris,87416.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Isididae'],['Unknown'],['Isis'],['Isis hippuris'],1,3,3.985273838043213 4939,9555,888,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.22809292,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,9.412371695041656 4940,9554,198,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,pos_1_minus1proton2sodium,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 4941,9553,-1,,,,0.66644776,ISDB,YUGFYCIMJURNCC-RRPNLBNLSA-N,"InChI=1S/C30H24O9/c1-36-25-10-14(3-4-23(25)35)27-26(16-7-20(33)13-21(34)8-16)22-9-17-11-24(15-5-18(31)12-19(32)6-15)38-28(17)30(37-2)29(22)39-27/h3-13,26-27,31-35H,1-2H3/t26-,27+/m0/s1",COc1cc([C@H]2Oc3c(cc4cc(-c5cc(O)cc(O)c5)oc4c3OC)[C@@H]2c2cc(O)cc(O)c2)ccc1O,C30H24O9,,528.142032348,YUGFYCIMJURNCC,Shikimates and Phenylpropanoids,Stilbenoids,Oligomeric stibenes,Gnetum hainanense,116738.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Gnetales'],['Gnetaceae'],['Unknown'],['Gnetum'],['Gnetum hainanense'],3,0,5.665791034698486 4942,9551,-1,,,,0.0,MS1_match,PORPENFLTBBHSG-MGBGTMOVSA-N,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,C35H69O8P,pos_1_minus1proton1magnesium,648.473005798,PORPENFLTBBHSG,Fatty acids,Glycerophospholipids,Glycerophosphates,Amelanchier canadensis,45831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier canadensis'],6,0,6.0 4943,9551,-1,,,,0.0,MS1_match,PORPENFLTBBHSG-MGBGTMOVSA-N,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,C35H69O8P,pos_1_minus1proton1magnesium,648.473005798,PORPENFLTBBHSG,Fatty acids,Glycerophospholipids,Glycerophosphates,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 4944,9551,-1,,,,0.0,MS1_match,PORPENFLTBBHSG-MGBGTMOVSA-N,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,C35H69O8P,pos_1_minus1proton1magnesium,648.473005798,PORPENFLTBBHSG,Fatty acids,Glycerophospholipids,Glycerophosphates,Amelanchier canadensis,45831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier canadensis'],6,0,6.0 4945,9551,-1,,,,0.0,MS1_match,PORPENFLTBBHSG-MGBGTMOVSA-N,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,C35H69O8P,pos_1_minus1proton1magnesium,648.473005798,PORPENFLTBBHSG,Fatty acids,Glycerophospholipids,Glycerophosphates,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 4946,9550,1184,Terpenoids,Diterpenoids,Gibberellins,0.82683784,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.807351350784302 4947,9550,1184,Terpenoids,Diterpenoids,Gibberellins,0.82683784,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,9.807351350784302 4948,9549,-1,,,,0.0,MS1_match,HXZWRWDSAJYAQI-UHFFFAOYSA-N,"InChI=1S/C34H48O10/c1-8-10-11-12-13-14-15-16-30(38)42-25-18-26-31(40-23(5)35)43-32(41-24(6)36)34(26)28(19-25)33(7,22(4)17-29(34)37)20-27(44-39)21(3)9-2/h9,13-16,18,22,25,27-29,31-32,37,39H,2-3,8,10-12,17,19-20H2,1,4-7H3",C=CC(=C)C(CC1(C)C(C)CC(O)C23C(=CC(OC(=O)C=CC=CCCCCC)CC12)C(OC(C)=O)OC3OC(C)=O)OO,C34H48O10,pos_1_1proton2acetonitrile,616.3247477359998,HXZWRWDSAJYAQI,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Karpatiosorbus latifolia,582999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus latifolia'],6,0,6.0 4949,9549,-1,,,,0.0,MS1_match,HXZWRWDSAJYAQI-UHFFFAOYSA-N,"InChI=1S/C34H48O10/c1-8-10-11-12-13-14-15-16-30(38)42-25-18-26-31(40-23(5)35)43-32(41-24(6)36)34(26)28(19-25)33(7,22(4)17-29(34)37)20-27(44-39)21(3)9-2/h9,13-16,18,22,25,27-29,31-32,37,39H,2-3,8,10-12,17,19-20H2,1,4-7H3",C=CC(=C)C(CC1(C)C(C)CC(O)C23C(=CC(OC(=O)C=CC=CCCCCC)CC12)C(OC(C)=O)OC3OC(C)=O)OO,C34H48O10,pos_1_1proton2acetonitrile,616.3247477359998,HXZWRWDSAJYAQI,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Karpatiosorbus latifolia,582999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus latifolia'],6,0,6.0 4950,9545,-1,,,,0.4053196,ISDB,ZTCHPQNUISFMBP-DYUSRDENSA-N,"InChI=1S/C23H39NO6/c1-12-6-7-15-16(12)8-23(4,5)9-17(15)13(2)11-29-22-19(24-14(3)26)21(28)20(27)18(10-25)30-22/h12,15-16,18-22,25,27-28H,6-11H2,1-5H3,(H,24,26)/b17-13+/t12?,15?,16?,18-,19-,20-,21-,22+/m1/s1",CC(=O)N[C@H]1[C@@H](OC/C(C)=C2\CC(C)(C)CC3C(C)CCC23)O[C@H](CO)[C@@H](O)[C@@H]1O,C23H39NO6,,425.277737968,ZTCHPQNUISFMBP,Terpenoids,Sesquiterpenoids,,Inonotus sideroides,3807473.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Hymenochaetales'],['Hymenochaetaceae'],['Unknown'],['Inonotus'],['Inonotus sideroides'],1,0,2.621278405189514 4951,9543,798,Fatty acids,Fatty acyls,Fatty alcohols,0.3207115,ISDB,ODOHBJISRZXRAM-ALCCZGGFSA-N,"InChI=1S/C21H30/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5,7H,6,8-14,16,18-21H2/b7-5-",C#C/C=C\CCCC#CCCCCCCCCCCC#C,C21H30,,282.23475096,ODOHBJISRZXRAM,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.782845973968506 4952,9542,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8198306,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.279322385787964 4953,9542,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8198306,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.279322385787964 4954,9537,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47937453,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.417498111724854 4955,9537,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47937453,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.417498111724854 4956,9536,1794,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,0.6056874,ISDB,IVGYNKMUKVTWBT-ZNABNZNXSA-N,"InChI=1S/C30H48/c1-20(2)21-11-13-28(6)22(21)12-14-30(8)25(28)10-9-23-24-19-26(3,4)15-16-27(24,5)17-18-29(23,30)7/h9,12,20-21,24-25H,10-11,13-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C,C30H48,,408.375601536,IVGYNKMUKVTWBT,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,7.9227495193481445 4957,9531,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.55477035,ISDB,QUKRUZLNSQPNGI-UHFFFAOYSA-N,"InChI=1S/C24H26O8/c1-10-18(27)16(11(2)25)20(29)14(22(10)31-6)9-15-21(30)17(12(3)26)19(28)13-7-8-24(4,5)32-23(13)15/h7-8,27-30H,9H2,1-6H3",COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c2c1OC(C)(C)C=C2,C24H26O8,,442.16276779199984,QUKRUZLNSQPNGI,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],3,3,6.719081401824951 4958,9528,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.3549827,ISDB,NMPXPNSCHDVDQB-LGCLYOADSA-N,"InChI=1S/C17H30O13/c1-4-7(18)10(21)13(24)16(27-4)30-14-11(22)8(19)5(2)28-17(14)26-3-6-9(20)12(23)15(25)29-6/h4-25H,3H2,1-2H3/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15-,16-,17+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](OC[C@@H]3O[C@H](O)[C@H](O)[C@H]3O)O[C@@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C17H30O13,,442.16864102,NMPXPNSCHDVDQB,Carbohydrates,Saccharides,Disaccharides,Aegle marmelos,490374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Aegle'],['Aegle marmelos'],3,0,4.419930815696716 4959,9523,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.30205882,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,5.708235263824463 4960,9522,-1,,,,0.546819,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.1872758865356445 4961,9522,-1,,,,0.546819,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.1872758865356445 4962,9516,557,Amino acids and Peptides,Small peptides,Dipeptides,0.591066,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.864264011383057 4963,9514,374,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,0.7509497,ISDB,CFEBVBFXLFAFIO-POQQGIQPSA-N,"InChI=1S/C14H22/c1-10-3-4-13-12(10)9-11-5-7-14(13,2)8-6-11/h5,7,10-13H,3-4,6,8-9H2,1-2H3/t10-,11-,12-,13+,14+/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1C[C@@H]1C=C[C@@]2(C)CC1,C14H22,,190.172150704,CFEBVBFXLFAFIO,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,3,8.503798723220825 4964,9513,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5988568,ISDB,NKKMPIXWEPUSCG-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h7H,2-6H2,1H3",CCCC(=O)CCCC=O,C8H14O2,,142.099379688,NKKMPIXWEPUSCG,Fatty acids,Fatty acyls,Fatty aldehydes,Sarracenia flava,639946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sarraceniaceae'],['Unknown'],['Sarracenia'],['Sarracenia flava'],4,0,6.395427227020264 4965,9512,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.25518072,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,5.52072286605835 4966,9506,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_3_1proton2sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 4967,9506,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_3_1proton2sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 4968,9504,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 4969,9504,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 4970,9504,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 4971,9504,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 4972,9504,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 4973,9501,1362,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4974,9501,1362,Terpenoids,Triterpenoids,Lupane triterpenoids,0.0,MS1_match,QGJZLNKBHJESQX-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,C30H48O3,pos_1_1sodium,456.3603453959999,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 4975,9500,1930,Fatty acids,Fatty amides,N-acyl amines,0.22785276,ISDB,PZHSASCBYIIZLV-UHFFFAOYSA-N,"InChI=1S/C25H40N2O2/c28-20-14-10-8-6-4-2-1-3-5-7-9-11-17-25(29)26-19-18-22-21-27-24-16-13-12-15-23(22)24/h12-13,15-16,21,27-28H,1-11,14,17-20H2,(H,26,29)",O=C(CCCCCCCCCCCCCCO)NCCc1c[nH]c2ccccc12,C25H40N2O2,,400.3089785199999,PZHSASCBYIIZLV,Fatty acids,Fatty amides,N-acyl amines,Annonaceae,98426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Unknown'],['Unknown'],4,3,6.4114110469818115 4976,9499,369,Polyketides,Meroterpenoids,Cannabinoids,0.62608355,ISDB,YZGCYNMNFASAOK-UHFFFAOYSA-N,"InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)19-16-11-14(2)9-10-17(16)21(3,4)26-22(19,13-15)20(24)25/h9-12,16-17,23H,5-8,13H2,1-4H3,(H,24,25)",CCCCCC1=CC(O)=C2C3C=C(C)C=CC3C(C)(C)OC2(C(=O)O)C1,C22H30O4,,358.21440944,YZGCYNMNFASAOK,Polyketides,Meroterpenoids,Cannabinoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,3,9.004334211349487 4977,9496,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33041704,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.8216681480407715 4978,9496,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33041704,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.8216681480407715 4979,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-BBEQLWDVSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1ethylamine,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 4980,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1ethylamine,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 4981,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1ethylamine,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 4982,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KGDLSCYYZVWTEV-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C,C36H56O9,pos_1_1proton1ethylamine,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 4983,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KGDLSCYYZVWTEV-WNFJHCJXSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C2[C@H]1C)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]2CC[C@]13C,C36H56O9,pos_1_1proton1ethylamine,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 4984,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,GWYQGWNTTYSJEW-WAZFAAFDSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O9,pos_1_1proton1ethylamine,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 4985,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,GWYQGWNTTYSJEW-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3",CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1,C36H56O9,pos_1_1proton1ethylamine,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 4986,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1ethylamine,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 4987,9492,1506,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_1proton1ethylamine,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 4988,9491,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_1_minus1proton1magnesium,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa villosa,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,1,6.5 4989,9491,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,DJOWTWWHMWQATC-XWQDSZIKSA-N,"InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1,C40H58O4,pos_1_minus1proton1magnesium,602.433510336,DJOWTWWHMWQATC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa pomifera,1091505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa villosa'],6,1,6.5 4990,9490,1362,Terpenoids,Triterpenoids,Lupane triterpenoids,0.47411588,ISDB,,,,,,,CEKIFRQTNCLAOR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8964635133743286 4991,9489,1930,Fatty acids,Fatty amides,N-acyl amines,0.22716354,ISDB,PZHSASCBYIIZLV-UHFFFAOYSA-N,"InChI=1S/C25H40N2O2/c28-20-14-10-8-6-4-2-1-3-5-7-9-11-17-25(29)26-19-18-22-21-27-24-16-13-12-15-23(22)24/h12-13,15-16,21,27-28H,1-11,14,17-20H2,(H,26,29)",O=C(CCCCCCCCCCCCCCO)NCCc1c[nH]c2ccccc12,C25H40N2O2,,400.3089785199999,PZHSASCBYIIZLV,Fatty acids,Fatty amides,N-acyl amines,Annonaceae,98426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Unknown'],['Unknown'],4,3,6.408654153347015 4992,9485,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6790547,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.216218709945679 4993,9484,371,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_2MNa,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 4994,9483,2762,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.23637362,ISDB,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,9.4454944729805 4995,9482,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.22071107,ISDB,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.882844269275665 4996,9481,-1,,,,0.51338214,ISDB,MFLORYHKYXIQMH-PZJWPPBQSA-N,"InChI=1S/C21H32O/c1-14(2)16-12-15-8-9-19-20(3,4)10-7-11-21(19,5)17(15)13-18(16)22-6/h12-14,19H,7-11H2,1-6H3/t19-,21+/m0/s1",COc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C,C21H32O,,300.245315644,MFLORYHKYXIQMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Premna serratifolia,441841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Premna'],['Premna serratifolia'],4,0,6.053528547286987 4997,9481,-1,,,,0.51338214,ISDB,MFLORYHKYXIQMH-PZJWPPBQSA-N,"InChI=1S/C21H32O/c1-14(2)16-12-15-8-9-19-20(3,4)10-7-11-21(19,5)17(15)13-18(16)22-6/h12-14,19H,7-11H2,1-6H3/t19-,21+/m0/s1",COc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C,C21H32O,,300.245315644,MFLORYHKYXIQMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia bracteata,6083041.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia bracteata'],4,0,6.053528547286987 4998,9477,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.52876,ISDB,QUKRUZLNSQPNGI-UHFFFAOYSA-N,"InChI=1S/C24H26O8/c1-10-18(27)16(11(2)25)20(29)14(22(10)31-6)9-15-21(30)17(12(3)26)19(28)13-7-8-24(4,5)32-23(13)15/h7-8,27-30H,9H2,1-6H3",COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c2c1OC(C)(C)C=C2,C24H26O8,,442.16276779199984,QUKRUZLNSQPNGI,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],3,3,6.615040063858032 4999,9476,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.0,MS1_match,SKZKDRKVEQOQIT-ILWGZMRPSA-N,"InChI=1S/C22H32O3/c1-15(24)25-20(2,3)17-8-9-18-16(13-17)7-10-19-21(4,14-23)11-6-12-22(18,19)5/h8-9,13,19,23H,6-7,10-12,14H2,1-5H3/t19-,21-,22+/m0/s1",CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C22H32O3,pos_1_1proton,344.235144884,SKZKDRKVEQOQIT,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],6,2,7.0 5000,9473,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5845588,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.838235139846802 5001,9472,335,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 5002,9471,413,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5920342,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,3,9.868136882781982 5003,9470,1213,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.48853967,ISDB,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.454158663749695 5004,9468,-1,,,,0.5728303,ISDB,WDMZJJWHBHUUCS-DPBPPFMOSA-N,"InChI=1S/C29H46O5/c1-17-8-11-29(24(33)34)13-12-27(4)18(19(29)14-17)6-7-22-25(2)15-20(31)23(32)26(3,16-30)21(25)9-10-28(22,27)5/h6,17,19-23,30-32H,7-16H2,1-5H3,(H,33,34)/t17-,19+,20-,21-,22-,23+,25+,26+,27-,28-,29+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C29H46O5,,474.3345245719999,WDMZJJWHBHUUCS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sapium haematospermum,555782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Sapium'],['Sapium haematospermum'],3,0,5.291321277618408 5005,9466,404,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.61727643,ISDB,VSNNVRFWSAHGLN-JTQLQIEISA-N,"InChI=1S/C12H20N2O3/c1-8(2)10-6-13(7-11(15)9(3)4)12(16)14(10)17-5/h9-10H,1,6-7H2,2-5H3/t10-/m0/s1",C=C(C)[C@@H]1CN(CC(=O)C(C)C)C(=O)N1OC,C12H20N2O3,,240.1473925,VSNNVRFWSAHGLN,Amino acids and Peptides,,,Alchornea floribunda,3911523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Alchorneae'],['Alchornea'],['Alchornea floribunda'],4,0,6.4691057205200195 5006,9464,255,Terpenoids,Triterpenoids,Ergostane steroids,0.3510712,ISDB,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],3,3,5.904284834861755 5007,9463,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.27779648,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,6.611185908317566 5008,9463,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.27779648,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,6.611185908317566 5009,9463,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.27779648,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,3,6.611185908317566 5010,9460,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.5838455,ISDB,KZYXNKRMNALLBY-CBPXPLCBSA-N,"InChI=1S/C22H32O3/c1-5-24-20-22-10-6-9-21(4,13-25-20)19(22)8-7-15-11-16(14(2)3)18(23)12-17(15)22/h11-12,14,19-20,23H,5-10,13H2,1-4H3/t19-,20+,21+,22-/m0/s1",CCO[C@@H]1OC[C@@]2(C)CCC[C@@]13c1cc(O)c(C(C)C)cc1CC[C@@H]23,C22H32O3,,344.235144884,KZYXNKRMNALLBY,Terpenoids,Diterpenoids,Abietane diterpenoids,Fraxinus sieboldiana,358547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus sieboldiana'],3,2,6.335381984710693 5011,9459,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5078516,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.531406402587891 5012,9458,-1,,,,0.5578072,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.231228828430176 5013,9457,374,Terpenoids,Sesquiterpenoids,Rotundane sesquiterpenoids,0.7456832,ISDB,OMBHIYUCAYGDGT-PDWCTOEPSA-N,"InChI=1S/C14H22/c1-10-4-9-14-11(2)5-7-13(14,3)8-6-12(10)14/h5,7,10-12H,4,6,8-9H2,1-3H3/t10-,11-,12+,13-,14+/m0/s1",C[C@H]1CC[C@@]23[C@@H]1CC[C@]2(C)C=C[C@@H]3C,C14H22,,190.172150704,OMBHIYUCAYGDGT,Terpenoids,Sesquiterpenoids,Silphiperfolane sesquiterpenoids,Calea pilosa,7606941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea pilosa'],4,2,7.982732772827148 5014,9455,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.35250944,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.9100377559661865 5015,9454,255,Terpenoids,Triterpenoids,Ergostane steroids,0.33923993,ISDB,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],3,3,5.856959700584412 5016,9451,-1,,,,0.79949397,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.1979758739471436 5017,9450,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40108478,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.104339122772217 5018,9449,215,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.58214384,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.828575372695923 5019,9447,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.27510384,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,6.600415349006653 5020,9447,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.27510384,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,6.600415349006653 5021,9447,984,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.27510384,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,3,6.600415349006653 5022,9445,255,Terpenoids,Triterpenoids,Ergostane steroids,0.63118094,ISDB,XIOIYRAFJRKQEJ-ZVYCQVFISA-N,"InChI=1S/C28H36O4/c1-14-11-21-27(5)10-9-26(4)18(8-7-17-16(3)24(31)20(29)12-19(17)26)22(27)15(2)13-28(21,6)25(32)23(14)30/h7-8,12,14,21,23,25,30-32H,9-11,13H2,1-6H3/t14-,21-,23+,25+,26+,27-,28+/m0/s1",CC1=C2C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@H](C)[C@@H](O)[C@@H](O)[C@]2(C)C1,C28H36O4,,436.261359632,XIOIYRAFJRKQEJ,Terpenoids,Triterpenoids,,Elaeodendron balae,6092544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron balae'],3,2,6.524723768234253 5023,9444,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36563683,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.962547302246094 5024,9444,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36563683,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.962547302246094 5025,9440,-1,,,,0.29401225,ISDB,UIYKJWQTWIRMPB-PSCMTAGVSA-N,"InChI=1S/C36H49NO7/c1-20(29-18-34(6)32(3,4)43-36(42-29,44-34)22-9-8-14-37-19-22)25-10-11-26-31-27(12-13-33(25,26)5)35(7)23(16-28(31)40)15-24(39)17-30(35)41-21(2)38/h8-9,14-15,19-20,25-31,40H,10-13,16-18H2,1-7H3/t20-,25+,26-,27-,28+,29+,30-,31-,33+,34+,35-,36-/m0/s1",CC(=O)O[C@H]1CC(=O)C=C2C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5C[C@@]6(C)O[C@@](c7cccnc7)(O5)OC6(C)C)[C@@]4(C)CC[C@@H]3[C@]21C,C36H49NO7,,607.350902908,UIYKJWQTWIRMPB,Terpenoids,Steroids,Ergostane steroids,Petunia inflata,835776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],4,0,5.176048994064331 5026,9433,413,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.54982704,ISDB,MUCRYNWJQNHDJH-OADIDDRXSA-N,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O3,,454.344695332,MUCRYNWJQNHDJH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum aleppicum,77545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum aleppicum'],6,3,9.699308156967163 5027,9433,413,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.54982704,ISDB,MUCRYNWJQNHDJH-OADIDDRXSA-N,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O3,,454.344695332,MUCRYNWJQNHDJH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,3,9.699308156967163 5028,9433,413,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.54982704,ISDB,MUCRYNWJQNHDJH-OADIDDRXSA-N,"InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H46O3,,454.344695332,MUCRYNWJQNHDJH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,3,9.699308156967163 5029,9432,544,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6122405,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.948961973190308 5030,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5031,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5032,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5033,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5034,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 5035,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 5036,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5037,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5038,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5039,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5040,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5041,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5042,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5043,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5044,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5045,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5046,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5047,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5048,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5049,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5050,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 5051,9430,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_2MNa,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 5052,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5053,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5054,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5055,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 5056,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 5057,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5058,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5059,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 5060,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5061,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5062,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5063,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5064,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5065,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5066,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5067,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 5068,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 5069,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5070,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 5071,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5072,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 5073,9429,436,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium1acetonitrile,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5074,9428,-1,,,,0.54366475,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.174659013748169 5075,9428,-1,,,,0.54366475,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,9.174659013748169 5076,9428,-1,,,,0.54366475,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.174659013748169 5077,9428,-1,,,,0.54366475,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,9.174659013748169 5078,9428,-1,,,,0.54366475,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.174659013748169 5079,9424,1614,Terpenoids,Steroids,Androstane steroids,0.72287065,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.391482591629028 5080,9423,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,PWYIITFCWUJCMR-DDZXFPHNSA-N,"InChI=1S/C21H32O4/c1-14(12-20(23)24)7-9-18-15(2)8-10-19-17(13-25-16(3)22)6-5-11-21(18,19)4/h12,17-19H,2,5-11,13H2,1,3-4H3,(H,23,24)/b14-12+/t17-,18+,19+,21-/m1/s1",C=C1CC[C@H]2[C@@H](COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C21H32O4,pos_1_1proton1ethylamine,348.23005950399994,PWYIITFCWUJCMR,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,2,7.0 5081,9423,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,LODVZNAZFNRTCG-AHHRBRNESA-N,"InChI=1S/C23H36O4/c1-15(14-21(25)26-7)8-10-18-16(2)9-11-19-22(4,5)20(27-17(3)24)12-13-23(18,19)6/h14,18-20H,2,8-13H2,1,3-7H3/b15-14+/t18-,19-,20-,23+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC,C23H36O4,pos_1_1proton1ammonium,376.261359632,LODVZNAZFNRTCG,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,2,7.0 5082,9423,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,AORYFYLFZDBOMS-AKEOPSGXSA-N,"InChI=1S/C23H36O4/c1-16(12-15-27-18(3)24)8-10-19-17(2)9-11-20-22(19,4)13-7-14-23(20,5)21(25)26-6/h12,19-20H,2,7-11,13-15H2,1,3-6H3/b16-12+/t19-,20+,22+,23-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/COC(C)=O,C23H36O4,pos_1_1proton1ammonium,376.261359632,AORYFYLFZDBOMS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,2,7.0 5083,9423,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,KMEQUVNVNHTHSM-FAWMQMBESA-N,"InChI=1S/C23H36O4/c1-16(14-21(25)26-6)8-10-19-17(2)9-11-20-22(4,15-27-18(3)24)12-7-13-23(19,20)5/h14,19-20H,2,7-13,15H2,1,3-6H3/b16-14+/t19-,20-,22-,23+/m0/s1",C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC,C23H36O4,pos_1_1proton1ammonium,376.261359632,KMEQUVNVNHTHSM,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,7.0 5084,9422,1986,Alkaloids,Ornithine alkaloids,Polyamines,0.22722079,ISDB,GHSPELNMZURBHZ-SFHVURJKSA-N,"InChI=1S/C19H29N3O2/c1-16(23)20-11-6-7-13-22-14-8-12-21(2)18(15-19(22)24)17-9-4-3-5-10-17/h3-5,9-10,18H,6-8,11-15H2,1-2H3,(H,20,23)/t18-/m0/s1",CC(=O)NCCCCN1CCCN(C)[C@H](c2ccccc2)CC1=O,C19H29N3O2,,331.225977168,GHSPELNMZURBHZ,Alkaloids,Ornithine alkaloids,Polyamines,Dovyalis abyssinica,3915223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Flacourtieae'],['Dovyalis'],['Dovyalis abyssinica'],3,3,5.408883154392242 5085,9422,1986,Alkaloids,Ornithine alkaloids,Polyamines,0.22722079,ISDB,GHSPELNMZURBHZ-SFHVURJKSA-N,"InChI=1S/C19H29N3O2/c1-16(23)20-11-6-7-13-22-14-8-12-21(2)18(15-19(22)24)17-9-4-3-5-10-17/h3-5,9-10,18H,6-8,11-15H2,1-2H3,(H,20,23)/t18-/m0/s1",CC(=O)NCCCCN1CCCN(C)[C@H](c2ccccc2)CC1=O,C19H29N3O2,,331.225977168,GHSPELNMZURBHZ,Alkaloids,Ornithine alkaloids,Polyamines,Dovyalis macrocalyx,503966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Flacourtieae'],['Dovyalis'],['Dovyalis macrocalyx'],3,3,5.408883154392242 5086,9421,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47254795,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.390191793441772 5087,9419,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4944011,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.477604389190674 5088,9418,1986,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MCH3CNNa,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 5089,9417,-1,,,,0.3061672,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,8.224668741226196 5090,9416,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,FZMONKRUPXQHKO-HDKDJTITSA-N,"InChI=1S/C19H28O4/c1-11-5-7-13-12(15(11)16(20)21)6-8-14-18(13,2)9-4-10-19(14,3)17(22)23/h11,13-14H,4-10H2,1-3H3,(H,20,21)(H,22,23)/t11-,13-,14+,18+,19+/m0/s1",C[C@H]1CC[C@H]2C(=C1C(=O)O)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C19H28O4,pos_1_1proton1ethylamine,320.19875937599994,FZMONKRUPXQHKO,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,7.0 5091,9416,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_1proton1ethylamine,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,2,7.0 5092,9416,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_1proton1ethylamine,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,2,7.0 5093,9416,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,PWYIITFCWUJCMR-DDZXFPHNSA-N,"InChI=1S/C21H32O4/c1-14(12-20(23)24)7-9-18-15(2)8-10-19-17(13-25-16(3)22)6-5-11-21(18,19)4/h12,17-19H,2,5-11,13H2,1,3-4H3,(H,23,24)/b14-12+/t17-,18+,19+,21-/m1/s1",C=C1CC[C@H]2[C@@H](COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C21H32O4,pos_1_1proton1ammonium,348.23005950399994,PWYIITFCWUJCMR,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,2,7.0 5094,9415,1614,Terpenoids,Steroids,Androstane steroids,0.7435116,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.474046468734741 5095,9414,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6607022,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6428089141845703 5096,9413,1986,Alkaloids,Ornithine alkaloids,Polyamines,0.2358754,ISDB,GHSPELNMZURBHZ-SFHVURJKSA-N,"InChI=1S/C19H29N3O2/c1-16(23)20-11-6-7-13-22-14-8-12-21(2)18(15-19(22)24)17-9-4-3-5-10-17/h3-5,9-10,18H,6-8,11-15H2,1-2H3,(H,20,23)/t18-/m0/s1",CC(=O)NCCCCN1CCCN(C)[C@H](c2ccccc2)CC1=O,C19H29N3O2,,331.225977168,GHSPELNMZURBHZ,Alkaloids,Ornithine alkaloids,Polyamines,Dovyalis abyssinica,3915223.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Flacourtieae'],['Dovyalis'],['Dovyalis abyssinica'],3,3,5.443501591682434 5097,9413,1986,Alkaloids,Ornithine alkaloids,Polyamines,0.2358754,ISDB,GHSPELNMZURBHZ-SFHVURJKSA-N,"InChI=1S/C19H29N3O2/c1-16(23)20-11-6-7-13-22-14-8-12-21(2)18(15-19(22)24)17-9-4-3-5-10-17/h3-5,9-10,18H,6-8,11-15H2,1-2H3,(H,20,23)/t18-/m0/s1",CC(=O)NCCCCN1CCCN(C)[C@H](c2ccccc2)CC1=O,C19H29N3O2,,331.225977168,GHSPELNMZURBHZ,Alkaloids,Ornithine alkaloids,Polyamines,Dovyalis macrocalyx,503966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Flacourtieae'],['Dovyalis'],['Dovyalis macrocalyx'],3,3,5.443501591682434 5098,9412,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48643422,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.4457368850708 5099,9412,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48643422,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.4457368850708 5100,9412,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48643422,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.4457368850708 5101,9412,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48643422,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.4457368850708 5102,9412,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48643422,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.4457368850708 5103,9412,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48643422,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.4457368850708 5104,9412,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48643422,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],5,3,8.4457368850708 5105,9411,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.46342707,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.353708267211914 5106,9410,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6600685,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6402740478515625 5107,9409,1054,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5446287,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,6.678514719009399 5108,9408,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4760709,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.40428364276886 5109,9408,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4760709,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.40428364276886 5110,9408,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4760709,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.40428364276886 5111,9408,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4760709,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.40428364276886 5112,9408,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4760709,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.40428364276886 5113,9408,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4760709,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.40428364276886 5114,9408,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4760709,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],5,3,8.40428364276886 5115,9407,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51705986,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.568239450454712 5116,9407,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51705986,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.568239450454712 5117,9407,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51705986,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.568239450454712 5118,9407,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51705986,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.568239450454712 5119,9407,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51705986,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.568239450454712 5120,9406,1119,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7063832,ISDB,LFJSDOPRELEYLN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-7-11(12-4)9(10)3/h5-7H,1H2,2-4H3",C=C(C)c1cccc(OC)c1C,C11H14O,,162.104465068,LFJSDOPRELEYLN,Terpenoids,,,Piqueria trinervia,1007567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Piqueria'],['Piqueria trinervia'],3,1,6.325532913208008 5121,9403,863,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.7054927,ISDB,YAMVHWVYHOZWMH-FSVVYOEGSA-N,"InChI=1S/C32H48O5/c1-17-9-14-31-16-15-30(8)29(7)13-10-20-27(4,5)21(35-19(3)33)11-12-28(20,6)24(29)22-25(36-22)32(30,37-26(31)34)23(31)18(17)2/h17-18,20-25H,9-16H2,1-8H3/t17-,18+,20+,21+,22+,23-,24-,25+,28+,29-,30+,31+,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,,512.350174636,YAMVHWVYHOZWMH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bursera penicillata,841958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera penicillata'],4,3,8.321970701217651 5122,9403,863,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.7054927,ISDB,YAMVHWVYHOZWMH-FSVVYOEGSA-N,"InChI=1S/C32H48O5/c1-17-9-14-31-16-15-30(8)29(7)13-10-20-27(4,5)21(35-19(3)33)11-12-28(20,6)24(29)22-25(36-22)32(30,37-26(31)34)23(31)18(17)2/h17-18,20-25H,9-16H2,1-8H3/t17-,18+,20+,21+,22+,23-,24-,25+,28+,29-,30+,31+,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,,512.350174636,YAMVHWVYHOZWMH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Bursera linanoe,921722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera linanoe'],4,3,8.321970701217651 5123,9402,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YZDQDCHESVQFNC-PQBXVMOBSA-N,"InChI=1S/C39H54O6/c1-23-12-17-39(34(43)44)19-18-37(6)28(33(39)24(23)2)9-10-30-36(5)15-14-31(35(3,4)29(36)13-16-38(30,37)7)45-32(42)11-8-25-20-26(40)22-27(41)21-25/h8-9,11,20-24,29-31,33,40-41H,10,12-19H2,1-7H3,(H,43,44)/b11-8+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6cc(O)cc(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H54O6,pos_1_minus1proton1calcium,618.392039448,YZDQDCHESVQFNC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,3,7.5 5124,9397,363,Fatty acids,Fatty amides,Primary amides,0.37568513,ISDB,ZMLQVXILYPDTDA-UHFFFAOYSA-N,"InChI=1S/C15H31NO/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H2,16,17)",CC(C)CCCCCCCCCCCC(N)=O,C15H31NO,,241.240564612,ZMLQVXILYPDTDA,Fatty acids,Fatty amides,Primary amides,Bacillus pumilus,37567.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Bacillaceae'],['Unknown'],['Bacillus'],['Bacillus pumilus'],0,3,3.002740502357483 5125,9392,2246,Terpenoids,Triterpenoids,Lupane triterpenoids,0.47816676,ISDB,XWDCWGUIUXQKTB-OTKSRTPSSA-N,"InChI=1S/C22H30O3/c1-18(2)14-11-17(25)20(4)13(19(14,3)8-6-15(18)23)5-9-21-12-22(20,21)10-7-16(21)24/h6,8,13-14,17,25H,5,7,9-12H2,1-4H3/t13-,14+,17-,19-,20+,21-,22-/m1/s1",CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]45C[C@]4(CCC5=O)[C@]3(C)[C@H](O)C[C@@H]12,C22H30O3,,342.21949482,XWDCWGUIUXQKTB,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Ailanthus triphysa,908289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Ailanthus'],['Ailanthus triphysa'],3,2,5.9126670360565186 5126,9389,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.60960054,ISDB,ISHVJVXYPLFKAL-UHFFFAOYSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3",CC(C)c1ccc2c(c1)C(=O)CC1C(C)(C)CCCC21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,10.93840217590332 5127,9388,2593,Terpenoids,Triterpenoids,Glutinane triterpenoids,0.6189101,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,3,9.975640296936035 5128,9386,-1,,,,0.29244983,ISDB,BVWTXUYLKBHMOX-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3",COC(=O)c1ccc(O)c(OC)c1,C9H10O4,,182.0579088,BVWTXUYLKBHMOX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,6.169799327850342 5129,9384,255,Terpenoids,Triterpenoids,Ergostane steroids,0.22510137,ISDB,HWTADBLONBIKPB-DLYACJOKSA-N,"InChI=1S/C28H40O5/c1-16(2)17(3)7-8-18(4)19-9-10-27(32)21-15-20(29)22-25(6)11-13-26(22,31)23(30)33-28(21,25)14-12-24(19,27)5/h7-8,15-19,22,31-32H,9-14H2,1-6H3/b8-7+/t17-,18+,19+,22-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4[C@@]5(O)CC[C@]4(C)[C@]3(CC[C@]12C)OC5=O,C28H40O5,,456.28757438,HWTADBLONBIKPB,Terpenoids,Steroids,Ergostane steroids,Lasiodiplodia pseudotheobromae,854380.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Botryosphaeriales'],['Botryosphaeriaceae'],['Unknown'],['Lasiodiplodia'],['Lasiodiplodia pseudotheobromae'],1,3,3.400405466556549 5130,9383,255,Terpenoids,Triterpenoids,Ergostane steroids,0.28845683,ISDB,XMNAPEWXZUEFBD-SBKKQPCTSA-N,"InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22+,23-,24-,25-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,,438.277009696,XMNAPEWXZUEFBD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],3,3,5.6538273096084595 5131,9380,255,Terpenoids,Triterpenoids,Ergostane steroids,0.31566042,ISDB,XMNAPEWXZUEFBD-SBKKQPCTSA-N,"InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22+,23-,24-,25-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O4,,438.277009696,XMNAPEWXZUEFBD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],3,3,5.762641668319702 5132,9379,255,Terpenoids,Triterpenoids,Ergostane steroids,0.22876924,ISDB,HWTADBLONBIKPB-DLYACJOKSA-N,"InChI=1S/C28H40O5/c1-16(2)17(3)7-8-18(4)19-9-10-27(32)21-15-20(29)22-25(6)11-13-26(22,31)23(30)33-28(21,25)14-12-24(19,27)5/h7-8,15-19,22,31-32H,9-14H2,1-6H3/b8-7+/t17-,18+,19+,22-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4[C@@]5(O)CC[C@]4(C)[C@]3(CC[C@]12C)OC5=O,C28H40O5,,456.28757438,HWTADBLONBIKPB,Terpenoids,Steroids,Ergostane steroids,Lasiodiplodia pseudotheobromae,854380.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Botryosphaeriales'],['Botryosphaeriaceae'],['Unknown'],['Lasiodiplodia'],['Lasiodiplodia pseudotheobromae'],1,3,3.415076971054077 5133,9378,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.66215146,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6486058235168457 5134,9374,544,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6052752,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.921100854873657 5135,9371,-1,,,,0.77974164,ISDB,DLXIQKGNIITZEK-UHFFFAOYSA-N,"InChI=1S/C12H14O4/c1-4-5-8-9(13-2)6-10-12(11(8)14-3)16-7-15-10/h4,6H,1,5,7H2,2-3H3",C=CCc1c(OC)cc2c(c1OC)OCO2,C12H14O4,,222.089208928,DLXIQKGNIITZEK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Codonopsis cordifolioidea,3893808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Codonopsis'],['Codonopsis cordifolioidea'],3,0,6.118966579437256 5136,9371,-1,,,,0.77974164,ISDB,DLXIQKGNIITZEK-UHFFFAOYSA-N,"InChI=1S/C12H14O4/c1-4-5-8-9(13-2)6-10-12(11(8)14-3)16-7-15-10/h4,6H,1,5,7H2,2-3H3",C=CCc1c(OC)cc2c(c1OC)OCO2,C12H14O4,,222.089208928,DLXIQKGNIITZEK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper marginatum,147496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper marginatum'],3,0,6.118966579437256 5137,9371,-1,,,,0.77974164,ISDB,DLXIQKGNIITZEK-UHFFFAOYSA-N,"InChI=1S/C12H14O4/c1-4-5-8-9(13-2)6-10-12(11(8)14-3)16-7-15-10/h4,6H,1,5,7H2,2-3H3",C=CCc1c(OC)cc2c(c1OC)OCO2,C12H14O4,,222.089208928,DLXIQKGNIITZEK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],3,0,6.118966579437256 5138,9370,-1,,,,0.2968163,ISDB,BVWTXUYLKBHMOX-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3",COC(=O)c1ccc(O)c(OC)c1,C9H10O4,,182.0579088,BVWTXUYLKBHMOX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,6.187265157699585 5139,9369,2408,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43883666,ISDB,ISHVJVXYPLFKAL-AZUAARDMSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.255346655845642 5140,9366,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.51359963,ISDB,VHACFTUFOBCYNP-CDNXHFHWSA-N,"InChI=1S/C27H48O7/c1-14(13-28)6-5-7-15(2)19-21(31)22(32)23-26(19,4)11-9-18-25(3)10-8-16(29)12-17(25)20(30)24(33)27(18,23)34/h14-24,28-34H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)[C@@H](O)[C@]12O,C27H48O7,,484.3400038759998,VHACFTUFOBCYNP,Terpenoids,Steroids,Cholestane steroids,Asteropsis carinifera,715344.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Asteropseidae'],['Unknown'],['Asteropsis'],['Asteropsis carinifera'],1,1,3.554398536682129 5141,9366,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.51359963,ISDB,VHACFTUFOBCYNP-CDNXHFHWSA-N,"InChI=1S/C27H48O7/c1-14(13-28)6-5-7-15(2)19-21(31)22(32)23-26(19,4)11-9-18-25(3)10-8-16(29)12-17(25)20(30)24(33)27(18,23)34/h14-24,28-34H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)[C@@H](O)[C@]12O,C27H48O7,,484.3400038759998,VHACFTUFOBCYNP,Terpenoids,Steroids,Cholestane steroids,Patiria pectinifera,977093.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Asterinidae'],['Unknown'],['Patiria'],['Patiria pectinifera'],1,1,3.554398536682129 5142,9366,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.51359963,ISDB,VHACFTUFOBCYNP-CDNXHFHWSA-N,"InChI=1S/C27H48O7/c1-14(13-28)6-5-7-15(2)19-21(31)22(32)23-26(19,4)11-9-18-25(3)10-8-16(29)12-17(25)20(30)24(33)27(18,23)34/h14-24,28-34H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)[C@@H](O)[C@]12O,C27H48O7,,484.3400038759998,VHACFTUFOBCYNP,Terpenoids,Steroids,Cholestane steroids,Protoreaster nodosus,293690.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Oreasteridae'],['Unknown'],['Protoreaster'],['Protoreaster nodosus'],1,1,3.554398536682129 5143,9366,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.51359963,ISDB,VHACFTUFOBCYNP-RLNGPSKKSA-N,"InChI=1S/C27H48O7/c1-14(13-28)6-5-7-15(2)19-21(31)22(32)23-26(19,4)11-9-18-25(3)10-8-16(29)12-17(25)20(30)24(33)27(18,23)34/h14-24,28-34H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21+,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@H](O)[C@@H](O)[C@]12O,C27H48O7,,484.340003876,VHACFTUFOBCYNP,Terpenoids,Steroids,Cholestane steroids,Linckia laevigata,608372.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Ophidiasteridae'],['Unknown'],['Linckia'],['Linckia laevigata'],1,1,3.554398536682129 5144,9365,-1,,,,0.36471272,ISDB,QJCXIVBLEONWOC-UHFFFAOYSA-N,"InChI=1S/C17H14N2O/c1-19-14-9-5-2-6-11(14)10-15(20)16-17(19)12-7-3-4-8-13(12)18-16/h2-9,18H,10H2,1H3",CN1c2ccccc2CC(=O)c2[nH]c3ccccc3c21,C17H14N2O,,262.110613068,QJCXIVBLEONWOC,Alkaloids,Tryptophan alkaloids,,Cryptolepis sanguinolenta,5145406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Unknown'],['Cryptolepis'],['Cryptolepis sanguinolenta'],4,0,5.458850860595703 5145,9364,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.42321146,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.692845821380615 5146,9364,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.42321146,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.692845821380615 5147,9363,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 5148,9362,-1,,,,0.3953452,ISDB,,,,,,,AXWBBSIHTKEQAG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.581380844116211 5149,9361,-1,,,,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5150,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 5151,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5152,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 5153,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 5154,9361,-1,,,,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5155,9361,-1,,,,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5156,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 5157,9361,-1,,,,0.0,MS1_match,NZCULBURCGAPSF-OQCQIIONSA-N,"InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,NZCULBURCGAPSF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5158,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5159,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5160,9361,-1,,,,0.0,MS1_match,MDZKJHQSJHYOHJ-HFYZCPLSSA-N,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1sodium,472.35526001599993,MDZKJHQSJHYOHJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5161,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5162,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5163,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5164,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-RFMFWNHYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5165,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5166,9361,-1,,,,0.0,MS1_match,MDZKJHQSJHYOHJ-HFYZCPLSSA-N,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1sodium,472.35526001599993,MDZKJHQSJHYOHJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5167,9361,-1,,,,0.0,MS1_match,MDZKJHQSJHYOHJ-HFYZCPLSSA-N,"InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O4,pos_1_1sodium,472.35526001599993,MDZKJHQSJHYOHJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5168,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,0,8.0 5169,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5170,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 5171,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5172,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 5173,9361,-1,,,,0.0,MS1_match,PFCVZKFJHRCLCC-PGOIBATFSA-N,"InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,PFCVZKFJHRCLCC,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5174,9361,-1,,,,0.0,MS1_match,PFCVZKFJHRCLCC-PGOIBATFSA-N,"InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,PFCVZKFJHRCLCC,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 5175,9361,-1,,,,0.0,MS1_match,HFGSQOYIOKBQOW-ZSDYHTTISA-N,"InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O4,pos_1_1sodium,472.3552600159999,HFGSQOYIOKBQOW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 5176,9360,1477,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4668576,ISDB,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.367430448532104 5177,9357,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RATDBJVTTWMKNB-PRDJCCBUSA-N,"InChI=1S/C29H46O3/c1-17-7-8-19-11-13-28(5)20(24(19)18(17)2)9-10-23-26(3)15-21(31)25(32)27(4,16-30)22(26)12-14-29(23,28)6/h9,17-18,21-23,25,30-32H,7-8,10-16H2,1-6H3/t17-,18+,21-,22-,23-,25+,26+,27+,28-,29-/m1/s1",C[C@@H]1CCC2=C(C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)[C@H]1C,C29H46O3,pos_1_1proton1dmso,442.344695332,RATDBJVTTWMKNB,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 5178,9357,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,LZAGCGQZQCAYEZ-SPLNTBABSA-N,"InChI=1S/C29H46O3/c1-17-11-14-29(25(31)32)16-15-27(5)19-9-10-22-26(3,4)23(30)12-13-28(22,6)20(19)7-8-21(27)24(29)18(17)2/h8,17-20,22-24,30H,7,9-16H2,1-6H3,(H,31,32)/t17-,18+,19+,20-,22-,23-,24-,27+,28-,29-/m1/s1",C[C@H]1[C@H](C)CC[C@@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@H]3C(C)(C)[C@H](O)CC[C@]43C)[C@@H]12,C29H46O3,pos_1_1proton1dmso,442.344695332,LZAGCGQZQCAYEZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],6,3,7.5 5179,9357,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WNSFSDRSFORRFL-CIRZUICPSA-N,"InChI=1S/C29H46O3/c1-17-7-8-19(25(31)32)18-11-15-28(5)20(24(17)18)9-10-22-27(4)14-13-23(30)26(2,3)21(27)12-16-29(22,28)6/h9,17-19,21-24,30H,7-8,10-16H2,1-6H3,(H,31,32)/t17-,18+,19+,21+,22-,23-,24-,27-,28-,29+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21,C29H46O3,pos_1_1proton1dmso,442.344695332,WNSFSDRSFORRFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus plicatus,162606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus plicatus'],6,3,7.5 5180,9357,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WNSFSDRSFORRFL-CIRZUICPSA-N,"InChI=1S/C29H46O3/c1-17-7-8-19(25(31)32)18-11-15-28(5)20(24(17)18)9-10-22-27(4)14-13-23(30)26(2,3)21(27)12-16-29(22,28)6/h9,17-19,21-24,30H,7-8,10-16H2,1-6H3,(H,31,32)/t17-,18+,19+,21+,22-,23-,24-,27-,28-,29+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21,C29H46O3,pos_1_1proton1dmso,442.344695332,WNSFSDRSFORRFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus cochinchinensis,538507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus cochinchinensis'],6,3,7.5 5181,9357,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WNSFSDRSFORRFL-CIRZUICPSA-N,"InChI=1S/C29H46O3/c1-17-7-8-19(25(31)32)18-11-15-28(5)20(24(17)18)9-10-22-27(4)14-13-23(30)26(2,3)21(27)12-16-29(22,28)6/h9,17-19,21-24,30H,7-8,10-16H2,1-6H3,(H,31,32)/t17-,18+,19+,21+,22-,23-,24-,27-,28-,29+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21,C29H46O3,pos_1_1proton1dmso,442.344695332,WNSFSDRSFORRFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus fruticosus,5786188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus armeniacus'],6,3,7.5 5182,9357,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JUACIYYSDHRLAT-OMWSRIAKSA-N,"InChI=1S/C29H46O3/c1-17-7-8-20(25(31)32)19-11-13-28(5)21(24(17)19)9-10-23-27(4)16-18(30)15-26(2,3)22(27)12-14-29(23,28)6/h9,17-20,22-24,30H,7-8,10-16H2,1-6H3,(H,31,32)/t17-,18-,19+,20+,22+,23-,24-,27-,28-,29+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)CC(C)(C)[C@H]5CC[C@]43C)[C@H]21,C29H46O3,pos_1_1proton1dmso,442.344695332,JUACIYYSDHRLAT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus plicatus,162606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus plicatus'],6,3,7.5 5183,9357,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JUACIYYSDHRLAT-OMWSRIAKSA-N,"InChI=1S/C29H46O3/c1-17-7-8-20(25(31)32)19-11-13-28(5)21(24(17)19)9-10-23-27(4)16-18(30)15-26(2,3)22(27)12-14-29(23,28)6/h9,17-20,22-24,30H,7-8,10-16H2,1-6H3,(H,31,32)/t17-,18-,19+,20+,22+,23-,24-,27-,28-,29+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)CC(C)(C)[C@H]5CC[C@]43C)[C@H]21,C29H46O3,pos_1_1proton1dmso,442.344695332,JUACIYYSDHRLAT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus cochinchinensis,538507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus cochinchinensis'],6,3,7.5 5184,9357,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JUACIYYSDHRLAT-OMWSRIAKSA-N,"InChI=1S/C29H46O3/c1-17-7-8-20(25(31)32)19-11-13-28(5)21(24(17)19)9-10-23-27(4)16-18(30)15-26(2,3)22(27)12-14-29(23,28)6/h9,17-20,22-24,30H,7-8,10-16H2,1-6H3,(H,31,32)/t17-,18-,19+,20+,22+,23-,24-,27-,28-,29+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)CC(C)(C)[C@H]5CC[C@]43C)[C@H]21,C29H46O3,pos_1_1proton1dmso,442.344695332,JUACIYYSDHRLAT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus fruticosus,5786188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus armeniacus'],6,3,7.5 5185,9356,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,RZFHLOLGZPDCHJ-XZXLULOTSA-N,"InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1,C29H44O2,pos_1_1proton1dmso,424.3341306479999,RZFHLOLGZPDCHJ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,1,6.5 5186,9355,2360,Terpenoids,Diterpenoids,Labdane diterpenoids,0.21710902,ISDB,JTUYNKPRHAYAEY-MSHUOENLSA-N,"InChI=1S/C27H46O6/c1-14(4-5-15-10-16(15)13-28)21-22(31)23(32)24-26(21,3)9-7-20-25(2)8-6-17(29)11-18(25)19(30)12-27(20,24)33/h14-24,28-33H,4-13H2,1-3H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24-,25+,26-,27+/m1/s1",C[C@H](CC[C@@H]1C[C@H]1CO)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O,C27H46O6,,466.3294391919999,JTUYNKPRHAYAEY,Terpenoids,Steroids,Cholestane steroids,Hippasteria phrygiana,3656615.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Goniasteridae'],['Unknown'],['Hippasteria'],['Hippasteria phrygiana'],1,1,2.368436098098755 5187,9354,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.22228815,ISDB,RNIUPZYYTVVUNU-PXDRNWIDSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,20,22-23H,2-5,8-19H2,1H3/b7-6-/t20-/m1/s1",CCCCC/C=C\CCCCCCCCCCC(=O)OC[C@H](O)CO,C21H40O4,,356.29265976,RNIUPZYYTVVUNU,Fatty acids,Glycerolipids,Monoacylglycerols,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],4,3,6.3891525864601135 5188,9353,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.5833322,ISDB,LAJHPFCGLXGQIB-IHVLYLRMSA-N,"InChI=1S/C21H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h17-18,20,22H,3-16H2,1-2H3/b19-17+/t18-,20-/m0/s1",CCCCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@@H]1O,C21H38O3,,338.282095076,LAJHPFCGLXGQIB,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Mezilaurus mahuba,5232036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Mezilaurus'],['Mezilaurus mahuba'],4,3,7.833328723907471 5189,9352,-1,,,,0.75486535,ISDB,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)O,C18H34O2,,282.255880328,ZQPPMHVWECSIRJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,12.019461393356323 5190,9351,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.6635925,ISDB,UVNRLSCOYBEJTM-YOILPLPUSA-N,"InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,12-13,15-16,19H,2-8,11,14,17-18H2,1H3/b10-9-,13-12-,16-15-",CCCCCCCC/C=C\C/C=C\C/C=C\CCO,C18H32O,,264.245315644,UVNRLSCOYBEJTM,Fatty acids,Fatty acyls,Fatty alcohols,Clibadium microcephalum,7604923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Clibadium'],['Clibadium microcephalum'],4,0,6.654370069503784 5191,9350,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.545427,ISDB,KWKXNDCHNDYVRT-UHFFFAOYSA-N,"InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",CCCCCCCCCCCCc1ccccc1,C18H30,,246.23475096,KWKXNDCHNDYVRT,Polyketides,Aromatic polyketides,Catechols with side chains,Aloe vera,62303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe vera'],4,3,7.681708097457886 5192,9348,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.2309274,ISDB,RNIUPZYYTVVUNU-PXDRNWIDSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,20,22-23H,2-5,8-19H2,1H3/b7-6-/t20-/m1/s1",CCCCC/C=C\CCCCCCCCCCC(=O)OC[C@H](O)CO,C21H40O4,,356.29265976,RNIUPZYYTVVUNU,Fatty acids,Glycerolipids,Monoacylglycerols,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],4,3,6.423709571361542 5193,9346,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.25039148,ISDB,MSVQOBXUOCLVIA-BRSPMVRESA-N,"InChI=1S/C30H46O6/c1-16-14-20-27(4,24(34)22(16)32)11-13-28(5)19-8-9-30(25(35)36-7)17(2)23(33)18(31)15-21(30)26(19,3)10-12-29(20,28)6/h16-21,24,31,34H,8-15H2,1-7H3/t16-,17+,18+,19+,20-,21+,24-,26-,27-,28-,29+,30+/m1/s1",COC(=O)[C@]12CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]34C)[C@@H]1C[C@H](O)C(=O)[C@@H]2C,C30H46O6,,502.329439192,MSVQOBXUOCLVIA,Terpenoids,Triterpenoids,Friedelane triterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,2,6.001565933227539 5194,9345,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.3679737,ISDB,VIDISXWZNJLDBI-IDEZQVRVSA-N,"InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1,C28H42O4,,442.3083098239999,VIDISXWZNJLDBI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Paeonia rockii,360650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia rockii'],4,2,6.47189474105835 5195,9345,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.3679737,ISDB,VIDISXWZNJLDBI-IDEZQVRVSA-N,"InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1,C28H42O4,,442.3083098239999,VIDISXWZNJLDBI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Paeonia veitchii,633846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia veitchii'],4,2,6.47189474105835 5196,9345,52,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.3679737,ISDB,VIDISXWZNJLDBI-IDEZQVRVSA-N,"InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1,C28H42O4,,442.3083098239999,VIDISXWZNJLDBI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Paeonia anomala,985348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia anomala'],4,2,6.47189474105835 5197,9344,1743,Terpenoids,Triterpenoids,Limonoids,0.5233177,ISDB,OIYMSAOAFKGCMV-QSAVFGIQSA-N,"InChI=1S/C28H40O3/c1-18(29)31-24-16-23-25(2,3)12-7-13-27(23,5)22-10-14-26(4)20(19-11-15-30-17-19)8-9-21(26)28(22,24)6/h7,11,13,15,17,20-24H,8-10,12,14,16H2,1-6H3/t20-,21-,22-,23+,24-,26-,27-,28+/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@@]21C,C28H40O3,,424.29774514,OIYMSAOAFKGCMV,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],4,3,7.593270778656006 5198,9344,1743,Terpenoids,Triterpenoids,Limonoids,0.5233177,ISDB,OIYMSAOAFKGCMV-QSAVFGIQSA-N,"InChI=1S/C28H40O3/c1-18(29)31-24-16-23-25(2,3)12-7-13-27(23,5)22-10-14-26(4)20(19-11-15-30-17-19)8-9-21(26)28(22,24)6/h7,11,13,15,17,20-24H,8-10,12,14,16H2,1-6H3/t20-,21-,22-,23+,24-,26-,27-,28+/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@@]21C,C28H40O3,,424.29774514,OIYMSAOAFKGCMV,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],4,3,7.593270778656006 5199,9341,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.23518988,ISDB,VSMMARVLBUTSFJ-NXCFDTQHSA-N,"InChI=1S/C27H50O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24(31)17-18-25(34-23(3)30)19-27(32)35-26(20-28)21-33-22(2)29/h24-26,28,31H,4-21H2,1-3H3/t24-,25+,26-/m0/s1",CCCCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)O[C@@H](CO)COC(C)=O)OC(C)=O,C27H50O8,,502.35056856,VSMMARVLBUTSFJ,,,,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],4,0,4.940759539604187 5200,9340,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,NFNYYDIZCJKCQK-FKODAYNLSA-N,"InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28+,29-/m1/s1",CC(=O)[C@]1(O)C(C)=C(C)C(=O)[C@@]12CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,C29H50O4,pos_1_minus1proton1magnesium,462.37091008,NFNYYDIZCJKCQK,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Pourthiaea arguta,3903609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pourthiaea'],['Pourthiaea arguta'],6,1,6.5 5201,9340,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,NFNYYDIZCJKCQK-FKODAYNLSA-N,"InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28+,29-/m1/s1",CC(=O)[C@]1(O)C(C)=C(C)C(=O)[C@@]12CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,C29H50O4,pos_1_minus1proton1magnesium,462.37091008,NFNYYDIZCJKCQK,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Pourthiaea arguta,3903609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pourthiaea'],['Pourthiaea arguta'],6,1,6.5 5202,9340,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,NFNYYDIZCJKCQK-FKODAYNLSA-N,"InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28+,29-/m1/s1",CC(=O)[C@]1(O)C(C)=C(C)C(=O)[C@@]12CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,C29H50O4,pos_1_minus1proton1magnesium,462.37091008,NFNYYDIZCJKCQK,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Photinia lucida,346362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia lucida'],6,1,6.5 5203,9340,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,NFNYYDIZCJKCQK-FKODAYNLSA-N,"InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28+,29-/m1/s1",CC(=O)[C@]1(O)C(C)=C(C)C(=O)[C@@]12CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,C29H50O4,pos_1_minus1proton1magnesium,462.37091008,NFNYYDIZCJKCQK,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Photinia lucida,346362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia lucida'],6,1,6.5 5204,9339,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.0,MS1_match,DTOSIQBPPRVQHS-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,pos_1_1proton1isopropanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5205,9339,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1isopropanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 5206,9339,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.0,MS1_match,AHANXAKGNAKFSK-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCCCCCCCCCC(=O)O,C20H34O2,pos_1_1proton1methanol,306.255880328,AHANXAKGNAKFSK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5207,9338,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.67268455,ISDB,UVNRLSCOYBEJTM-YOILPLPUSA-N,"InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,12-13,15-16,19H,2-8,11,14,17-18H2,1H3/b10-9-,13-12-,16-15-",CCCCCCCC/C=C\C/C=C\C/C=C\CCO,C18H32O,,264.245315644,UVNRLSCOYBEJTM,Fatty acids,Fatty acyls,Fatty alcohols,Clibadium microcephalum,7604923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Clibadium'],['Clibadium microcephalum'],4,0,6.690738201141357 5208,9337,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.5432511,ISDB,KWKXNDCHNDYVRT-UHFFFAOYSA-N,"InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",CCCCCCCCCCCCc1ccccc1,C18H30,,246.23475096,KWKXNDCHNDYVRT,Polyketides,Aromatic polyketides,Catechols with side chains,Aloe vera,62303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe vera'],4,3,7.673004388809204 5209,9336,-1,,,,0.0,MS1_match,XGRNHARTLDHAGL-XHFBIRIMSA-N,"InChI=1S/C35H52O2/c1-23(2)24(3)12-13-25(4)30-16-17-31-29-15-14-27-22-28(37-33(36)26-10-8-7-9-11-26)18-20-34(27,5)32(29)19-21-35(30,31)6/h7-11,14,23-25,28-32H,12-13,15-22H2,1-6H3/t24-,25-,28+,29+,30+,31+,32-,34+,35+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]21C,C35H52O2,pos_1_minus1proton1calcium,504.396730904,XGRNHARTLDHAGL,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 5210,9334,1477,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.45999575,ISDB,BQTXBPMCEMDQEK-BZHYFQBYSA-N,"InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1",C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O,C30H44O4,,468.323959888,BQTXBPMCEMDQEK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.339982986450195 5211,9331,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 5212,9331,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 5213,9331,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SODOCNHASA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 5214,9331,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula nana,567481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nana'],7,0,7.0 5215,9331,-1,,,,0.0,MS1_match,YJMRWBFGYRRLNZ-SYURTPLQSA-N,"InChI=1S/C32H54O5/c1-19(33)36-21-18-23-29(6)14-12-24(34)27(2,3)22(29)11-16-30(23,7)31(8)15-10-20(26(21)31)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22-,23+,24+,25+,26-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,YJMRWBFGYRRLNZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula glandulosa,452593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula glandulosa'],7,0,7.0 5216,9331,-1,,,,0.0,MS1_match,OKFUMXYKQQZGEL-ORUFPOAGSA-N,"InChI=1S/C32H54O5/c1-20(2)11-10-14-31(9,35)32(36)18-17-30(8)26(32)22(37-21(3)33)19-24-28(6)15-13-25(34)27(4,5)23(28)12-16-29(24,30)7/h11,22-26,34-36H,10,12-19H2,1-9H3/t22-,23-,24-,25-,26+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,OKFUMXYKQQZGEL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 5217,9331,-1,,,,0.0,MS1_match,AGUHAYAHWBTKAM-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-24-12-14-29(6)23(27(24,2)3)11-16-31(8)26(29)22(34)18-21-20(10-15-30(21,31)7)32(9)17-13-25(37-32)28(4,5)35/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CCC2(C)C(CCC3(C)C2C(O)CC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C,C32H54O5,pos_1_1sodium,518.397124828,AGUHAYAHWBTKAM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 5218,9331,-1,,,,0.0,MS1_match,NBEIUEYVYOEVCL-LCYMMZRTSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3/t20-,21+,22+,23-,24-,25+,26+,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12,C32H54O5,pos_1_1sodium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 5219,9331,-1,,,,0.0,MS1_match,NBEIUEYVYOEVCL-UHFFFAOYSA-N,"InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3",CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12,C32H54O5,pos_1_1sodium,518.397124828,NBEIUEYVYOEVCL,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ermanii var. lanata,731252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 5220,9330,-1,,,,0.48581502,ISDB,UPKROLOLJKAWPU-NFNMRRJISA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H48O2,,440.3654307759999,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.943260073661804 5221,9330,-1,,,,0.48581502,ISDB,UPKROLOLJKAWPU-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)",C=C(C)C1CCC2(C)C(CCC3=C4CC(C)(C)CCC4(C)CCC32C)C1(C)CCC(=O)O,C30H48O2,,440.365430776,UPKROLOLJKAWPU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.943260073661804 5222,9329,-1,,,,0.58016187,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.320647478103638 5223,9328,109,Fatty acids,Fatty amides,Primary amides,0.3056121,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2224483489990234 5224,9326,-1,,,,0.25965694,ISDB,STSLNURRVKPSHZ-UHFFFAOYSA-N,"InChI=1S/C28H43NO5/c1-21(30)12-10-8-6-4-5-7-9-11-13-24-16-18-26(22(2)29-24)34-28(32)19-15-23-14-17-25(31)27(20-23)33-3/h14-15,17,19-20,22,24,26,29,31H,4-13,16,18H2,1-3H3",COc1cc(C=CC(=O)OC2CCC(CCCCCCCCCCC(C)=O)NC2C)ccc1O,C28H43NO5,,473.314123476,STSLNURRVKPSHZ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],3,0,4.038627743721008 5225,9325,-1,,,,0.5896644,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,6.358657598495483 5226,9323,958,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.24254851,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,3,6.470194041728973 5227,9323,958,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.24254851,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,3,6.470194041728973 5228,9320,3447,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QIBTYQFSZFGWCS-YETGDIJESA-N,"InChI=1S/C33H36O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-2,5-9,12-16,24,29,31-34,36-40,42H,3-4,10-11,17-18H2/b14-7+/t24-,29+,31-,32+,33-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H36O12,pos_3_3proton,624.220676592,QIBTYQFSZFGWCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 5229,9318,-1,,,,0.26111582,ISDB,HBZPFOFGXNILSW-UKRRQHHQSA-N,"InChI=1S/C15H22O/c1-10-5-6-12-11(2)13-7-8-14(3,4)15(12,9-10)16-13/h9,13H,5-8H2,1-4H3/t13-,15-/m1/s1",CC1=C[C@]23O[C@H](CCC2(C)C)C(C)=C3CC1,C15H22O,,218.167065324,HBZPFOFGXNILSW,Terpenoids,Sesquiterpenoids,Himachalane sesquiterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,0,6.044463276863098 5230,9317,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70239234,ISDB,LTXWQSYUEDMABQ-WFXMLNOXSA-N,"InChI=1S/C21H28O3/c1-12(2)13-9-14-15(10-16(13)23-5)21-8-6-7-20(3,4)18(21)11-17(14)24-19(21)22/h9-10,12,17-18H,6-8,11H2,1-5H3/t17-,18-,21-/m0/s1",COc1cc2c(cc1C(C)C)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1,C21H28O3,,328.203844756,LTXWQSYUEDMABQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis formosensis,800340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis formosensis'],5,3,9.309569358825684 5231,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.577927827835083 5232,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.577927827835083 5233,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.577927827835083 5234,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.577927827835083 5235,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.577927827835083 5236,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.577927827835083 5237,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.577927827835083 5238,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.577927827835083 5239,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.577927827835083 5240,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.577927827835083 5241,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.577927827835083 5242,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.577927827835083 5243,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.577927827835083 5244,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.577927827835083 5245,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.577927827835083 5246,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.577927827835083 5247,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.577927827835083 5248,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.577927827835083 5249,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.577927827835083 5250,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.577927827835083 5251,9316,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51948196,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.577927827835083 5252,9314,-1,,,,0.58457905,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],4,0,6.338316202163696 5253,9313,-1,,,,0.31690335,ISDB,KULGJNLEWICRST-LABWTSPLSA-N,"InChI=1S/C29H42O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,18-21,25,27H,7,12-17H2,1-6H3/b9-8+/t20-,21-,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H42O,,406.323565964,KULGJNLEWICRST,Terpenoids,Steroids,Stigmastane steroids,Ailanthus altissima,30793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Ailanthus'],['Ailanthus altissima'],4,0,5.267613410949707 5254,9312,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5085778,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.534311294555664 5255,9311,109,Fatty acids,Fatty amides,Primary amides,0.37500778,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5000311136245728 5256,9308,1030,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6182185,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],4,3,7.97287392616272 5257,9307,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5188973,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.575589179992676 5258,9304,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,SHZGCJCMOBCMKK-HGVZOGFYSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1",C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,pos_2MNa,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5259,9303,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5631223,ISDB,VQMRYJZWLGXFLR-UHFFFAOYSA-N,"InChI=1S/C8H10O4/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4,9-10H,1-2H3",COc1cc(O)c(OC)c(O)c1,C8H10O4,,170.0579088,VQMRYJZWLGXFLR,Shikimates and Phenylpropanoids,,,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,1,6.75248908996582 5260,9302,2620,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.68004334,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,3,8.220173358917236 5261,9300,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_1_1proton1methanol,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 5262,9299,1184,Terpenoids,Diterpenoids,Gibberellins,0.8120048,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.748019218444824 5263,9299,1184,Terpenoids,Diterpenoids,Gibberellins,0.8120048,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,9.748019218444824 5264,9298,57,Terpenoids,Steroids,Cardenolides,0.5269614,ISDB,OOQRHGBPHULERW-DPGDLXMDSA-N,"InChI=1S/C31H48O12/c1-17-5-8-21-29(2,10-4-11-30(21,3)19(17)7-6-18-9-12-39-26(18)37)15-40-27-24(23(35)22(34)20(13-32)42-27)43-28-25(36)31(38,14-33)16-41-28/h9,19-25,27-28,32-36,38H,1,4-8,10-16H2,2-3H3/t19-,20-,21-,22-,23+,24-,25+,27-,28+,29+,30+,31-/m1/s1",C=C1CC[C@@H]2[C@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O,C31H48O12,,612.3145769759999,OOQRHGBPHULERW,Terpenoids,Diterpenoids,Labdane diterpenoids,Andrographis paniculata,275698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Andrographideae'],['Andrographis'],['Andrographis paniculata'],4,1,6.6078455448150635 5265,9294,2618,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4919345,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.467738032341003 5266,9294,2618,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4919345,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.467738032341003 5267,9294,2618,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4919345,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.467738032341003 5268,9294,2618,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4919345,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.467738032341003 5269,9294,2618,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4919345,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.467738032341003 5270,9291,-1,,,,0.23760103,ISDB,ANHOWKNWMOVOFJ-PFVOOUMGSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H48O6,,516.3450892559998,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.950404107570648 5271,9291,-1,,,,0.23760103,ISDB,ANHOWKNWMOVOFJ-UHFFFAOYSA-N,"InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(=O)O4)CCC23C)C1(C)C,C31H48O6,,516.345089256,ANHOWKNWMOVOFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.950404107570648 5272,9289,1718,Terpenoids,Triterpenoids,Lupane triterpenoids,0.37931237,ISDB,FVWJYYTZTCVBKE-ROUWMTJPSA-N,"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O2,,442.38108084,FVWJYYTZTCVBKE,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus pensylvanica,180915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus pensylvanica'],8,3,11.017249464988708 5273,9288,765,Terpenoids,Sesquiterpenoids,Zizaane sesquiterpenoids,0.72955924,ISDB,CXANYYGAUWHHNM-MLCFOIATSA-N,"InChI=1S/C14H22O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10-12,15H,1,4-8H2,2-3H3/t10-,11?,12?,14-/m1/s1",C=C1C2CCC(O)[C@@]23CC[C@H](C3)C1(C)C,C14H22O,,206.167065324,CXANYYGAUWHHNM,Terpenoids,Sesquiterpenoids,Zizaane sesquiterpenoids,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],4,3,8.41823697090149 5274,9287,958,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,OVSVTCFNLSGAMM-OUOOUFEBSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H62,pos_3_2proton1sodium,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5275,9287,958,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,OVSVTCFNLSGAMM-OUOOUFEBSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H62,pos_3_2proton1sodium,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5276,9286,1718,Terpenoids,Triterpenoids,Lupane triterpenoids,0.35768017,ISDB,XUARCIYIVXVTAE-HGBZRQGGSA-N,"InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24-,25+,27+,28-,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H50O2,,442.38108084,XUARCIYIVXVTAE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,2,11.430720686912537 5277,9285,-1,,,,0.5158045,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.063218116760254 5278,9284,2593,Terpenoids,Triterpenoids,Glutinane triterpenoids,0.610461,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,3,9.94184398651123 5279,9283,765,Terpenoids,Sesquiterpenoids,Zizaane sesquiterpenoids,0.7241738,ISDB,CXANYYGAUWHHNM-MLCFOIATSA-N,"InChI=1S/C14H22O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10-12,15H,1,4-8H2,2-3H3/t10-,11?,12?,14-/m1/s1",C=C1C2CCC(O)[C@@]23CC[C@H](C3)C1(C)C,C14H22O,,206.167065324,CXANYYGAUWHHNM,Terpenoids,Sesquiterpenoids,Zizaane sesquiterpenoids,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],4,3,8.396695137023926 5280,9282,255,Terpenoids,Triterpenoids,Ergostane steroids,0.0,MS1_match,AFWQAQIBFUCSBW-QMNQXNEXSA-N,"InChI=1S/C29H42O4/c1-17(15-19(30)16-18(2)26(32)33)21-8-9-22-20-7-10-24-27(3,4)25(31)12-14-29(24,6)23(20)11-13-28(21,22)5/h7,9,16-17,21,23-25,31H,8,10-15H2,1-6H3,(H,32,33)/b18-16+/t17-,21+,23-,24+,25-,28+,29-/m1/s1",C/C(=C\C(=O)C[C@@H](C)[C@@H]1CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O,C29H42O4,pos_1_1proton1ammonium,454.30830982399993,AFWQAQIBFUCSBW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,7.0 5281,9282,255,Terpenoids,Triterpenoids,Ergostane steroids,0.0,MS1_match,HFGBRJFIVADATB-ZFOUYFPFSA-N,"InChI=1S/C29H42O4/c1-17(14-19-15-18(16-30)26(32)33-19)21-7-8-22-20-6-9-24-27(2,3)25(31)11-13-29(24,5)23(20)10-12-28(21,22)4/h6,15,17,19,21-24,30H,7-14,16H2,1-5H3/t17-,19-,21-,22+,23+,24+,28-,29-/m1/s1",C[C@H](C[C@@H]1C=C(CO)C(=O)O1)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C29H42O4,pos_1_1proton1ammonium,454.308309824,HFGBRJFIVADATB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,2,7.0 5282,9281,255,Terpenoids,Triterpenoids,Ergostane steroids,0.20181578,ISDB,,,,,,,MKTHNJPTUZGQKW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8072631359100342 5283,9280,255,Terpenoids,Triterpenoids,Ergostane steroids,0.37900072,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],3,1,5.016002893447876 5284,9278,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55987036,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.739481449127197 5285,9277,-1,,,,0.6080805,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,0,8.432322025299072 5286,9276,-1,,,,0.51268077,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.050723075866699 5287,9271,255,Terpenoids,Triterpenoids,Ergostane steroids,0.39333737,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],3,1,5.073349475860596 5288,9270,1745,Terpenoids,Diterpenoids,Abietane diterpenoids,0.26145127,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,9.545805096626282 5289,9269,109,Fatty acids,Fatty amides,Primary amides,0.49551356,ISDB,PKCDBAJESFUNQJ-BUWFCSEKSA-N,"InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1",C=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N,C16H31NO,,253.240564612,PKCDBAJESFUNQJ,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],1,1,3.4820542335510254 5290,9268,1745,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7936889,ISDB,UBQQOJDZHPQINO-BURNTYAHSA-N,"InChI=1S/C21H30O3/c1-13(2)15-10-14-6-7-18-20(3)8-5-9-21(18,16(14)11-17(15)22)19(23-4)24-12-20/h10-11,13,18-19,22H,5-9,12H2,1-4H3/t18-,19-,20+,21-/m0/s1",CO[C@H]1OC[C@@]2(C)CCC[C@@]13c1cc(O)c(C(C)C)cc1CC[C@@H]23,C21H30O3,,330.21949482,UBQQOJDZHPQINO,Terpenoids,Diterpenoids,Abietane diterpenoids,Fraxinus sieboldiana,358547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus sieboldiana'],3,3,7.674755573272705 5291,9267,109,Fatty acids,Fatty amides,Primary amides,0.47531337,ISDB,PKCDBAJESFUNQJ-BUWFCSEKSA-N,"InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1",C=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N,C16H31NO,,253.240564612,PKCDBAJESFUNQJ,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],1,1,3.4012534618377686 5292,9266,-1,,,,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 5293,9266,-1,,,,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 5294,9265,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54299784,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.671991348266602 5295,9264,1745,Terpenoids,Diterpenoids,Abietane diterpenoids,0.78993523,ISDB,UBQQOJDZHPQINO-BURNTYAHSA-N,"InChI=1S/C21H30O3/c1-13(2)15-10-14-6-7-18-20(3)8-5-9-21(18,16(14)11-17(15)22)19(23-4)24-12-20/h10-11,13,18-19,22H,5-9,12H2,1-4H3/t18-,19-,20+,21-/m0/s1",CO[C@H]1OC[C@@]2(C)CCC[C@@]13c1cc(O)c(C(C)C)cc1CC[C@@H]23,C21H30O3,,330.21949482,UBQQOJDZHPQINO,Terpenoids,Diterpenoids,Abietane diterpenoids,Fraxinus sieboldiana,358547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus sieboldiana'],3,3,7.659740924835205 5296,9263,109,Fatty acids,Fatty amides,Primary amides,0.47691604,ISDB,PKCDBAJESFUNQJ-BUWFCSEKSA-N,"InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1",C=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N,C16H31NO,,253.240564612,PKCDBAJESFUNQJ,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],1,1,3.407664179801941 5297,9262,-1,,,,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1sodium,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5298,9261,109,Fatty acids,Fatty amides,Primary amides,0.4829245,ISDB,PKCDBAJESFUNQJ-BUWFCSEKSA-N,"InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1",C=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N,C16H31NO,,253.240564612,PKCDBAJESFUNQJ,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],1,1,3.431697964668274 5299,9259,109,Fatty acids,Fatty amides,Primary amides,0.5123805,ISDB,PKCDBAJESFUNQJ-BUWFCSEKSA-N,"InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,6-7,15-16,18H,1,4-5,8-14,17H2,2H3/b7-6+/t15-,16+/m0/s1",C=CCC/C=C/CCCCCCC[C@@H](O)[C@H](C)N,C16H31NO,,253.240564612,PKCDBAJESFUNQJ,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],1,1,3.5495219230651855 5300,9256,2448,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5379867,ISDB,HHDNTTOUNUERTJ-RBSSRLJISA-N,"InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-23-28(5)17-21(38-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22?,23-,24+,25+,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@](C(=O)O)(CC[C@@H](C)[C@@]4(C)O)CC[C@]23C)C(C)(C)[C@H]1O,C32H50O6,,530.36073932,HHDNTTOUNUERTJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.651946783065796 5301,9256,2448,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5379867,ISDB,HHDNTTOUNUERTJ-BGJCYSRJSA-N,"InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-23-28(5)17-21(38-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22+,23-,24-,25+,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O,C32H50O6,,530.3607393199999,HHDNTTOUNUERTJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cecropia pachystachya,3907842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Cecropia'],['Cecropia pachystachya'],4,3,7.651946783065796 5302,9250,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4971536,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.488614439964294 5303,9250,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4971536,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],5,3,8.488614439964294 5304,9250,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4971536,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],5,3,8.488614439964294 5305,9250,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4971536,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.488614439964294 5306,9250,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4971536,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.488614439964294 5307,9250,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4971536,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.488614439964294 5308,9250,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4971536,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,3,8.488614439964294 5309,9248,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.506229,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.524915933609009 5310,9248,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.506229,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.524915933609009 5311,9248,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.506229,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.524915933609009 5312,9248,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.506229,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.524915933609009 5313,9244,1794,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,0.6250695,ISDB,IVGYNKMUKVTWBT-ZNABNZNXSA-N,"InChI=1S/C30H48/c1-20(2)21-11-13-28(6)22(21)12-14-30(8)25(28)10-9-23-24-19-26(3,4)15-16-27(24,5)17-18-29(23,30)7/h9,12,20-21,24-25H,10-11,13-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1",CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C,C30H48,,408.375601536,IVGYNKMUKVTWBT,Terpenoids,Triterpenoids,Fernane and Arborinane triterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,8.000277996063232 5314,9243,1477,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.55363554,ISDB,CXYRTWBYTTYNDF-ZGZBGPTMSA-N,"InChI=1S/C30H46O4/c1-18-15-29(33-23(18)32)16-19(2)30(34-29)14-11-25(5)21-8-7-20-24(3,4)22(31)9-10-27(20)17-28(21,27)13-12-26(25,30)6/h18-22,31H,7-17H2,1-6H3/t18-,19-,20+,21+,22-,25+,26+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@@]57CC[C@@]43C)O2)OC1=O,C30H46O4,,470.33960995199993,CXYRTWBYTTYNDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,9.214542150497437 5315,9240,2095,Terpenoids,Triterpenoids,Serratane triterpenoids,0.590534,ISDB,FDQQJDSRVSMJPR-LVMULPTPSA-N,"InChI=1S/C31H46O3/c1-19(32)34-26-13-15-29(6)24(28(26,4)5)12-16-30(7)25(29)10-9-22-21-17-27(2,3)14-11-20(21)23(33)18-31(22,30)8/h9,24-26H,10-18H2,1-8H3/t24-,25+,26-,29-,30+,31+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4C5=C(CCC(C)(C)C5)C(=O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H46O3,,466.344695332,FDQQJDSRVSMJPR,Terpenoids,Triterpenoids,Serratane triterpenoids,Marah macrocarpa,1066437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Marah'],['Marah macrocarpa'],4,3,7.862135887145996 5316,9238,1477,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.57727337,ISDB,CXYRTWBYTTYNDF-ZGZBGPTMSA-N,"InChI=1S/C30H46O4/c1-18-15-29(33-23(18)32)16-19(2)30(34-29)14-11-25(5)21-8-7-20-24(3,4)22(31)9-10-27(20)17-28(21,27)13-12-26(25,30)6/h18-22,31H,7-17H2,1-6H3/t18-,19-,20+,21+,22-,25+,26+,27-,28+,29+,30+/m1/s1",C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@@]57CC[C@@]43C)O2)OC1=O,C30H46O4,,470.33960995199993,CXYRTWBYTTYNDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],5,2,8.309093475341797 5317,9237,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5350054,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.640021562576294 5318,9236,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54394364,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.675774574279785 5319,9235,2618,Terpenoids,Triterpenoids,Lupane triterpenoids,0.502453,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.509812116622925 5320,9234,2187,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 5321,9234,2187,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,3,8.5 5322,9234,2187,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,3,8.5 5323,9233,-1,,,,0.54167336,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.166693449020386 5324,9233,-1,,,,0.54167336,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,0,8.166693449020386 5325,9231,-1,,,,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 5326,9226,-1,,,,0.3865598,ISDB,,,,,,,KTOILBSIMOFVJS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5462392568588257 5327,9225,785,Terpenoids,Steroids,Androstane steroids,0.6887266,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.254906415939331 5328,9224,-1,,,,0.34947458,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.397898316383362 5329,9224,-1,,,,0.34947458,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,0,6.397898316383362 5330,9223,-1,,,,0.45244524,ISDB,MEIJIKXWOMTKCH-SDNRFBISSA-N,"InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C,C28H44O3,,428.329045268,MEIJIKXWOMTKCH,Terpenoids,Steroids,Cholestane steroids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,5.809780955314636 5331,9221,1030,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.63220406,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],4,3,8.028816223144531 5332,9219,2814,,,,0.32970077,ISDB,,,,,,,ITSKEHKPHTXJPC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.318803071975708 5333,9218,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.36199293,ISDB,FPITUXIDBIAZPP-HTRCEHHLSA-N,"InChI=1S/C8H10O5/c9-5-1-2-8(13,4-7(11)12)6(10)3-5/h1-2,6,10,13H,3-4H2,(H,11,12)/t6-,8-/m1/s1",O=C(O)C[C@]1(O)C=CC(=O)C[C@H]1O,C8H10O5,,186.05282342,FPITUXIDBIAZPP,,,,Senecio scandens var. incisus,282890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio scandens'],4,0,5.447971701622009 5334,9218,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.36199293,ISDB,FPITUXIDBIAZPP-HTRCEHHLSA-N,"InChI=1S/C8H10O5/c9-5-1-2-8(13,4-7(11)12)6(10)3-5/h1-2,6,10,13H,3-4H2,(H,11,12)/t6-,8-/m1/s1",O=C(O)C[C@]1(O)C=CC(=O)C[C@H]1O,C8H10O5,,186.05282342,FPITUXIDBIAZPP,,,,Delairea odorata,304648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Delairea'],['Delairea odorata'],4,0,5.447971701622009 5335,9218,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.36199293,ISDB,FPITUXIDBIAZPP-HTRCEHHLSA-N,"InChI=1S/C8H10O5/c9-5-1-2-8(13,4-7(11)12)6(10)3-5/h1-2,6,10,13H,3-4H2,(H,11,12)/t6-,8-/m1/s1",O=C(O)C[C@]1(O)C=CC(=O)C[C@H]1O,C8H10O5,,186.05282342,FPITUXIDBIAZPP,,,,Senecio scandens,742757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio scandens'],4,0,5.447971701622009 5336,9217,-1,,,,0.64327437,ISDB,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,0,10.573097467422485 5337,9216,-1,,,,0.48546353,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,8.941854119300842 5338,9216,-1,,,,0.48546353,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,8.941854119300842 5339,9215,-1,,,,0.0,MS1_match,DOAJFZJEGHSYOI-PJWXJLGLSA-N,"InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21-,22-,23-,24-,27+,28-,29-,30+/m1/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O4,pos_1_1sodium,476.386560144,DOAJFZJEGHSYOI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5340,9215,-1,,,,0.0,MS1_match,WXLOZJGXIWMQEC-RMEASJAKSA-N,"InChI=1S/C30H52O4/c1-19(2)10-9-13-29(8,33)30(34)17-16-28(7)24(30)20(31)18-22-26(5)14-12-23(32)25(3,4)21(26)11-15-27(22,28)6/h10,20-24,31-34H,9,11-18H2,1-8H3/t20-,21+,22-,23-,24-,26+,27-,28-,29+,30-/m1/s1",CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,pos_1_1sodium,476.386560144,WXLOZJGXIWMQEC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5341,9215,-1,,,,0.0,MS1_match,UTJGQZHPXQZMFT-GBNJKKLKSA-N,"InChI=1S/C30H52O4/c1-24(2)19-11-15-27(6)20(26(19,5)14-12-22(24)31)9-10-21-28(27,7)17-18-30(21,33)29(8)16-13-23(34-29)25(3,4)32/h19-23,31-33H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,26-,27+,28+,29-,30+/m0/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O4,pos_1_1sodium,476.386560144,UTJGQZHPXQZMFT,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5342,9215,-1,,,,0.0,MS1_match,ZPWXYWSEQUKIHA-RVVBLXDBSA-N,"InChI=1S/C30H52O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-24,31-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22-,23+,24+,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,pos_1_1sodium,476.386560144,ZPWXYWSEQUKIHA,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5343,9215,-1,,,,0.0,MS1_match,CZGYKNXFDCANHD-DSNMAYEBSA-N,"InChI=1S/C30H52O4/c1-18(2)20(31)10-16-30(8,34)19-9-14-29(7)25(19)21(32)17-23-27(5)13-12-24(33)26(3,4)22(27)11-15-28(23,29)6/h19-25,31-34H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23-,24+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,pos_1_1sodium,476.386560144,CZGYKNXFDCANHD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5344,9215,-1,,,,0.0,MS1_match,WXLOZJGXIWMQEC-RMEASJAKSA-N,"InChI=1S/C30H52O4/c1-19(2)10-9-13-29(8,33)30(34)17-16-28(7)24(30)20(31)18-22-26(5)14-12-23(32)25(3,4)21(26)11-15-27(22,28)6/h10,20-24,31-34H,9,11-18H2,1-8H3/t20-,21+,22-,23-,24-,26+,27-,28-,29+,30-/m1/s1",CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O4,pos_1_1sodium,476.386560144,WXLOZJGXIWMQEC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5345,9215,-1,,,,0.0,MS1_match,DOAJFZJEGHSYOI-PJWXJLGLSA-N,"InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21-,22-,23-,24-,27+,28-,29-,30+/m1/s1",CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O4,pos_1_1sodium,476.386560144,DOAJFZJEGHSYOI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5346,9213,3348,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6401969,ISDB,DUEINKIQNGZKPL-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(CO)CCC[C@]23C)C1,C20H32O,,288.245315644,DUEINKIQNGZKPL,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.060787677764893 5347,9212,727,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.48792294,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,10.951691746711731 5348,9208,727,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.5036603,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,11.014641284942627 5349,9207,544,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6159085,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.963634014129639 5350,9206,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5351,9206,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5352,9206,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5353,9206,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 5354,9206,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_1_1sodium,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 5355,9206,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_1_1sodium,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 5356,9205,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7329206,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,3,8.431682348251343 5357,9205,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7329206,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,3,8.431682348251343 5358,9205,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7329206,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,8.431682348251343 5359,9205,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7329206,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,8.431682348251343 5360,9205,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7329206,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,3,8.431682348251343 5361,9205,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7329206,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,3,8.431682348251343 5362,9205,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7329206,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.431682348251343 5363,9204,-1,,,,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_3_2proton1sodium,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5364,9204,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_3_2proton1sodium,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5365,9204,-1,,,,0.0,MS1_match,OAIJSZIZWZSQBC-GYZMGTAESA-N,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C,C40H56,pos_3_2proton1sodium,536.438201792,OAIJSZIZWZSQBC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5366,9204,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_3_2proton1sodium,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5367,9204,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-LYJFTECISA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13-,20-14-,27-25+,28-26+,31-17+,32-18+,33-21-,34-22-",CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_3_2proton1sodium,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5368,9204,-1,,,,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_3_2proton1sodium,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5369,9204,-1,,,,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_3_2proton1sodium,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 5370,9201,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7335819,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,3,8.434327602386475 5371,9201,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7335819,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,3,8.434327602386475 5372,9201,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7335819,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,8.434327602386475 5373,9201,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7335819,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,8.434327602386475 5374,9201,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7335819,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,3,8.434327602386475 5375,9201,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7335819,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,3,8.434327602386475 5376,9201,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.7335819,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.434327602386475 5377,9199,-1,,,,0.52883464,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,9.115338563919067 5378,9199,-1,,,,0.52883464,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.115338563919067 5379,9199,-1,,,,0.52883464,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.115338563919067 5380,9199,-1,,,,0.52883464,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.115338563919067 5381,9199,-1,,,,0.52883464,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,9.115338563919067 5382,9198,-1,,,,0.608041,ISDB,DDCXFQXXQUYLQV-LFDWGOBLSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,19,22-27H,4,7-8,10-12,14-17H2,1-3,5-6H3/t19-,22+,23-,24+,25-,26-,27+,29+,30-/m0/s1",C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12,C30H44O2,,436.334130648,DDCXFQXXQUYLQV,Terpenoids,,,Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,6.432163953781128 5383,9196,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5126929,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.550771713256836 5384,9196,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5126929,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.550771713256836 5385,9191,41,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.42022952,ISDB,WPXIIGGPWPYUSJ-ZRJNTGDHSA-N,"InChI=1S/C41H62O13/c1-18(2)24-14-26(44)41(9,54-24)34-22(42)15-38(6)25-12-10-20-21(40(25,8)27(45)16-39(34,38)7)11-13-28(37(20,4)5)52-36-33(30(47)23(43)17-50-36)53-35-32(49)31(48)29(46)19(3)51-35/h10,14,18-19,21-23,25,28-36,42-43,46-49H,11-13,15-17H2,1-9H3/t19-,21+,22+,23+,25-,28+,29-,30-,31+,32+,33+,34-,35-,36-,38-,39+,40-,41+/m0/s1",CC(C)C1=CC(=O)[C@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1,C41H62O13,,762.4190420440001,WPXIIGGPWPYUSJ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Picria felterrae,246040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Linderniaceae'],['Unknown'],['Picria'],['Picria felterrae'],4,2,6.680918097496033 5386,9190,347,Terpenoids,Triterpenoids,Cholestane steroids,0.29154345,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia celebica,729746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia celebica'],4,2,6.166173815727234 5387,9190,347,Terpenoids,Triterpenoids,Cholestane steroids,0.29154345,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia speciosa,885608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia speciosa'],4,2,6.166173815727234 5388,9189,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1sodium,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 5389,9189,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1sodium,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 5390,9188,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.49713552,ISDB,BXCDNFMSWNBZGR-PKIGEZQHSA-N,"InChI=1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22+,23-,24+,27+,30+,31-,32-,33+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C33H50O6,,542.36073932,BXCDNFMSWNBZGR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,3,7.488542079925537 5391,9187,-1,,,,0.79652023,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.1860809326171875 5392,9186,2398,Fatty acids,Glycerophospholipids,Glycerophosphates,0.0,MS1_match,PORPENFLTBBHSG-MGBGTMOVSA-N,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,C35H69O8P,pos_2MFe,648.473005798,PORPENFLTBBHSG,Fatty acids,Glycerophospholipids,Glycerophosphates,Amelanchier canadensis,45831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier canadensis'],6,3,7.5 5393,9186,2398,Fatty acids,Glycerophospholipids,Glycerophosphates,0.0,MS1_match,PORPENFLTBBHSG-MGBGTMOVSA-N,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,C35H69O8P,pos_2MFe,648.473005798,PORPENFLTBBHSG,Fatty acids,Glycerophospholipids,Glycerophosphates,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 5394,9186,2398,Fatty acids,Glycerophospholipids,Glycerophosphates,0.0,MS1_match,PORPENFLTBBHSG-MGBGTMOVSA-N,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,C35H69O8P,pos_2MFe,648.473005798,PORPENFLTBBHSG,Fatty acids,Glycerophospholipids,Glycerophosphates,Amelanchier canadensis,45831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier canadensis'],6,3,7.5 5395,9186,2398,Fatty acids,Glycerophospholipids,Glycerophosphates,0.0,MS1_match,PORPENFLTBBHSG-MGBGTMOVSA-N,"InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,C35H69O8P,pos_2MFe,648.473005798,PORPENFLTBBHSG,Fatty acids,Glycerophospholipids,Glycerophosphates,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,7.5 5396,9185,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.47515953,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.400638103485107 5397,9184,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5035717,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.514286756515503 5398,9184,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5035717,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.514286756515503 5399,9183,2655,Shikimates and Phenylpropanoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_2MH,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,1,7.5 5400,9180,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37315276,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.992611050605774 5401,9179,-1,,,,0.6588183,ISDB,XEJHUBFVQWSNJW-WSTZPKSXSA-N,"InChI=1S/C20H30O2/c1-12(2)14-9-13-10-17(22)18-19(3,4)7-6-8-20(18,5)15(13)11-16(14)21/h9,11-12,17-18,21-22H,6-8,10H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)C2,C20H30O2,,302.2245802,XEJHUBFVQWSNJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.635273218154907 5402,9177,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3511201,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.904480457305908 5403,9174,1446,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 5404,9174,1446,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 5405,9174,1446,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 5406,9174,1446,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NNPJVZHKKMTATL-GQZIMJKVSA-N,"InChI=1S/C39H53NO10/c1-21-29-17-28-18-31(46-23(3)41)22(2)35(38(28,7)8)36(48-25(5)43)37(49-26(6)44)39(29,9)33(47-24(4)42)20-32(21)50-34(45)19-30(40(10)11)27-15-13-12-14-16-27/h12-16,28-33,36-37H,1,17-20H2,2-11H3/t28-,29-,30?,31+,32+,33+,36-,37+,39+/m1/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C39H53NO10,pos_1_1proton,695.366946896,NNPJVZHKKMTATL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 5407,9173,-1,,,,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1sodium,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5408,9173,-1,,,,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1sodium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5409,9173,-1,,,,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1sodium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5410,9172,-1,,,,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5411,9172,-1,,,,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5412,9172,-1,,,,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5413,9172,-1,,,,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5414,9172,-1,,,,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5415,9172,-1,,,,0.0,MS1_match,ZJHORUWDAUIHTD-UHFFFAOYSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)33(46-23(4)40)31-21(2)28(48-29(43)18-26(38(9)10)25-14-12-11-13-15-25)16-17-36(31,8)34(47-24(5)41)32(45-22(3)39)30(20)35(37,6)7/h11-15,26,28,31-34,44H,2,16-19H2,1,3-10H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,ZJHORUWDAUIHTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5416,9172,-1,,,,0.0,MS1_match,XQLJYGLHZIUECS-GLESJUERSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.2777975439999,XQLJYGLHZIUECS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5417,9172,-1,,,,0.0,MS1_match,CVSYBUKGIXQKJN-QFTQROJLSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)32(46-23(4)40)30-21(2)28(48-34(43)26(38(9)10)18-25-14-12-11-13-15-25)16-17-36(30,8)33(47-24(5)41)31(45-22(3)39)29(20)35(37,6)7/h11-15,26,28,30-33,44H,2,16-19H2,1,3-10H3/t26?,28-,30-,31+,32-,33-,36+,37+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,CVSYBUKGIXQKJN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5418,9172,-1,,,,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5419,9172,-1,,,,0.0,MS1_match,RWMXWLFXARITCC-CRMVJMMESA-N,"InChI=1S/C35H42O10/c1-19-26(42-20(2)36)16-25-28(43-21(3)37)15-24-18-35(7,33(41)32(40)31(19)34(25,5)6)29(44-22(4)38)17-27(24)45-30(39)14-13-23-11-9-8-10-12-23/h8-15,25-29,32,40H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28-,29-,32+,35-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)/C=C/c1ccccc1,C35H42O10,pos_1_1proton1ethylamine,622.277797544,RWMXWLFXARITCC,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5420,9172,-1,,,,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 5421,9169,-1,,,,0.8359947,ISDB,UDCUBDWFURCKMV-UQOMUDLDSA-N,"InChI=1S/C15H24N2O3/c18-11-4-8-16-10-14-5-1-3-12(19)17(14)13(20)15(16,9-11)7-2-6-14/h11,13,18,20H,1-10H2/t11-,13+,14+,15-/m1/s1",O=C1CCC[C@]23CCC[C@@]4(C[C@H](O)CCN4C2)[C@H](O)N13,C15H24N2O3,,280.178692628,UDCUBDWFURCKMV,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Calpurnia aurea,434094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Calpurnia'],['Calpurnia aurea'],3,0,6.3439788818359375 5422,9168,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,1,7.5 5423,9167,255,Terpenoids,Triterpenoids,Ergostane steroids,0.55007756,ISDB,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],3,3,6.700310230255127 5424,9166,255,Terpenoids,Triterpenoids,Ergostane steroids,0.5308976,ISDB,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],3,3,6.623590469360352 5425,9165,1969,Terpenoids,Triterpenoids,Cholestane steroids,0.5862661,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,2,7.345064401626587 5426,9163,255,Terpenoids,Triterpenoids,Ergostane steroids,0.43628377,ISDB,YSQAQXCFSXPGGZ-YPCKZGDBSA-N,"InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18+,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H38O6,,470.266838936,YSQAQXCFSXPGGZ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],3,3,6.245135068893433 5427,9162,1184,Terpenoids,Diterpenoids,Gibberellins,0.83456296,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,9.838251829147339 5428,9162,1184,Terpenoids,Diterpenoids,Gibberellins,0.83456296,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.838251829147339 5429,9160,1414,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.3512667,ISDB,DYOXXVQSGJXSDF-ZAXMZARQSA-N,"InChI=1S/C30H40O4/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(31)32)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22-16-19(3)27(33)34-22/h9,16-17,21,23-24H,1,4,8,10-15H2,2-3,5-7H3,(H,31,32)/b22-17-/t21-,23+,24+,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O,C30H40O4,,464.29265976,DYOXXVQSGJXSDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,2,8.405066847801208 5430,9157,909,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48081467,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,2,8.923258662223816 5431,9156,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7699969,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.579987525939941 5432,9154,1,Terpenoids,Steroids,Monoalkylresorcinols,0.26776847,ISDB,WOVLRQSWILBDQL-HFVCXBPMSA-N,"InChI=1S/C22H30O3/c1-13(25-4)20-19(24)12-18-16-6-5-14-11-15(23)7-9-21(14,2)17(16)8-10-22(18,20)3/h11,16-18H,5-10,12H2,1-4H3/b20-13-/t16-,17+,18+,21+,22+/m1/s1",CO/C(C)=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C22H30O3,,342.21949482,WOVLRQSWILBDQL,Terpenoids,Steroids,Pregnane steroids,Commiphora wightii,968492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora wightii'],3,2,5.071073889732361 5433,9152,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42454842,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.198193669319153 5434,9151,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7711369,ISDB,UOLUQSRSSLEMQA-POFXHGHASA-N,"InChI=1S/C22H36O3/c1-4-24-18-19(2)9-5-10-22(14-25-18)16(19)8-11-21-12-15(6-7-17(21)22)20(3,23)13-21/h15-18,23H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20-,21+,22+/m1/s1",CCO[C@H]1OC[C@@]23CCC[C@]1(C)[C@H]2CC[C@@]12C[C@@H](CC[C@H]13)[C@](C)(O)C2,C22H36O3,,348.266445012,UOLUQSRSSLEMQA,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,2,8.084547519683838 5435,9150,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7747531,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,10.59901237487793 5436,9148,92,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49031395,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.4612557888031 5437,9148,92,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49031395,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.4612557888031 5438,9146,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.62479806,ISDB,GPFVBJYXFRIOFB-HNBVOPMISA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,9.999192237854004 5439,9145,1065,Fatty acids,Fatty esters,Oxo fatty acids,0.0,MS1_match,JXIPHZPDGBLKPU-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2-10,12-13,15-16H2,1H3,(H,20,21)",CCCCCCCCC#CC(=O)CCCCCCC(=O)O,C18H30O3,pos_1_1proton1methanol,294.21949482,JXIPHZPDGBLKPU,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Hibiscus rosa-sinensis,378513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus rosa-sinensis'],6,3,7.5 5440,9145,1065,Fatty acids,Fatty esters,Oxo fatty acids,0.0,MS1_match,LSUMEQDCJHSTCL-UHFFFAOYSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-10,12-13,15-16H2,1H3,(H,20,21)",CCCCCCC#CC(=O)CCCCCCCCC(=O)O,C18H30O3,pos_1_1proton1methanol,294.21949482,LSUMEQDCJHSTCL,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Hibiscus rosa-sinensis,378513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus rosa-sinensis'],6,3,7.5 5441,9144,3171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,2,8.0 5442,9143,249,Terpenoids,Steroids,Cardenolides,0.571031,ISDB,KGQOHECLTONQOT-HKFGFSCZSA-N,"InChI=1S/C28H34O3/c1-17-8-9-28(16-29)13-12-26(4)22-7-6-19-18(2)24(31)21(30)15-20(19)25(22,3)10-11-27(26,5)23(28)14-17/h6-7,15-16,23,31H,1,8-14H2,2-5H3/t23-,25-,26+,27-,28+/m0/s1",C=C1CC[C@]2(C=O)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C28H34O3,,418.250794948,KGQOHECLTONQOT,Terpenoids,Triterpenoids,,Salacia kraussii,981087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia kraussii'],3,1,5.78412389755249 5443,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Aspidosperma polyneuron,326064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Aspidospermateae'],['Aspidosperma'],['Aspidosperma polyneuron'],3,1,6.43061637878418 5444,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-UHFFFAOYSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3",CCC12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia officinalis,7053209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia officinalis'],3,1,6.43061637878418 5445,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia arborea,82771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia arborea'],3,1,6.43061637878418 5446,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-IBGZPJMESA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m0/s1",CC[C@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Kopsia profunda,6068082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Kopsia'],['Kopsia profunda'],3,1,6.43061637878418 5447,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Rhazya stricta,618442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Amsonieae'],['Rhazya'],['Rhazya stricta'],3,1,6.43061637878418 5448,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Aspidosperma quebracho-blanco,619034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Aspidospermateae'],['Aspidosperma'],['Aspidosperma quebracho-blanco'],3,1,6.43061637878418 5449,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Tabernaemontana grandiflora,129616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana grandiflora'],3,1,6.43061637878418 5450,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Hunteria umbellata,516429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Hunterieae'],['Hunteria'],['Hunteria umbellata'],3,1,6.43061637878418 5451,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Vinca erecta,6068172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Vinca'],['Vinca erecta'],3,1,6.43061637878418 5452,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Gonioma kamassi,722336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Hunterieae'],['Gonioma'],['Gonioma kamassi'],3,1,6.43061637878418 5453,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Melodinus fusiformis,194019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Melodineae'],['Melodinus'],['Melodinus fusiformis'],3,1,6.43061637878418 5454,9140,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.7326541,ISDB,FDNDLNFGITWTOZ-LJQANCHMSA-N,"InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1",CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)CC1)C2,C19H26N2,,282.209598832,FDNDLNFGITWTOZ,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Vinca minor,142101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Vinca'],['Vinca minor'],3,1,6.43061637878418 5455,9139,100,Terpenoids,Sesquiterpenoids,Silphiperfolane sesquiterpenoids,0.24400502,ISDB,BQCNGCWFJFGEPR-IBSJHALGSA-N,"InChI=1S/C26H40O7/c1-6-14(2)23(30)33-22-21(29)20(28)19(12-27)32-24(22)31-13-17-11-25(5)9-8-18-15(3)7-10-26(18,25)16(17)4/h6,11,15-16,18-22,24,27-29H,7-10,12-13H2,1-5H3/b14-6-/t15-,16-,18+,19-,20-,21+,22-,24-,25+,26-/m1/s1",C/C=C(/C)C(=O)O[C@H]1[C@H](OCC2=C[C@]3(C)CC[C@H]4[C@H](C)CC[C@@]43[C@@H]2C)O[C@H](CO)[C@@H](O)[C@@H]1O,C26H40O7,,464.27740362,BQCNGCWFJFGEPR,Terpenoids,Sesquiterpenoids,Silphiperfolane sesquiterpenoids,Osteospermum rigidum,5920655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Osteospermum'],['Osteospermum rigidum'],4,3,6.476020097732544 5456,9138,1124,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33482406,ISDB,UAEUNTXALQHLMF-UWJYYQICSA-N,"InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)24-5)7-8-17-13(3)15(20(22)23)10-11-21(17,18)4/h6,9,12,17H,7-8,10-11H2,1-5H3,(H,22,23)/t17-,21-/m0/s1",COc1c(C(C)C)ccc2c1CC[C@H]1C(C)=C(C(=O)O)CC[C@]21C,C21H28O3,,328.203844756,UAEUNTXALQHLMF,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],3,3,5.839296221733093 5457,9138,1124,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33482406,ISDB,UAEUNTXALQHLMF-UHFFFAOYSA-N,"InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)24-5)7-8-17-13(3)15(20(22)23)10-11-21(17,18)4/h6,9,12,17H,7-8,10-11H2,1-5H3,(H,22,23)",COc1c(C(C)C)ccc2c1CCC1C(C)=C(C(=O)O)CCC21C,C21H28O3,,328.203844756,UAEUNTXALQHLMF,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium hypoglaucum,906992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium hypoglaucum'],3,3,5.839296221733093 5458,9135,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.22451705,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,9.398068189620972 5459,9134,-1,,,,0.40478504,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,4.619140148162842 5460,9133,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38039622,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.021584868431091 5461,9133,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38039622,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.021584868431091 5462,9132,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54097575,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.663902997970581 5463,9130,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9220358,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],1,3,6.188143253326416 5464,9130,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9220358,ISDB,MGUTYWPZCZBAGE-JZDIRDTQSA-N,"InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,C44H78NO8P,,779.546505086,MGUTYWPZCZBAGE,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],1,3,6.188143253326416 5465,9129,-1,,,,0.67612183,ISDB,JDYQUVYFBYLQIM-CNNODRBYSA-N,"InChI=1S/C22H34O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h8,14,18-19H,7,9-13H2,1-6H3/t18-,19-,22+/m0/s1",CC(=O)OC(C)(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C22H34O2,,330.255880328,JDYQUVYFBYLQIM,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,0,7.704487323760986 5466,9128,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5612557,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.745022773742676 5467,9128,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5612557,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.745022773742676 5468,9128,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5612557,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.745022773742676 5469,9128,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5612557,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.745022773742676 5470,9128,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5612557,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.745022773742676 5471,9127,-1,,,,0.6062467,ISDB,FHQFHRASDOFLIP-KZCGNWQISA-N,"InChI=1S/C30H42N2O5S/c1-19-3-6-25(22-9-12-37-16-22)32-23(19)7-10-29(28(32)34)17-30(38(35)18-29)13-26-20(2)4-5-24(21-8-11-36-15-21)31(26)27(33)14-30/h8-9,11-12,15-16,19-20,23-28,33-34H,3-7,10,13-14,17-18H2,1-2H3/t19-,20+,23-,24-,25+,26-,27-,28+,29+,30+,38-/m0/s1",C[C@@H]1CC[C@@H](c2ccoc2)N2[C@@H](O)C[C@]3(C[C@@H]12)C[C@]1(CC[C@H]2[C@@H](C)CC[C@H](c4ccoc4)N2[C@@H]1O)C[S@+]3[O-],C30H42N2O5S,,542.281443444,FHQFHRASDOFLIP,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Nuphar lutea,440936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Nymphaeales'],['Nymphaeaceae'],['Unknown'],['Nuphar'],['Nuphar lutea'],4,0,6.424986839294434 5472,9123,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.4579353,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.331741213798523 5473,9123,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.4579353,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.331741213798523 5474,9122,3193,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6791006,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.216402292251587 5475,9121,-1,,,,0.21211295,ISDB,NFRXSIOHGADFRG-MEMZBLDGSA-N,"InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C,C30H48O,,424.3705161559999,NFRXSIOHGADFRG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,0,5.848451793193817 5476,9115,74,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34540418,ISDB,PIJPSWNOKIPSCP-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,16-17,20-21H,5,8-9,11H2,1-4H3",CC(C)c1ccc2c(c1)C(O)CC1C(C)(O)CCCC21C,C19H28O2,,288.208930136,PIJPSWNOKIPSCP,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,8.881616711616516 5477,9112,-1,,,,0.26704624,ISDB,,,,,,,PSBVOOFDCUCSOT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0681849718093872 5478,9111,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5075778,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.530311107635498 5479,9108,654,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,QLGBFSDOQQJBPS-BWDLCDSDSA-N,"InChI=1S/C42H50O15/c1-24(43)52-14-10-11-30-17-35(41(56-28(5)47)39(20-30)50-8)36-18-32(21-40(51-9)42(36)57-29(6)48)16-34(23-54-26(3)45)33(22-53-25(2)44)15-31-12-13-37(55-27(4)46)38(19-31)49-7/h10-13,17-21,33-34,39,41H,14-16,22-23H2,1-9H3/b11-10+/t33-,34+,39-,41+/m0/s1",COc1cc(C[C@@H](COC(C)=O)[C@@H](COC(C)=O)Cc2cc(OC)c(OC(C)=O)c(C3=CC(/C=C/COC(C)=O)=C[C@H](OC)[C@@H]3OC(C)=O)c2)ccc1OC(C)=O,C42H50O15,pos_2_2proton2acetonitrile,794.3149709,QLGBFSDOQQJBPS,Shikimates and Phenylpropanoids,,,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,1,6.5 5480,9107,171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.38218266,ISDB,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,3,8.028730630874634 5481,9106,-1,,,,0.40428552,ISDB,,,,,,,MMLMIHCLJNONNC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6171420812606812 5482,9104,57,Terpenoids,Steroids,Cardenolides,0.49884164,ISDB,RPBYNKFFNMBQPP-MUHABPMWSA-N,"InChI=1S/C31H46O13/c1-14-8-24(41-19(6)34)30(12-38-17(4)32)22(29(14,7)23-9-20-10-25(36)43-28(20)42-23)11-21(35)26(31(30)13-39-31)44-27(37)15(2)16(3)40-18(5)33/h14-16,20-26,28,35-36H,8-13H2,1-7H3/t14-,15-,16+,20+,21-,22-,23+,24+,25+,26+,28-,29+,30+,31-/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C[C@@H](O)O[C@H]4O3)[C@H]1C[C@@H](O)[C@H](OC(=O)[C@H](C)[C@H](C)OC(C)=O)[C@]21CO1,C31H46O13,,626.293841532,RPBYNKFFNMBQPP,Terpenoids,,,Ajuga chamaepitys,382256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga chamaepitys'],4,1,6.49536657333374 5483,9102,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6588907,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6355628967285156 5484,9098,3193,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.679658,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.218631982803345 5485,9094,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.71800154,ISDB,BVELDVCZJFBEBH-UQVNRYHBSA-N,"InChI=1S/C21H30O3/c1-12(2)13-9-14-15(10-16(13)22)21(4)8-6-7-20(3)11-24-18(19(20)21)17(14)23-5/h9-10,12,17-19,22H,6-8,11H2,1-5H3/t17-,18-,19-,20-,21+/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCC[C@@]3(C)CO[C@@H]1[C@@H]32,C21H30O3,,330.21949482,BVELDVCZJFBEBH,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.372006177902222 5486,9093,879,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.39307925,ISDB,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.072317004203796 5487,9092,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5492951,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.69718050956726 5488,9091,91,Terpenoids,Triterpenoids,Lupane triterpenoids,0.46248686,ISDB,MHAVMNJPXLZEIG-CNRMHUMKSA-N,"InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O2,,438.349780712,MHAVMNJPXLZEIG,Terpenoids,Triterpenoids,Lupane triterpenoids,Quercus suber,272709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus suber'],5,3,8.349947452545166 5489,9087,-1,,,,0.0,MS1_match,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 5490,9087,-1,,,,0.0,MS1_match,IVWHYNKOPOPMJS-NIWGLMRLSA-N,"InChI=1S/C30H50O5/c1-19(2)20-10-16-28(6)23(27(20,5)15-12-24(32)33)18-22(31)25-21(11-17-29(25,28)7)30(8,35)14-9-13-26(3,4)34/h9,13,20-23,25,31,34-35H,1,10-12,14-18H2,2-8H3,(H,32,33)/b13-9+/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,IVWHYNKOPOPMJS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 5491,9086,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54746586,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.689863443374634 5492,9084,-1,,,,0.0,MS1_match,FVTMFCOOGHXVFJ-ARSOFFGTSA-N,"InChI=1S/C30H50O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h9,13,19-22,24,31,33-34H,10-12,14-18H2,1-8H3/b13-9+/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C30H50O4,pos_1_1sodium,474.37091008,FVTMFCOOGHXVFJ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5493,9080,3132,,,,0.20301591,ISDB,WDCPBTBFNJOCCY-CJYCOGIDSA-N,"InChI=1S/C39H74O21/c1-40-16-21(44-5)26(46-7)29(59-38-35(53-14)31(49-10)27(47-8)23(57-38)17-41-2)22(45-6)20-55-37-34(52-13)33(51-12)30(25(56-37)19-43-4)60-39-36(54-15)32(50-11)28(48-9)24(58-39)18-42-3/h21-39H,16-20H2,1-15H3/t21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-/m0/s1",COC[C@H](OC)[C@@H](OC)[C@H](O[C@@H]1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC)[C@@H](CO[C@@H]1O[C@H](COC)[C@@H](O[C@@H]2O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC)OC,C39H74O21,,878.472259388,WDCPBTBFNJOCCY,,,,Rhizobium phaseoli,616935.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhizobiales'],['Rhizobiaceae'],['Unknown'],['Rhizobium'],['Rhizobium phaseoli'],0,0,0.8120636343955994 5494,9079,76,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,0.2015418,ISDB,RPOTZDWYDMWJPW-OGMIEYOFSA-N,"InChI=1S/C46H62O9/c1-28(17-13-19-30(3)21-23-34-32(5)39(49)36(48)25-45(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)40(50)37(26-46(35,9)10)54-44-43(53)42(52)41(51)38(27-47)55-44/h11-24,36-38,41-44,47-48,51-53H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t36-,37-,38+,41+,42-,43+,44+/m0/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,C46H62O9,,758.439383564,RPOTZDWYDMWJPW,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Agrobacterium aurantiacum,606170.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Alphaproteobacteria'],['Rhizobiales'],['Rhizobiaceae'],['Unknown'],['Rhizobium'],['Agrobacterium aurantiacum'],0,1,1.306167185306549 5495,9076,1234,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7163593,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.365437269210815 5496,9076,1234,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7163593,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.365437269210815 5497,9075,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.24194409,ISDB,QINXJSIKYUBGSE-WCGIQSCQSA-N,"InChI=1S/C19H28O4/c1-10-11-5-6-13-18(4)12(7-8-19(13,9-11)14(10)20)17(2,3)15(21)23-16(18)22/h11-14,16,20,22H,1,5-9H2,2-4H3/t11-,12?,13?,14+,16-,18-,19-/m1/s1",C=C1[C@@H]2CCC3[C@@](CCC4C(C)(C)C(=O)O[C@@H](O)[C@]43C)(C2)[C@H]1O,C19H28O4,,320.198759376,QINXJSIKYUBGSE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],3,3,5.467776358127594 5498,9071,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.64416206,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,2,10.576648235321045 5499,9071,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.64416206,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,2,10.576648235321045 5500,9070,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76579434,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.5631773471832275 5501,9070,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76579434,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.5631773471832275 5502,9070,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76579434,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.5631773471832275 5503,9070,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76579434,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.5631773471832275 5504,9070,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76579434,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.5631773471832275 5505,9069,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ethylamine,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5506,9069,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ethylamine,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5507,9069,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ethylamine,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5508,9069,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ethylamine,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5509,9069,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ethylamine,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5510,9069,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ethylamine,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5511,9068,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ammonium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5512,9068,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ammonium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5513,9068,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ammonium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5514,9068,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ammonium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5515,9068,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ammonium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5516,9068,-1,,,,0.0,MS1_match,ZKBGKWZSOPPDSD-ZFQFSHTNSA-N,"InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O4,pos_1_1proton1ammonium,474.3709100799999,ZKBGKWZSOPPDSD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 5517,9068,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_1proton1ethylamine,446.339609952,RQJUAEBONLZLLI,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 5518,9068,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_1proton1ethylamine,446.339609952,RQJUAEBONLZLLI,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 5519,9067,-1,,,,0.65773386,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,0,6.630935430526733 5520,9067,-1,,,,0.65773386,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,0,6.630935430526733 5521,9067,-1,,,,0.65773386,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,0,6.630935430526733 5522,9067,-1,,,,0.65773386,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.630935430526733 5523,9067,-1,,,,0.65773386,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,0,6.630935430526733 5524,9067,-1,,,,0.65773386,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,0,6.630935430526733 5525,9067,-1,,,,0.65773386,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,0,6.630935430526733 5526,9066,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.90230036,ISDB,HIRCZOSUMSSTDU-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h5-7,12H,8-10H2,1-4H3",CC1=CCC2(C)CC=CC(C)(C)C23CC13,C15H22,,202.172150704,HIRCZOSUMSSTDU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Cupressus bakeri,828751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Hesperocyparis'],['Hesperocyparis bakeri'],5,2,9.609201431274414 5527,9066,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.90230036,ISDB,HIRCZOSUMSSTDU-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h5-7,12H,8-10H2,1-4H3",CC1=CCC2(C)CC=CC(C)(C)C23CC13,C15H22,,202.172150704,HIRCZOSUMSSTDU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Widdringtonia whytei,305714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Widdringtonia'],['Widdringtonia whytei'],5,2,9.609201431274414 5528,9062,-1,,,,0.24392898,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,5.975715935230255 5529,9061,-1,,,,0.7164873,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,0,5.8659491539001465 5530,9057,-1,,,,0.0,MS1_match,OIWXAKXWTNBOBE-VHUJVSOESA-N,"InChI=1S/C37H54O4/c1-24(2)11-8-12-25(3)13-9-14-26(4)15-10-21-37(7)22-20-31-34-32(29-16-18-30(38)19-17-29)23-33(39)40-36(34)28(6)27(5)35(31)41-37/h16-19,24-26,32,38H,8-15,20-23H2,1-7H3/t25-,26-,32+,37+/m0/s1",Cc1c(C)c2c(c3c1O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC3)[C@@H](c1ccc(O)cc1)CC(=O)O2,C37H54O4,pos_1_minus1proton1calcium,562.402210208,OIWXAKXWTNBOBE,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 5531,9055,-1,,,,0.0,MS1_match,OMNJRQNCWHCCBZ-BULWIKRESA-N,"InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C22H34O4,pos_1_1proton1ammonium,362.245709568,OMNJRQNCWHCCBZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,0,7.0 5532,9054,161,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.6837586,ISDB,PCLDEDSUWNZZDJ-BDBJVFIPSA-N,"InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16+,17-,19-,20+/m1/s1",C=C1CC[C@H]2[C@@]3(C)C[C@H]3CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O2,,302.2245802,PCLDEDSUWNZZDJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,11.235034465789795 5533,9052,-1,,,,0.32694197,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,5.307767868041992 5534,9052,-1,,,,0.32694197,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,5.307767868041992 5535,9052,-1,,,,0.32694197,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,0,5.307767868041992 5536,9050,-1,,,,0.0,MS1_match,OMNJRQNCWHCCBZ-BULWIKRESA-N,"InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C22H34O4,pos_2MH,362.245709568,OMNJRQNCWHCCBZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,0,7.0 5537,9047,-1,,,,0.0,MS1_match,OMNJRQNCWHCCBZ-BULWIKRESA-N,"InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C22H34O4,pos_1_1sodium,362.245709568,OMNJRQNCWHCCBZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,0,7.0 5538,9044,255,Terpenoids,Triterpenoids,Ergostane steroids,0.58997613,ISDB,JQVANXRIXMMSKB-LXZIDKIQSA-N,"InChI=1S/C27H34O4/c1-16-11-12-20-21(26(20,4)5)14-17(2)24(29)27(15-18(3)23(28)22(27)13-16)31-25(30)19-9-7-6-8-10-19/h6-10,13-14,18,20-23,28H,11-12,15H2,1-5H3/b16-13+,17-14+/t18-,20-,21+,22-,23-,27+/m0/s1",C/C1=C\[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(=O)c2ccccc2)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C,C27H34O4,,422.245709568,JQVANXRIXMMSKB,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],3,1,5.859904527664185 5539,9043,255,Terpenoids,Triterpenoids,Ergostane steroids,0.5885358,ISDB,JQVANXRIXMMSKB-LXZIDKIQSA-N,"InChI=1S/C27H34O4/c1-16-11-12-20-21(26(20,4)5)14-17(2)24(29)27(15-18(3)23(28)22(27)13-16)31-25(30)19-9-7-6-8-10-19/h6-10,13-14,18,20-23,28H,11-12,15H2,1-5H3/b16-13+,17-14+/t18-,20-,21+,22-,23-,27+/m0/s1",C/C1=C\[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(=O)c2ccccc2)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C,C27H34O4,,422.245709568,JQVANXRIXMMSKB,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],3,1,5.854143142700195 5540,9042,654,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.20341696,ISDB,HTVCZGDEKPMUHH-GHRIWEEISA-N,"InChI=1S/C27H36O5/c1-7-10-19-15-21(28)32-27-22(19)25(30)20(14-13-17(5)12-9-11-16(3)4)26(31)23(27)24(29)18(6)8-2/h11,13,15,18,30-31H,7-10,12,14H2,1-6H3/b17-13+",CCCc1cc(=O)oc2c(C(=O)C(C)CC)c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c12,C27H36O5,,440.2562742519999,HTVCZGDEKPMUHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mammea suriga,3915304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Mammea'],['Mammea suriga'],3,1,4.313667833805084 5541,9041,-1,,,,0.26311818,ISDB,OWSWXCJWFTUXHT-ZIXDVAMOSA-N,"InChI=1S/C61H111N11O13/c1-19-22-23-24-25-26-28-39(6)53(81)72-30-27-29-46(72)51(79)65-45(34-37(4)33-44(75)35-43(74)21-3)50(78)63-41(8)48(76)67-61(16,17)57(85)70-59(12,13)55(83)66-47(38(5)20-2)52(80)64-42(9)49(77)68-60(14,15)56(84)69-58(10,11)54(82)62-40(7)36-71(18)31-32-73/h37-42,44-47,73,75H,19-36H2,1-18H3,(H,62,82)(H,63,78)(H,64,80)(H,65,79)(H,66,83)(H,67,76)(H,68,77)(H,69,84)(H,70,85)/t37-,38+,39-,40+,41+,42+,44+,45+,46-,47+/m1/s1",CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO)[C@@H](C)CC,C61H111N11O13,,1205.836282612,OWSWXCJWFTUXHT,Amino acids and Peptides,Oligopeptides,Peptaibols,Trichoderma polysporum,3798177.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Hypocreaceae'],['Unknown'],['Hypocrea'],['Trichoderma polysporum'],1,0,2.052472710609436 5542,9040,-1,,,,0.23547164,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9418865442276001 5543,9036,1030,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6255683,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],4,3,8.002273082733154 5544,9035,-1,,,,0.0,MS1_match,DOFDCROREKDHFQ-WBKKBJJFSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,21,23-24H,1,3-4,8,10-17H2,2,5-7H3,(H,32,33)(H,34,35)/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@]1(C)CCC(=C)[C@]12CC[C@@H]1C2=CC[C@@H](C(=C)C)[C@]1(C)CCC(=O)O)C(=O)O,C30H42O5,pos_1_1potassium,482.3032244439999,DOFDCROREKDHFQ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 5545,9035,-1,,,,0.0,MS1_match,RRZXBKFWEUHLJD-CBPKAQPESA-N,"InChI=1S/C30H42O5/c1-18(2)21-8-9-23-22(28(21,6)13-12-25(31)32)10-11-24-27(5,14-15-29(23,24)7)20(4)17-30(34)16-19(3)26(33)35-30/h9,11,16,20-22,34H,1,8,10,12-15,17H2,2-7H3,(H,31,32)/t20-,21+,22-,27+,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@]2(O)C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1potassium,482.303224444,RRZXBKFWEUHLJD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 5546,9035,-1,,,,0.0,MS1_match,HLUQVXLYUWTXKM-MSJFBWTKSA-N,"InChI=1S/C30H42O5/c1-16(12-18-13-17(2)26(34)35-18)19-8-11-29(6)25-20(31)14-22-27(3,4)23(33)9-10-28(22,5)24(25)21(32)15-30(19,29)7/h13,16,18-19,22-23,33H,8-12,14-15H2,1-7H3/t16-,18-,19-,22+,23-,28+,29+,30-/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H42O5,pos_1_1potassium,482.303224444,HLUQVXLYUWTXKM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 5547,9035,-1,,,,0.0,MS1_match,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1potassium,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 5548,9035,-1,,,,0.0,MS1_match,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1potassium,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,6.0 5549,9035,-1,,,,0.0,MS1_match,LHSOCAVBGDWGDG-LVTJUSHNSA-N,"InChI=1S/C30H42O5/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(32)33)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21(31)16-19(3)27(34)35/h8-9,16,20,23-24H,1,10-15,17H2,2-7H3,(H,32,33)(H,34,35)/b19-16+/t20-,23-,24-,28+,29+,30-/m1/s1",C=C(C)[C@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1potassium,482.303224444,LHSOCAVBGDWGDG,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 5550,9034,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.58356804,ISDB,BBPXZLJCPUPNGH-UHFFFAOYSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3",CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies grandis,343179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies grandis'],6,3,9.834272146224976 5551,9034,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.58356804,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.834272146224976 5552,9032,3615,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6749339,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.199735641479492 5553,9032,3615,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6749339,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.199735641479492 5554,9032,3615,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6749339,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.199735641479492 5555,9032,3615,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6749339,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.199735641479492 5556,9032,3615,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6749339,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.199735641479492 5557,9031,-1,,,,0.6844302,ISDB,SYYHBUHOUUETMI-WJOMMTHPSA-N,"InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C27H42O4,,430.308309824,SYYHBUHOUUETMI,Terpenoids,Steroids,Spirostane steroids,Trillium kamtschaticum,76103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium camschatcense'],4,0,6.737720727920532 5558,9031,-1,,,,0.6844302,ISDB,SYYHBUHOUUETMI-WJOMMTHPSA-N,"InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C27H42O4,,430.308309824,SYYHBUHOUUETMI,Terpenoids,Steroids,Spirostane steroids,Dioscorea bulbifera,856715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea bulbifera'],4,0,6.737720727920532 5559,9031,-1,,,,0.6844302,ISDB,SYYHBUHOUUETMI-WJOMMTHPSA-N,"InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C27H42O4,,430.308309824,SYYHBUHOUUETMI,Terpenoids,Steroids,Spirostane steroids,Polygonatum stenophyllum,676689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Polygonatum'],['Polygonatum stenophyllum'],4,0,6.737720727920532 5560,9031,-1,,,,0.6844302,ISDB,SYYHBUHOUUETMI-WJOMMTHPSA-N,"InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C27H42O4,,430.308309824,SYYHBUHOUUETMI,Terpenoids,Steroids,Spirostane steroids,Dracaena cambodiana,330864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Dracaena'],['Dracaena cambodiana'],4,0,6.737720727920532 5561,9031,-1,,,,0.6844302,ISDB,SYYHBUHOUUETMI-WJOMMTHPSA-N,"InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C27H42O4,,430.308309824,SYYHBUHOUUETMI,Terpenoids,Steroids,Spirostane steroids,Dioscorea composita,609035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea composita'],4,0,6.737720727920532 5562,9031,-1,,,,0.6844302,ISDB,SYYHBUHOUUETMI-WJOMMTHPSA-N,"InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C27H42O4,,430.308309824,SYYHBUHOUUETMI,Terpenoids,Steroids,Spirostane steroids,Paris polyphylla var. chinensis,329813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Paris'],['Paris polyphylla'],4,0,6.737720727920532 5563,9031,-1,,,,0.6844302,ISDB,SYYHBUHOUUETMI-UHFFFAOYSA-N,"InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3",CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C,C27H42O4,,430.30830982399993,SYYHBUHOUUETMI,Terpenoids,Steroids,Spirostane steroids,Paris polyphylla,597425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Paris'],['Paris polyphylla'],4,0,6.737720727920532 5564,9031,-1,,,,0.6844302,ISDB,SYYHBUHOUUETMI-WJOMMTHPSA-N,"InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C27H42O4,,430.308309824,SYYHBUHOUUETMI,Terpenoids,Steroids,Spirostane steroids,Trillium camschatcense,76103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium camschatcense'],4,0,6.737720727920532 5565,9026,57,Terpenoids,Steroids,Cardenolides,0.41248855,ISDB,OUHBYYBQUGDHFT-UWPMIZSJSA-N,"InChI=1S/C37H58O14/c1-18-29(51-32-28(42)27(41)26(40)24(16-38)50-32)30(45-4)31(46-5)33(48-18)49-20-6-10-34(2)22-7-11-35(3)21(19-14-25(39)47-17-19)9-13-37(35,44)23(22)8-12-36(34,43)15-20/h14,18,20-24,26-33,38,40-44H,6-13,15-17H2,1-5H3/t18-,20+,21-,22+,23-,24-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+/m1/s1",CO[C@H]1[C@H](OC)[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C37H58O14,,726.382656536,OUHBYYBQUGDHFT,Terpenoids,Steroids,Cardenolides,Streblus asper,475273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Streblus'],['Streblus asper'],5,3,8.149954199790955 5566,9023,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-UWTATZPHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",O=C(O)[C@H](O)CO,C3H6O4,pos_1_minus1proton1calcium,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5567,9022,-1,,,,0.0,MS1_match,DOFDCROREKDHFQ-WBKKBJJFSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,21,23-24H,1,3-4,8,10-17H2,2,5-7H3,(H,32,33)(H,34,35)/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@]1(C)CCC(=C)[C@]12CC[C@@H]1C2=CC[C@@H](C(=C)C)[C@]1(C)CCC(=O)O)C(=O)O,C30H42O5,pos_2MNa,482.3032244439999,DOFDCROREKDHFQ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 5568,9022,-1,,,,0.0,MS1_match,RRZXBKFWEUHLJD-CBPKAQPESA-N,"InChI=1S/C30H42O5/c1-18(2)21-8-9-23-22(28(21,6)13-12-25(31)32)10-11-24-27(5,14-15-29(23,24)7)20(4)17-30(34)16-19(3)26(33)35-30/h9,11,16,20-22,34H,1,8,10,12-15,17H2,2-7H3,(H,31,32)/t20-,21+,22-,27+,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@]2(O)C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O,C30H42O5,pos_2MNa,482.303224444,RRZXBKFWEUHLJD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 5569,9022,-1,,,,0.0,MS1_match,HLUQVXLYUWTXKM-MSJFBWTKSA-N,"InChI=1S/C30H42O5/c1-16(12-18-13-17(2)26(34)35-18)19-8-11-29(6)25-20(31)14-22-27(3,4)23(33)9-10-28(22,5)24(25)21(32)15-30(19,29)7/h13,16,18-19,22-23,33H,8-12,14-15H2,1-7H3/t16-,18-,19-,22+,23-,28+,29+,30-/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H42O5,pos_2MNa,482.303224444,HLUQVXLYUWTXKM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 5570,9022,-1,,,,0.0,MS1_match,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,pos_2MNa,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 5571,9022,-1,,,,0.0,MS1_match,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,pos_2MNa,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,6.0 5572,9022,-1,,,,0.0,MS1_match,LHSOCAVBGDWGDG-LVTJUSHNSA-N,"InChI=1S/C30H42O5/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(32)33)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21(31)16-19(3)27(34)35/h8-9,16,20,23-24H,1,10-15,17H2,2-7H3,(H,32,33)(H,34,35)/b19-16+/t20-,23-,24-,28+,29+,30-/m1/s1",C=C(C)[C@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O,C30H42O5,pos_2MNa,482.303224444,LHSOCAVBGDWGDG,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 5573,9021,-1,,,,0.0,MS1_match,DOFDCROREKDHFQ-WBKKBJJFSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,21,23-24H,1,3-4,8,10-17H2,2,5-7H3,(H,32,33)(H,34,35)/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@]1(C)CCC(=C)[C@]12CC[C@@H]1C2=CC[C@@H](C(=C)C)[C@]1(C)CCC(=O)O)C(=O)O,C30H42O5,pos_1_1sodium,482.3032244439999,DOFDCROREKDHFQ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 5574,9021,-1,,,,0.0,MS1_match,RRZXBKFWEUHLJD-CBPKAQPESA-N,"InChI=1S/C30H42O5/c1-18(2)21-8-9-23-22(28(21,6)13-12-25(31)32)10-11-24-27(5,14-15-29(23,24)7)20(4)17-30(34)16-19(3)26(33)35-30/h9,11,16,20-22,34H,1,8,10,12-15,17H2,2-7H3,(H,31,32)/t20-,21+,22-,27+,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@]2(O)C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1sodium,482.303224444,RRZXBKFWEUHLJD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 5575,9021,-1,,,,0.0,MS1_match,HLUQVXLYUWTXKM-MSJFBWTKSA-N,"InChI=1S/C30H42O5/c1-16(12-18-13-17(2)26(34)35-18)19-8-11-29(6)25-20(31)14-22-27(3,4)23(33)9-10-28(22,5)24(25)21(32)15-30(19,29)7/h13,16,18-19,22-23,33H,8-12,14-15H2,1-7H3/t16-,18-,19-,22+,23-,28+,29+,30-/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H42O5,pos_1_1sodium,482.303224444,HLUQVXLYUWTXKM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 5576,9021,-1,,,,0.0,MS1_match,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1sodium,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 5577,9021,-1,,,,0.0,MS1_match,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1sodium,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,6.0 5578,9021,-1,,,,0.0,MS1_match,LHSOCAVBGDWGDG-LVTJUSHNSA-N,"InChI=1S/C30H42O5/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(32)33)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21(31)16-19(3)27(34)35/h8-9,16,20,23-24H,1,10-15,17H2,2-7H3,(H,32,33)(H,34,35)/b19-16+/t20-,23-,24-,28+,29+,30-/m1/s1",C=C(C)[C@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1sodium,482.303224444,LHSOCAVBGDWGDG,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 5579,9020,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41933456,ISDB,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,9.177338242530823 5580,9020,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41933456,ISDB,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,3,9.177338242530823 5581,9019,327,Amino acids and Peptides,Triterpenoids,Cyclic peptides,0.42470595,ISDB,WTFVTPDZPCKVCO-FPSIIMKOSA-N,"InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1",C/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,C24H38N4O4,,446.289305696,WTFVTPDZPCKVCO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Aspergillus sclerotiorum,932281.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus sclerotiorum'],1,3,4.198823809623718 5582,9018,327,Amino acids and Peptides,Triterpenoids,Cyclic peptides,0.4818415,ISDB,HMXDFLALTRZBII-GLTUQPQBSA-N,"InChI=1S/C25H36N2O4/c1-7-8-12-17(4)23(28)26-21(16(2)3)25(30)27-20(15-19-13-10-9-11-14-19)22(31-6)18(5)24(27)29/h9-11,13-14,16-17,20-21H,7-8,12,15H2,1-6H3,(H,26,28)/t17?,20-,21+/m0/s1",CCCCC(C)C(=O)N[C@@H](C(=O)N1C(=O)C(C)=C(OC)[C@@H]1Cc1ccccc1)C(C)C,C25H36N2O4,,428.267507632,HMXDFLALTRZBII,Amino acids and Peptides,Small peptides,Dipeptides,Cyanobacterium,668147.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Cyanobacterium'],['Unknown'],0,1,2.427366018295288 5583,9017,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NWRAOEGVNDIBIM-PZVFIVNOSA-N,"InChI=1S/C36H56O8/c1-18(2)13-20-14-19(3)28-23(42-20)15-34(6)25-11-9-21-22(36(25,8)26(38)16-35(28,34)7)10-12-27(33(21,4)5)44-32-31(41)30(40)29(39)24(17-37)43-32/h9,13,19-20,22-25,27-32,37,39-41H,10-12,14-17H2,1-8H3/t19-,20+,22-,23-,24-,25+,27+,28+,29-,30+,31-,32+,34+,35-,36+/m1/s1",CC(C)=C[C@H]1C[C@@H](C)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1,C36H56O8,pos_1_minus1proton1iron,616.397518752,NWRAOEGVNDIBIM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Kageneckia angustifolia,782145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia angustifolia'],6,2,7.0 5584,9016,3247,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.4173075,ISDB,DYOXXVQSGJXSDF-ZAXMZARQSA-N,"InChI=1S/C30H40O4/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(31)32)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22-16-19(3)27(33)34-22/h9,16-17,21,23-24H,1,4,8,10-15H2,2-3,5-7H3,(H,31,32)/b22-17-/t21-,23+,24+,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O,C30H40O4,,464.29265976,DYOXXVQSGJXSDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,9.169229984283447 5585,9014,-1,,,,0.64229685,ISDB,DKFWEVHDRVCABW-JAXLGGSGSA-N,"InChI=1S/C22H32O3/c1-13(2)16-10-15-11-19(25-14(3)23)20-21(4,5)8-7-9-22(20,6)17(15)12-18(16)24/h10,12-13,19-20,24H,7-9,11H2,1-6H3/t19-,20-,22+/m0/s1",CC(=O)O[C@H]1Cc2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@H]12,C22H32O3,,344.235144884,DKFWEVHDRVCABW,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],5,0,7.56918740272522 5586,9013,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,DOFDCROREKDHFQ-WBKKBJJFSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,21,23-24H,1,3-4,8,10-17H2,2,5-7H3,(H,32,33)(H,34,35)/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(CC(=O)C[C@@H](C)[C@]1(C)CCC(=C)[C@]12CC[C@@H]1C2=CC[C@@H](C(=C)C)[C@]1(C)CCC(=O)O)C(=O)O,C30H42O5,pos_1_1proton1ammonium,482.3032244439999,DOFDCROREKDHFQ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 5587,9013,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,HLUQVXLYUWTXKM-MSJFBWTKSA-N,"InChI=1S/C30H42O5/c1-16(12-18-13-17(2)26(34)35-18)19-8-11-29(6)25-20(31)14-22-27(3,4)23(33)9-10-28(22,5)24(25)21(32)15-30(19,29)7/h13,16,18-19,22-23,33H,8-12,14-15H2,1-7H3/t16-,18-,19-,22+,23-,28+,29+,30-/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H42O5,pos_1_1proton1ammonium,482.303224444,HLUQVXLYUWTXKM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,7.5 5588,9013,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1proton1ammonium,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 5589,9013,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,CHXUEUOZCWRHTH-NSXZUBEWSA-N,"InChI=1S/C30H42O5/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(32)33)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22(31)16-19(3)27(34)35/h9,16,21,23-24H,1,4,8,10-15,17H2,2-3,5-7H3,(H,32,33)(H,34,35)/b19-16+/t21-,23+,24-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1proton1ammonium,482.3032244439999,CHXUEUOZCWRHTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,3,7.5 5590,9013,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,LHSOCAVBGDWGDG-LVTJUSHNSA-N,"InChI=1S/C30H42O5/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(32)33)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21(31)16-19(3)27(34)35/h8-9,16,20,23-24H,1,10-15,17H2,2-7H3,(H,32,33)(H,34,35)/b19-16+/t20-,23-,24-,28+,29+,30-/m1/s1",C=C(C)[C@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O,C30H42O5,pos_1_1proton1ammonium,482.303224444,LHSOCAVBGDWGDG,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,7.5 5591,9010,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.383103,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.032412052154541 5592,9008,1,Terpenoids,Steroids,Monoalkylresorcinols,0.2938341,ISDB,ZCSWAOOUEBJEKN-GVTRVFJVSA-N,"InChI=1S/C25H34O5/c1-3-15-5-9-20-19-7-4-14-12-16(30-24-23(28)22(27)21(26)13-29-24)6-8-17(14)18(19)10-11-25(15,20)2/h3,6,8,12,15,18-24,26-28H,1,4-5,7,9-11,13H2,2H3/t15-,18+,19+,20-,21-,22+,23-,24+,25+/m0/s1",C=C[C@H]1CC[C@H]2[C@@H]3CCc4cc(O[C@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)ccc4[C@H]3CC[C@]12C,C25H34O5,,414.240624188,ZCSWAOOUEBJEKN,Terpenoids,Steroids,Pregnane steroids,Scleronephthya pallida,3679423.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Scleronephthya'],['Scleronephthya pallida'],1,2,3.1753363609313965 5593,9004,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.23875721,ISDB,KVYUBFKSKZWZSV-GOSISDBHSA-N,"InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/t18-/m1/s1",CCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO,C19H36O4,,328.261359632,KVYUBFKSKZWZSV,Fatty acids,Glycerolipids,Monoacylglycerols,Ligularia nanchuanica,7051957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nanchuanica'],4,3,6.455028831958771 5594,9003,-1,,,,0.62861025,ISDB,QGXJTDHPWUQRFT-UHFFFAOYSA-N,"InChI=1S/C6H8O3/c1-6(5(7)8)3-2-4-9-6/h2,4H,3H2,1H3,(H,7,8)",CC1(C(=O)O)CC=CO1,C6H8O3,,128.047344116,QGXJTDHPWUQRFT,Terpenoids,Monoterpenoids,,Tamarindus indica,812370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Tamarindus'],['Tamarindus indica'],4,0,6.514441013336182 5595,9002,-1,,,,0.5649843,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.259937286376953 5596,9002,-1,,,,0.5649843,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,0,5.259937286376953 5597,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1methanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 5598,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1methanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 5599,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JAFZKPLEKRHFFD-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H44O8,pos_1_1proton1methanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 5600,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JAFZKPLEKRHFFD-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1O,C26H44O8,pos_1_1proton1methanol,484.303618368,JAFZKPLEKRHFFD,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 5601,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1methanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 5602,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1methanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus foliolatus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,2,7.0 5603,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,CWDBCXIAEGDANA-ZSBSBYQVSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26-/m1/s1",C=C1CC[C@@H]2[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO,C26H44O8,pos_1_1proton1methanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 5604,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,CWDBCXIAEGDANA-UHFFFAOYSA-N,"InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3",C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CCC(C)=CCO,C26H44O8,pos_1_1proton1methanol,484.303618368,CWDBCXIAEGDANA,Terpenoids,Diterpenoids,Labdane diterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 5605,9000,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,KCTSUIMXVGYXPH-GPANMQAPSA-N,"InChI=1S/C26H44O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19-,20+,21-,22-,24-,25+,26+/m1/s1",CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4,C26H44O8,pos_1_1proton1methanol,484.303618368,KCTSUIMXVGYXPH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,2,7.0 5606,8999,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4208639,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.683455586433411 5607,8999,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4208639,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.683455586433411 5608,8998,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 5609,8994,879,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.38271993,ISDB,WXHUQVMHWUQNTG-JSWHPQHOSA-N,"InChI=1S/C32H52O6/c1-18(16-23(35)27(29(5,6)37)38-19(2)33)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(36)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34-35,37H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1",CC(=O)O[C@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)C(C)(C)O,C32H52O6,,532.3763893839999,WXHUQVMHWUQNTG,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alisma,852506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Alismataceae'],['Unknown'],['Alisma'],['Unknown'],4,3,7.030879735946655 5610,8994,879,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.38271993,ISDB,WXHUQVMHWUQNTG-DIZWXHJHSA-N,"InChI=1S/C32H52O6/c1-18(16-23(35)27(29(5,6)37)38-19(2)33)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(36)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34-35,37H,10-17H2,1-9H3/t18-,22+,23+,24-,26+,27-,30+,31+,32+/m1/s1",CC(=O)O[C@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1)C(C)(C)O,C32H52O6,,532.376389384,WXHUQVMHWUQNTG,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alisma plantago-aquatica,484565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Alismataceae'],['Unknown'],['Alisma'],['Alisma plantago-aquatica'],4,3,7.030879735946655 5611,8994,879,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.38271993,ISDB,WXHUQVMHWUQNTG-UHFFFAOYSA-N,"InChI=1S/C32H52O6/c1-18(16-23(35)27(29(5,6)37)38-19(2)33)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(36)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34-35,37H,10-17H2,1-9H3",CC(=O)OC(C(O)CC(C)C1=C2CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1)C(C)(C)O,C32H52O6,,532.376389384,WXHUQVMHWUQNTG,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Phellodendron amurense,1016461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Phellodendron'],['Phellodendron amurense'],4,3,7.030879735946655 5612,8993,2307,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.35525998,ISDB,QNWUKAPRXIAXCS-RSZYDBLBSA-N,"InChI=1S/C30H44O2/c1-19-9-8-10-22(12-13-25-23(19)16-29(25,4)5)18-32-28-14-11-20(2)24-17-30(6,7)26(24)15-27(31)21(28)3/h10,23-26,28H,1-3,8-9,11-18H2,4-7H3/b22-10-/t23-,24-,25-,26-,28-/m1/s1",C=C1CC/C=C(\CO[C@@H]2CCC(=C)[C@H]3CC(C)(C)[C@@H]3CC(=O)C2=C)CC[C@@H]2[C@@H]1CC2(C)C,C30H44O2,,436.334130648,QNWUKAPRXIAXCS,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Pulicaria scabra,805864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria scabra'],4,3,6.921039938926697 5613,8991,2041,Fatty acids,Fatty esters,Fatty acyl carnitines,0.33735386,ISDB,MPSPNFAQQQMFLK-UHFFFAOYSA-N,"InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3",CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C16H31NO4,,301.225308472,MPSPNFAQQQMFLK,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,3,3.849415421485901 5614,8990,-1,,,,0.5103018,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,8.041207313537598 5615,8990,-1,,,,0.5103018,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.041207313537598 5616,8989,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5282189,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.612875699996948 5617,8989,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5282189,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.612875699996948 5618,8988,-1,,,,0.5260451,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,9.104180335998535 5619,8988,-1,,,,0.5260451,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,9.104180335998535 5620,8986,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5410876,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.664350509643555 5621,8986,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5410876,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.664350509643555 5622,8985,-1,,,,0.46640795,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,7.865631818771362 5623,8985,-1,,,,0.46640795,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.865631818771362 5624,8984,-1,,,,0.6887334,ISDB,ITXIHEUMAQMSJE-SWRJLBSHSA-N,"InChI=1S/C17H22O2/c1-9-7-11(18)13-12(8-9)19-17(4)6-5-10-14(17)15(13)16(10,2)3/h7-8,10,14-15,18H,5-6H2,1-4H3/t10-,14+,15+,17+/m1/s1",Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@@H]3[C@H]1[C@H]2C3(C)C,C17H22O2,,258.161979944,ITXIHEUMAQMSJE,Polyketides,Meroterpenoids,,Rhododendron anthopogonoides,5759940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogonoides'],3,0,5.754933595657349 5625,8984,-1,,,,0.6887334,ISDB,ITXIHEUMAQMSJE-SWRJLBSHSA-N,"InChI=1S/C17H22O2/c1-9-7-11(18)13-12(8-9)19-17(4)6-5-10-14(17)15(13)16(10,2)3/h7-8,10,14-15,18H,5-6H2,1-4H3/t10-,14+,15+,17+/m1/s1",Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@@H]3[C@H]1[C@H]2C3(C)C,C17H22O2,,258.161979944,ITXIHEUMAQMSJE,Polyketides,Meroterpenoids,,Rhododendron anthopogon,128305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogon'],3,0,5.754933595657349 5626,8983,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6363936,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.545574426651001 5627,8981,2041,Fatty acids,Fatty esters,Fatty acyl carnitines,0.33276764,ISDB,MPSPNFAQQQMFLK-UHFFFAOYSA-N,"InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3",CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C16H31NO4,,301.225308472,MPSPNFAQQQMFLK,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,3,3.8310705423355103 5628,8980,-1,,,,0.5657407,ISDB,ZIGOWDMHNDQEOB-UHFFFAOYSA-N,"InChI=1S/C25H34N2O5/c1-2-24-9-5-12-26-13-11-25(23(24)26)15-6-3-4-7-16(15)27(18(25)8-10-24)22-21(31)20(30)19(29)17(14-28)32-22/h3-4,6-7,17-18,20-23,28,30-31H,2,5,8-14H2,1H3",CCC12CCCN3CCC4(c5ccccc5N(C5OC(CO)C(=O)C(O)C5O)C4CC1)C32,C25H34N2O5,,442.246772188,ZIGOWDMHNDQEOB,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Rhazya stricta,618442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Amsonieae'],['Rhazya'],['Rhazya stricta'],3,0,5.262962818145752 5629,8978,2436,Terpenoids,Diterpenoids,Labdane diterpenoids,0.36231974,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.949278950691223 5630,8977,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.28606966,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.644278645515442 5631,8976,-1,,,,0.58304065,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.332162618637085 5632,8975,3615,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.24236105,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.969444215297699 5633,8974,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.54092,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.663680076599121 5634,8974,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.54092,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.663680076599121 5635,8972,-1,,,,0.4805848,ISDB,,,,,,,QUAHWMKEEFBACJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9223392009735107 5636,8971,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5294296,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.61771845817566 5637,8971,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5294296,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.61771845817566 5638,8970,2436,Terpenoids,Diterpenoids,Labdane diterpenoids,0.35183972,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.907358884811401 5639,8969,-1,,,,0.63882613,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,5.555304527282715 5640,8966,692,Alkaloids,Proline alkaloids,Prodigiosins,0.22245009,ISDB,MTEMKDFDIADHNU-QOCHGBHMSA-N,"InChI=1S/C24H33N3/c1-2-3-4-5-6-7-8-9-10-12-20-14-15-21(26-20)19-22-16-17-24(27-22)23-13-11-18-25-23/h11,13-19,25-26H,2-10,12H2,1H3/b22-19-",CCCCCCCCCCCc1ccc(/C=C2/C=CC(c3ccc[nH]3)=N2)[nH]1,C24H33N3,,363.267448056,MTEMKDFDIADHNU,Alkaloids,Proline alkaloids,Prodigiosins,Streptomyces albidoflavus,772836.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces albidoflavus'],0,3,2.3898003697395325 5641,8966,692,Alkaloids,Proline alkaloids,Prodigiosins,0.22245009,ISDB,MTEMKDFDIADHNU-QOCHGBHMSA-N,"InChI=1S/C24H33N3/c1-2-3-4-5-6-7-8-9-10-12-20-14-15-21(26-20)19-22-16-17-24(27-22)23-13-11-18-25-23/h11,13-19,25-26H,2-10,12H2,1H3/b22-19-",CCCCCCCCCCCc1ccc(/C=C2/C=CC(c3ccc[nH]3)=N2)[nH]1,C24H33N3,,363.267448056,MTEMKDFDIADHNU,Alkaloids,Proline alkaloids,Prodigiosins,Streptomyces coelicolor,102276.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces coelicolor'],0,3,2.3898003697395325 5642,8965,363,Fatty acids,Fatty amides,Primary amides,0.37160963,ISDB,QEALYLRSRQDCRA-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",CCCCCCCCCCCCCC(N)=O,C14H29NO,,227.224914548,QEALYLRSRQDCRA,Fatty acids,Fatty amides,Primary amides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.986438512802124 5643,8965,363,Fatty acids,Fatty amides,Primary amides,0.37160963,ISDB,QEALYLRSRQDCRA-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",CCCCCCCCCCCCCC(N)=O,C14H29NO,,227.224914548,QEALYLRSRQDCRA,Fatty acids,Fatty amides,Primary amides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],1,3,3.986438512802124 5644,8964,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5098293,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.53931713104248 5645,8964,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5098293,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.53931713104248 5646,8961,2436,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3341601,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.836640357971191 5647,8960,-1,,,,0.6477838,ISDB,BFCPRIFFJUHFAD-UHFFFAOYSA-N,"InChI=1S/C14H24N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",O=C(NC1CCCCC1)C(=O)NC1CCCCC1,C14H24N2O2,,252.183778008,BFCPRIFFJUHFAD,,,,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],3,0,5.591135263442993 5648,8959,363,Fatty acids,Fatty amides,Primary amides,0.37424284,ISDB,QEALYLRSRQDCRA-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",CCCCCCCCCCCCCC(N)=O,C14H29NO,,227.224914548,QEALYLRSRQDCRA,Fatty acids,Fatty amides,Primary amides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.996971368789673 5649,8959,363,Fatty acids,Fatty amides,Primary amides,0.37424284,ISDB,QEALYLRSRQDCRA-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",CCCCCCCCCCCCCC(N)=O,C14H29NO,,227.224914548,QEALYLRSRQDCRA,Fatty acids,Fatty amides,Primary amides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],1,3,3.996971368789673 5650,8957,363,Fatty acids,Fatty amides,Primary amides,0.44772056,ISDB,JIOJLCAPGHFHDI-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)",CCCCCCCCCC(=O)NCC(C)C,C14H29NO,,227.224914548,JIOJLCAPGHFHDI,Fatty acids,Fatty amides,N-acyl amines,Piper swartzianum,366805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper swartzianum'],3,2,5.790882229804993 5651,8957,363,Fatty acids,Fatty amides,Primary amides,0.44772056,ISDB,JIOJLCAPGHFHDI-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)",CCCCCCCCCC(=O)NCC(C)C,C14H29NO,,227.224914548,JIOJLCAPGHFHDI,Fatty acids,Fatty amides,N-acyl amines,Piper tuberculatum,443344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper tuberculatum'],3,2,5.790882229804993 5652,8957,363,Fatty acids,Fatty amides,Primary amides,0.44772056,ISDB,JIOJLCAPGHFHDI-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)",CCCCCCCCCC(=O)NCC(C)C,C14H29NO,,227.224914548,JIOJLCAPGHFHDI,Fatty acids,Fatty amides,N-acyl amines,Cissampelos glaberrima,5727731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Cissampelos'],['Cissampelos glaberrima'],3,2,5.790882229804993 5653,8956,363,Fatty acids,Fatty amides,Primary amides,0.37655514,ISDB,QEALYLRSRQDCRA-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",CCCCCCCCCCCCCC(N)=O,C14H29NO,,227.224914548,QEALYLRSRQDCRA,Fatty acids,Fatty amides,Primary amides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,4.006220579147339 5654,8956,363,Fatty acids,Fatty amides,Primary amides,0.37655514,ISDB,QEALYLRSRQDCRA-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",CCCCCCCCCCCCCC(N)=O,C14H29NO,,227.224914548,QEALYLRSRQDCRA,Fatty acids,Fatty amides,Primary amides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],1,3,4.006220579147339 5655,8955,-1,,,,0.5633175,ISDB,SFSFDBPTPLSWRM-KXNUYETHSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,SFSFDBPTPLSWRM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.253269910812378 5656,8954,363,Fatty acids,Fatty amides,Primary amides,0.37421942,ISDB,QEALYLRSRQDCRA-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",CCCCCCCCCCCCCC(N)=O,C14H29NO,,227.224914548,QEALYLRSRQDCRA,Fatty acids,Fatty amides,Primary amides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.996877670288086 5657,8954,363,Fatty acids,Fatty amides,Primary amides,0.37421942,ISDB,QEALYLRSRQDCRA-UHFFFAOYSA-N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",CCCCCCCCCCCCCC(N)=O,C14H29NO,,227.224914548,QEALYLRSRQDCRA,Fatty acids,Fatty amides,Primary amides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],1,3,3.996877670288086 5658,8953,-1,,,,0.5613918,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.245567083358765 5659,8951,255,Terpenoids,Triterpenoids,Ergostane steroids,0.28190386,ISDB,XQFHNOITSVLCHN-TWCWKPIJSA-N,"InChI=1S/C28H42O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h16,19-20,22-23,29H,7-15H2,1-6H3/t16-,19-,20+,22+,23-,25+,26+,27-,28+/m1/s1",CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)C[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O,C28H42O3,,426.313395204,XQFHNOITSVLCHN,Terpenoids,Triterpenoids,Friedelane triterpenoids,Microtropis triflora,1045126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis triflora'],3,2,5.127615451812744 5660,8949,-1,,,,0.2007637,ISDB,GBNDVFBBFXZTRE-GVXSCFBNSA-N,"InChI=1S/C25H36O4/c1-17(2)18-7-9-20-19(15-18)8-10-21-24(3,13-6-14-25(20,21)4)16-29-23(27)12-11-22(26)28-5/h7,9,15,17,21H,6,8,10-14,16H2,1-5H3/t21-,24-,25+/m0/s1",COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C25H36O4,,400.261359632,GBNDVFBBFXZTRE,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.8030548095703125 5661,8949,-1,,,,0.2007637,ISDB,GBNDVFBBFXZTRE-GVXSCFBNSA-N,"InChI=1S/C25H36O4/c1-17(2)18-7-9-20-19(15-18)8-10-21-24(3,13-6-14-25(20,21)4)16-29-23(27)12-11-22(26)28-5/h7,9,15,17,21H,6,8,10-14,16H2,1-5H3/t21-,24-,25+/m0/s1",COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C25H36O4,,400.261359632,GBNDVFBBFXZTRE,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.8030548095703125 5662,8948,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41106892,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],4,3,7.144275665283203 5663,8948,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41106892,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],4,3,7.144275665283203 5664,8948,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41106892,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Dysoxylum lenticellatum,5747796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum lenticellatum'],4,3,7.144275665283203 5665,8946,-1,,,,0.0,MS1_match,MDNLHPALNLCQKL-OAACRXHESA-N,"InChI=1S/C14H22O2/c1-12(2)7-10-9(12)5-6-13(3)8-14(10,4)16-11(13)15/h9-10H,5-8H2,1-4H3/t9-,10+,13+,14+/m1/s1",CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C[C@]2(C)OC1=O,C14H22O2,pos_2MNa,222.161979944,MDNLHPALNLCQKL,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,0,7.0 5666,8945,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611121,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.544448375701904 5667,8945,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611121,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.544448375701904 5668,8945,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611121,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.544448375701904 5669,8945,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611121,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.544448375701904 5670,8945,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7611121,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.544448375701904 5671,8944,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5158614,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.563445568084717 5672,8944,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5158614,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.563445568084717 5673,8944,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5158614,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.563445568084717 5674,8944,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5158614,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.563445568084717 5675,8944,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5158614,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.563445568084717 5676,8943,-1,,,,0.0,MS1_match,MDNLHPALNLCQKL-OAACRXHESA-N,"InChI=1S/C14H22O2/c1-12(2)7-10-9(12)5-6-13(3)8-14(10,4)16-11(13)15/h9-10H,5-8H2,1-4H3/t9-,10+,13+,14+/m1/s1",CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C[C@]2(C)OC1=O,C14H22O2,pos_2MH,222.161979944,MDNLHPALNLCQKL,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,0,7.0 5677,8942,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5313968,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.625587224960327 5678,8942,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5313968,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.625587224960327 5679,8940,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4809232,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.42369282245636 5680,8939,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51009196,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.540367841720581 5681,8939,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51009196,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.540367841720581 5682,8937,33,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28656596,ISDB,GXVUROLHKHUMHW-VUCALGJUSA-N,"InChI=1S/C26H38O6/c1-7-24(3)12-9-19-18(15-24)20(32-17(2)27)13-21-25(4,10-8-11-26(19,21)5)16-31-23(29)14-22(28)30-6/h7,15,19-21H,1,8-14,16H2,2-6H3/t19-,20+,21-,24-,25-,26+/m0/s1",C=C[C@]1(C)C=C2[C@H](OC(C)=O)C[C@H]3[C@](C)(COC(=O)CC(=O)OC)CCC[C@]3(C)[C@H]2CC1,C26H38O6,,446.266838936,GXVUROLHKHUMHW,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Nepeta tuberosa,830208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta tuberosa'],3,2,5.146263837814331 5683,8936,-1,,,,0.5369413,ISDB,ODFCWXVQZAQDSO-CMKODMSKSA-N,"InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C20H30O2,,302.2245802,ODFCWXVQZAQDSO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,9.147765159606934 5684,8935,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5369346,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.647738456726074 5685,8935,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5369346,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.647738456726074 5686,8934,-1,,,,0.69707465,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.788298606872559 5687,8932,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54407847,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.676313877105713 5688,8932,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54407847,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,3,9.676313877105713 5689,8932,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54407847,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.676313877105713 5690,8932,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54407847,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.676313877105713 5691,8929,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6086935,ISDB,BBPXZLJCPUPNGH-UHFFFAOYSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3",CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies grandis,343179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies grandis'],6,3,9.934773921966553 5692,8929,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6086935,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.934773921966553 5693,8928,-1,,,,0.0,MS1_match,COUZJTKJINDPEN-JAVKLMNMSA-N,"InChI=1S/C32H48O8/c1-18(33)38-20-16-22-29(4)12-10-23(39-26(37)17-24(34)35)28(2,3)21(29)9-14-30(22,5)31(6)13-8-19(27(20)31)32(7)15-11-25(36)40-32/h19-23,27H,8-17H2,1-7H3,(H,34,35)/t19-,20+,21-,22+,23+,27-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CCC(=O)O3)[C@@H]12,C32H48O8,pos_1_1sodium,560.334918496,COUZJTKJINDPEN,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5694,8927,704,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,COUZJTKJINDPEN-JAVKLMNMSA-N,"InChI=1S/C32H48O8/c1-18(33)38-20-16-22-29(4)12-10-23(39-26(37)17-24(34)35)28(2,3)21(29)9-14-30(22,5)31(6)13-8-19(27(20)31)32(7)15-11-25(36)40-32/h19-23,27H,8-17H2,1-7H3,(H,34,35)/t19-,20+,21-,22+,23+,27-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CCC(=O)O3)[C@@H]12,C32H48O8,pos_1_1proton1ammonium,560.334918496,COUZJTKJINDPEN,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 5695,8926,-1,,,,0.72717315,ISDB,SZAQZZKNQILGPU-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-11(2)18(16-9-12(3)7-14(5)19(16)21)17-10-13(4)8-15(6)20(17)22/h7-11,18,21-22H,1-6H3",Cc1cc(C)c(O)c(C(c2cc(C)cc(C)c2O)C(C)C)c1,C20H26O2,,298.193280072,SZAQZZKNQILGPU,,,,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],5,0,7.9086925983428955 5696,8925,3171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.48941004,ISDB,VXQBJZLNZQLKCS-DAMXAWHRSA-N,"InChI=1S/C34H50O7/c1-18(35)38-27-17-25-30(3,4)26(37)13-15-33(25,8)24-12-14-32(7)21(10-11-23(32)34(24,27)9)20-16-22(28-31(5,6)41-28)40-29(20)39-19(2)36/h11,20-22,24-25,27-29H,10,12-17H2,1-9H3/t20-,21-,22+,24+,25-,27+,28-,29-,32-,33+,34-/m0/s1",CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]3(C)[C@H](CC[C@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O,C34H50O7,,570.3556539399999,VXQBJZLNZQLKCS,Terpenoids,Triterpenoids,Apotirucallane triterpenoids,Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,2,6.957640171051025 5697,8924,-1,,,,0.9147879,ISDB,UNNXMCWXOOFOBL-HVVIKVJSSA-N,"InChI=1S/C30H46O4/c1-16(2)22-18-14-17(3)23-26(6)12-13-29-15-28(29)11-10-21(31)25(4,5)19(28)8-9-20(29)27(26,7)24(32)30(23,33-18)34-22/h17-24,31-32H,1,8-15H2,2-7H3/t17-,18-,19+,20+,21+,22+,23-,24-,26-,27-,28-,29+,30-/m1/s1",C=C(C)[C@@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C30H46O4,,470.33960995199993,UNNXMCWXOOFOBL,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],4,0,7.659151554107666 5698,8923,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7644651,ISDB,VLXDPFLIRFYIME-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,10.557860374450684 5699,8923,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7644651,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,10.557860374450684 5700,8922,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7579269,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,10.531707525253296 5701,8922,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7579269,ISDB,VLXDPFLIRFYIME-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,10.531707525253296 5702,8920,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.771863,ISDB,VLXDPFLIRFYIME-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3",CC1=CCC2C3C(C(C)C)CCC2(C)C13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,3,11.587451934814453 5703,8919,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7679528,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.571811199188232 5704,8914,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5139803,ISDB,LATYMKGKTUCKOM-XJURVPLXSA-N,"InChI=1S/C36H54O6/c1-10-22(2)28(37)42-27-20-30(3,4)19-24-23-11-12-26-33(8,32(23,7)15-17-35(24,27)29(38)39)14-13-25-31(5,6)36(40-9)18-16-34(25,26)21-41-36/h10-11,24-27H,12-21H2,1-9H3,(H,38,39)/b22-10-/t24-,25-,26-,27+,32+,33+,34+,35-,36-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@]56CC[C@](OC)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O,C36H54O6,,582.392039448,LATYMKGKTUCKOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,3,7.555921316146851 5705,8913,544,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6286244,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,8.014497518539429 5706,8912,-1,,,,0.675164,ISDB,,,,,,,LLJZJNHOOHQEGE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.700655937194824 5707,8911,-1,,,,0.5362425,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.144969940185547 5708,8910,-1,,,,0.0,MS1_match,WTEVQBCEXWBHNA-YFHOEESVSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",CC(C)=CCC/C(C)=C\C=O,C10H16O,pos_2MNa,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5709,8910,-1,,,,0.0,MS1_match,RXBQNMWIQKOSCS-RKDXNWHRSA-N,"InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m1/s1",CC1(C)[C@@H]2CC=C(CO)[C@H]1C2,C10H16O,pos_2MNa,152.120115132,RXBQNMWIQKOSCS,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5710,8910,-1,,,,0.0,MS1_match,UMEJBWOWZDRULR-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3",CC1=CCC(C(C)C=O)CC1,C10H16O,pos_2MNa,152.120115132,UMEJBWOWZDRULR,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5711,8910,-1,,,,0.0,MS1_match,YGYSWSPXSCQPRC-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,6,9,11H,1,5,7H2,2-3H3",C=C1C=CC(C(C)(C)O)CC1,C10H16O,pos_2MNa,152.120115132,YGYSWSPXSCQPRC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 5712,8909,-1,,,,0.6610971,ISDB,WDXRGPWQVHZTQJ-AUKWTSKRSA-N,"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1",C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H28O2,,312.208930136,WDXRGPWQVHZTQJ,Terpenoids,Steroids,Pregnane steroids,Commiphora wightii,968492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora wightii'],4,0,6.644388437271118 5713,8909,-1,,,,0.6610971,ISDB,WDXRGPWQVHZTQJ-AUKWTSKRSA-N,"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1",C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H28O2,,312.208930136,WDXRGPWQVHZTQJ,Terpenoids,Steroids,Pregnane steroids,Commiphora mukul,7058218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora mukul'],4,0,6.644388437271118 5714,8908,-1,,,,0.8672977,ISDB,IQULCXQCXFWUQH-JKDFXYPNSA-N,"InChI=1S/C17H22O2/c1-10-7-13-15-11-9-17(4,19-14(15)8-10)6-5-12(11)16(2,3)18-13/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12+,17-/m0/s1",Cc1cc2c3c(c1)O[C@@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2,C17H22O2,,258.161979944,IQULCXQCXFWUQH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rhododendron anthopogonoides,5759940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogonoides'],4,0,7.469190835952759 5715,8908,-1,,,,0.8672977,ISDB,IQULCXQCXFWUQH-JKDFXYPNSA-N,"InChI=1S/C17H22O2/c1-10-7-13-15-11-9-17(4,19-14(15)8-10)6-5-12(11)16(2,3)18-13/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12+,17-/m0/s1",Cc1cc2c3c(c1)O[C@@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2,C17H22O2,,258.161979944,IQULCXQCXFWUQH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rhododendron anthopogon,128305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogon'],4,0,7.469190835952759 5716,8903,-1,,,,0.60286504,ISDB,HUVDLMZXDBISHK-GOVDSYQGSA-N,"InChI=1S/C36H52O5/c1-22-13-18-35(31(39)40)19-20-36(21-41-25-9-7-24(37)8-10-25)26(30(35)23(22)2)11-12-28-33(5)16-15-29(38)32(3,4)27(33)14-17-34(28,36)6/h7-11,22-23,27-30,37-38H,12-21H2,1-6H3,(H,39,40)/t22-,23+,27-,28-,29+,30-,33+,34-,35+,36+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(COc4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12,C36H52O5,,564.381474764,HUVDLMZXDBISHK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Plumeria obtusa,449191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Plumeria'],['Plumeria obtusa'],4,0,6.4114601612091064 5717,8902,-1,,,,0.38751978,ISDB,AKYLOCBWNOEPCY-NDIYSBOUSA-N,"InChI=1S/C36H50O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22,24,26,28-30,32-33,38H,4,7,13-19,21H2,1-3,5-6H3/t24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1",C=C(CC[C@@H](CC)C(C)C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C36H50O4,,546.37091008,AKYLOCBWNOEPCY,Terpenoids,Steroids,Ecdysteroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],4,0,5.550079107284546 5718,8902,-1,,,,0.38751978,ISDB,AKYLOCBWNOEPCY-NDIYSBOUSA-N,"InChI=1S/C36H50O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22,24,26,28-30,32-33,38H,4,7,13-19,21H2,1-3,5-6H3/t24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1",C=C(CC[C@@H](CC)C(C)C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C36H50O4,,546.37091008,AKYLOCBWNOEPCY,Terpenoids,Steroids,Ecdysteroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],4,0,5.550079107284546 5719,8902,-1,,,,0.38751978,ISDB,AKYLOCBWNOEPCY-NDIYSBOUSA-N,"InChI=1S/C36H50O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22,24,26,28-30,32-33,38H,4,7,13-19,21H2,1-3,5-6H3/t24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1",C=C(CC[C@@H](CC)C(C)C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C36H50O4,,546.37091008,AKYLOCBWNOEPCY,Terpenoids,Steroids,Ecdysteroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],4,0,5.550079107284546 5720,8902,-1,,,,0.38751978,ISDB,AKYLOCBWNOEPCY-NDIYSBOUSA-N,"InChI=1S/C36H50O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22,24,26,28-30,32-33,38H,4,7,13-19,21H2,1-3,5-6H3/t24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1",C=C(CC[C@@H](CC)C(C)C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C36H50O4,,546.37091008,AKYLOCBWNOEPCY,Terpenoids,Steroids,Ecdysteroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],4,0,5.550079107284546 5721,8902,-1,,,,0.38751978,ISDB,AKYLOCBWNOEPCY-UHFFFAOYSA-N,"InChI=1S/C36H50O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22,24,26,28-30,32-33,38H,4,7,13-19,21H2,1-3,5-6H3",C=C(CCC(CC)C(C)C)C1CCC2C3=CC(=O)C4CC(OC(=O)c5ccccc5)CCC4(C)C3C(O)CC12C,C36H50O4,,546.37091008,AKYLOCBWNOEPCY,Terpenoids,Steroids,Ecdysteroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],4,0,5.550079107284546 5722,8901,-1,,,,0.28063622,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,5.122544884681702 5723,8901,-1,,,,0.28063622,ISDB,GKMHSJYLRXLVRG-QZMSTDJESA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C30H42O,,418.3235659639999,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,5.122544884681702 5724,8901,-1,,,,0.28063622,ISDB,GKMHSJYLRXLVRG-MTKQDQGOSA-N,"InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m0/s1",CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C,C30H42O,,418.323565964,GKMHSJYLRXLVRG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Citrus,929678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Unknown'],4,0,5.122544884681702 5725,8900,-1,,,,0.71542627,ISDB,KFLDXHQJVVNZHY-CNTPUZDVSA-N,"InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-17-18-13-14-19-20(24(25)26)12-11-16-15-21(17)23(18)22(16)19/h2-3,11-14,16-23H,4-10,15H2,1H3,(H,25,26)/b3-2+/t16-,17+,18-,19-,20-,21-,22-,23-/m0/s1",C/C=C/CCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H]4[C@@H]2[C@H]1C[C@@H]4C=C[C@@H]3C(=O)O,C24H34O2,,354.255880328,KFLDXHQJVVNZHY,Polyketides,Cyclic polyketides,,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],4,0,6.86170506477356 5726,8899,-1,,,,0.93424827,ISDB,LOUSOANLLAIPSC-KODLDCGNSA-N,"InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10?,11?,13-,14-,15+,16-,17+,19+,20+/m1/s1",CC1C(=O)O[C@H]2C3=CC[C@H]4[C@@](C)(CCC5C[C@@]54C)[C@@H]3C[C@@H](O)[C@@H]12,C20H28O3,,316.203844756,LOUSOANLLAIPSC,Terpenoids,Diterpenoids,,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],4,0,7.736993074417114 5727,8899,-1,,,,0.93424827,ISDB,LOUSOANLLAIPSC-KODLDCGNSA-N,"InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10?,11?,13-,14-,15+,16-,17+,19+,20+/m1/s1",CC1C(=O)O[C@H]2C3=CC[C@H]4[C@@](C)(CCC5C[C@@]54C)[C@@H]3C[C@@H](O)[C@@H]12,C20H28O3,,316.203844756,LOUSOANLLAIPSC,Terpenoids,Diterpenoids,,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],4,0,7.736993074417114 5728,8898,580,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.50565124,ISDB,LATYMKGKTUCKOM-XJURVPLXSA-N,"InChI=1S/C36H54O6/c1-10-22(2)28(37)42-27-20-30(3,4)19-24-23-11-12-26-33(8,32(23,7)15-17-35(24,27)29(38)39)14-13-25-31(5,6)36(40-9)18-16-34(25,26)21-41-36/h10-11,24-27H,12-21H2,1-9H3,(H,38,39)/b22-10-/t24-,25-,26-,27+,32+,33+,34+,35-,36-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@]56CC[C@](OC)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O,C36H54O6,,582.392039448,LATYMKGKTUCKOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,3,7.522604942321777 5729,8896,74,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34136158,ISDB,PIJPSWNOKIPSCP-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,16-17,20-21H,5,8-9,11H2,1-4H3",CC(C)c1ccc2c(c1)C(O)CC1C(C)(O)CCCC21C,C19H28O2,,288.208930136,PIJPSWNOKIPSCP,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,8.865446329116821 5730,8892,-1,,,,0.0,MS1_match,BZORLJPADUHVJE-QWBBESJSSA-N,"InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C39H54O7,pos_1_1sodium,634.386954068,BZORLJPADUHVJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 5731,8891,-1,,,,0.5827213,ISDB,DHSOUUBJZSEFHJ-UPLCLECTSA-N,"InChI=1S/C33H50O6/c1-19-17-25(39-21(3)34)32(27(35)37-8)15-13-29(6)22(26(32)20(19)2)9-10-24-30(29,7)12-11-23-28(4,5)33(36)16-14-31(23,24)18-38-33/h9,19-20,23-26,36H,10-18H2,1-8H3/t19-,20+,23+,24+,25-,26+,29-,30-,31-,32-,33+/m1/s1",COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O,C33H50O6,,542.36073932,DHSOUUBJZSEFHJ,Terpenoids,Triterpenoids,Bauerane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.330885171890259 5732,8888,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.65793234,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,3,8.131729364395142 5733,8888,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.65793234,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,3,8.131729364395142 5734,8888,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.65793234,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,3,8.131729364395142 5735,8888,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.65793234,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,3,8.131729364395142 5736,8888,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.65793234,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,3,8.131729364395142 5737,8888,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.65793234,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,3,8.131729364395142 5738,8888,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.65793234,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,8.131729364395142 5739,8886,-1,,,,0.64575416,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,5.583016633987427 5740,8885,544,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 5741,8884,-1,,,,0.81099194,ISDB,VYZWWQXICOFCOH-GPOJBZKASA-N,"InChI=1S/C30H46O2/c1-18-10-15-30-17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32-25(30)31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](OC2=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]13,C30H46O2,,438.349780712,VYZWWQXICOFCOH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,7.243967771530151 5742,8878,1848,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5658026,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.76321029663086 5743,8878,1848,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5658026,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.76321029663086 5744,8877,-1,,,,0.70768034,ISDB,SFSFDBPTPLSWRM-KXNUYETHSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,,514.3658247,SFSFDBPTPLSWRM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.830721378326416 5745,8876,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5638629,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.755451679229736 5746,8874,2187,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 5747,8874,2187,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,3,8.5 5748,8874,2187,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,3,8.5 5749,8870,975,Terpenoids,Triterpenoids,Glutinane triterpenoids,0.56173813,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,3,9.746952533721924 5750,8869,2921,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.36981273,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Enterococcus faecium,594429.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Enterococcaceae'],['Unknown'],['Enterococcus'],['Enterococcus faecium'],0,3,2.979250907897949 5751,8869,2921,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.36981273,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Staphylococcus aureus,1090496.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Staphylococcaceae'],['Unknown'],['Staphylococcus'],['Staphylococcus aureus'],0,3,2.979250907897949 5752,8865,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33971506,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.85886025428772 5753,8865,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33971506,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.85886025428772 5754,8864,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.49903446,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.496137857437134 5755,8862,-1,,,,0.7072491,ISDB,,,,,,,WCMSFBRREKZZFL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.828996419906616 5756,8861,2331,Terpenoids,Steroids,Cardenolides,0.40485826,ISDB,OFSZOCPGPLMCBG-MFYCUANCSA-N,"InChI=1S/C35H54O14/c1-16-30(49-32-28(42)26(40)25(39)23(13-36)48-32)27(41)29(43)31(46-16)47-19-5-9-34(15-37)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-24(38)45-14-17/h11,16,18-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t16-,18+,19+,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(CO)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H54O14,,698.351356408,OFSZOCPGPLMCBG,Terpenoids,Steroids,Cardenolides,Antiaris toxicaria,539291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Antiaris'],['Antiaris toxicaria'],5,3,8.119433045387268 5757,8859,1549,Terpenoids,Triterpenoids,Glutinane triterpenoids,0.6151576,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,3,9.960630416870117 5758,8857,1085,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.51300013,ISDB,OJSKJQFODPKTBT-APNJTCTJSA-N,"InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16+,17-,18-,19+,20-/m0/s1",C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,OJSKJQFODPKTBT,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.552000522613525 5759,8857,1085,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.51300013,ISDB,OJSKJQFODPKTBT-HUTLCRKWSA-N,"InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16+,17-,18+,19+,20-/m0/s1",C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,OJSKJQFODPKTBT,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.552000522613525 5760,8856,2408,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3540749,ISDB,VXBAHMXIACGHEE-BJLQDIEVSA-N,"InChI=1S/C20H28O2/c1-12(2)13-8-14-15(9-16(13)21)20-7-5-6-19(3,4)18(20)10-17(14)22-11-20/h8-9,12,17-18,21H,5-7,10-11H2,1-4H3/t17-,18-,20-/m0/s1",CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3,C20H28O2,,300.208930136,VXBAHMXIACGHEE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis lawsoniana,582844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis lawsoniana'],5,3,7.91629958152771 5761,8856,2408,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3540749,ISDB,VXBAHMXIACGHEE-BJLQDIEVSA-N,"InChI=1S/C20H28O2/c1-12(2)13-8-14-15(9-16(13)21)20-7-5-6-19(3,4)18(20)10-17(14)22-11-20/h8-9,12,17-18,21H,5-7,10-11H2,1-4H3/t17-,18-,20-/m0/s1",CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3,C20H28O2,,300.208930136,VXBAHMXIACGHEE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis formosensis,800340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis formosensis'],5,3,7.91629958152771 5762,8855,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.29786694,ISDB,QUKRUZLNSQPNGI-UHFFFAOYSA-N,"InChI=1S/C24H26O8/c1-10-18(27)16(11(2)25)20(29)14(22(10)31-6)9-15-21(30)17(12(3)26)19(28)13-7-8-24(4,5)32-23(13)15/h7-8,27-30H,9H2,1-6H3",COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c2c1OC(C)(C)C=C2,C24H26O8,,442.16276779199984,QUKRUZLNSQPNGI,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],3,3,5.691467761993408 5763,8853,1218,Amino acids and Peptides,Small peptides,Dipeptides,0.70991737,ISDB,XIQXUFYJMBDYSU-CIUDSAMLSA-N,"InChI=1S/C11H20N2O2/c1-5-7(4)9-11(15)12-8(6(2)3)10(14)13-9/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC1=O,C11H20N2O2,,212.15247788,XIQXUFYJMBDYSU,Amino acids and Peptides,Small peptides,Dipeptides,Ophiocordyceps sinensis,610202.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Ophiocordycipitaceae'],['Unknown'],['Ophiocordyceps'],['Ophiocordyceps sinensis'],1,3,5.339669466018677 5764,8852,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.72021705,ISDB,,,,,,,PTAASJZWKAJSGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8808681964874268 5765,8849,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5322923,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.129169225692749 5766,8849,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5322923,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.129169225692749 5767,8848,557,Amino acids and Peptides,Small peptides,Dipeptides,0.6005072,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.902028799057007 5768,8847,1548,Terpenoids,Diterpenoids,Cassane diterpenoids,0.5782175,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,2,6.312870025634766 5769,8845,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.8259009,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,7.803603649139404 5770,8844,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.34354523,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],5,3,7.874180912971497 5771,8844,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.34354523,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],5,3,7.874180912971497 5772,8843,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3610731,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.944292426109314 5773,8843,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3610731,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.944292426109314 5774,8840,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 5775,8840,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 5776,8840,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 5777,8840,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 5778,8840,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 5779,8839,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69891644,ISDB,,,,,,,WCMSFBRREKZZFL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.795665740966797 5780,8837,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_3_1proton2sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 5781,8837,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_3_1proton2sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 5782,8833,1218,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",CCc1ccccc1,C8H10,pos_2MH,106.07825032,YNQLUTRBYVCPMQ,Shikimates and Phenylpropanoids,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 5783,8832,557,Amino acids and Peptides,Small peptides,Dipeptides,0.518548,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.074192047119141 5784,8832,557,Amino acids and Peptides,Small peptides,Dipeptides,0.518548,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.074192047119141 5785,8828,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.840969,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,7.863876104354858 5786,8825,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.24345726,ISDB,MMAWDOHNXONWOF-UFOPBENGSA-N,"InChI=1S/C22H34O9/c1-12-7-9-16(10-8-12)22(5,6)31-21-18(26)20(29-15(4)25)19(28-14(3)24)17(30-21)11-27-13(2)23/h7,16-21,26H,8-11H2,1-6H3/t16-,17-,18-,19-,20-,21+/m1/s1",CC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC=C(C)CC2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C22H34O9,,442.2202826679998,MMAWDOHNXONWOF,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Roldana angulifolia,5794257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana angulifolia'],3,0,3.9738290309906006 5787,8824,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.22410537,ISDB,NMPXPNSCHDVDQB-LGCLYOADSA-N,"InChI=1S/C17H30O13/c1-4-7(18)10(21)13(24)16(27-4)30-14-11(22)8(19)5(2)28-17(14)26-3-6-9(20)12(23)15(25)29-6/h4-25H,3H2,1-2H3/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15-,16-,17+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](OC[C@@H]3O[C@H](O)[C@H](O)[C@H]3O)O[C@@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C17H30O13,,442.16864102,NMPXPNSCHDVDQB,Carbohydrates,Saccharides,Disaccharides,Aegle marmelos,490374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Aegle'],['Aegle marmelos'],3,0,3.896421492099762 5788,8820,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34903,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.896119952201843 5789,8819,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5077976,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.531190395355225 5790,8818,1218,Amino acids and Peptides,Small peptides,Dipeptides,0.7185478,ISDB,XIQXUFYJMBDYSU-CIUDSAMLSA-N,"InChI=1S/C11H20N2O2/c1-5-7(4)9-11(15)12-8(6(2)3)10(14)13-9/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC1=O,C11H20N2O2,,212.15247788,XIQXUFYJMBDYSU,Amino acids and Peptides,Small peptides,Dipeptides,Ophiocordyceps sinensis,610202.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Ophiocordycipitaceae'],['Unknown'],['Ophiocordyceps'],['Ophiocordyceps sinensis'],1,3,5.3741912841796875 5791,8817,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.723866,ISDB,,,,,,,PTAASJZWKAJSGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8954639434814453 5792,8816,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5610854,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.244341611862183 5793,8816,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5610854,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.244341611862183 5794,8813,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.8305463,ISDB,INUWBHWKAMVTNU-UHFFFAOYSA-N,"InChI=1S/C13H14/c1-3-12-10(2)8-9-11-6-4-5-7-13(11)12/h4-9H,3H2,1-2H3",CCc1c(C)ccc2ccccc12,C13H14,,170.109550448,INUWBHWKAMVTNU,Shikimates and Phenylpropanoids,,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,1,6.822185277938843 5795,8812,69,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8081428,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.732571125030518 5796,8803,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5883607,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.853442907333374 5797,8802,-1,,,,0.0,MS1_match,QDMMUVWIKPTNHN-GRDCQMQTSA-N,"InChI=1S/C30H44O5/c1-18(2)24-9-8-22-16-30(17-25(22)28(24,6)12-11-26(32)33)20(4)10-13-29(30,7)21(5)15-23(31)14-19(3)27(34)35/h8,19,21,24-25H,1,4,9-17H2,2-3,5-7H3,(H,32,33)(H,34,35)/t19-,21-,24+,25-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2C[C@]3(C[C@H]2[C@@]1(C)CCC(=O)O)C(=C)CC[C@@]3(C)[C@H](C)CC(=O)C[C@@H](C)C(=O)O,C30H44O5,pos_1_1proton1ammonium,484.318874508,QDMMUVWIKPTNHN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,7.0 5798,8800,329,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,0.61392355,ISDB,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.455694198608398 5799,8798,2320,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.48929384,ISDB,YOJOMKQXHBDBOK-IBPQCQHASA-N,"InChI=1S/C24H26O8/c1-6-9-23-11-19(31-14(3)25)21(27)24(28-5,22(23)32-15(4)26)20(13(23)2)16-7-8-17-18(10-16)30-12-29-17/h6-8,10-11,13,20,22H,1,9,12H2,2-5H3/t13-,20+,22?,23-,24+/m0/s1",C=CC[C@@]12C=C(OC(C)=O)C(=O)[C@@](OC)(C1OC(C)=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C,C24H26O8,,442.162767792,YOJOMKQXHBDBOK,Shikimates and Phenylpropanoids,Lignans,Neolignans,Ocotea catharinensis,251045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea catharinensis'],3,3,6.457175374031067 5800,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cedrela odorata,481677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Cedrela'],['Cedrela odorata'],3,3,7.605799674987793 5801,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Halocarpus kirkii,309855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus kirkii'],3,3,7.605799674987793 5802,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mastigophora diclados,94620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Mastigophoraceae'],['Unknown'],['Mastigophora'],['Mastigophora diclados'],3,3,7.605799674987793 5803,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],3,3,7.605799674987793 5804,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,7.605799674987793 5805,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Juniperus excelsa,283344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus excelsa'],3,3,7.605799674987793 5806,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],3,3,7.605799674987793 5807,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],3,3,7.605799674987793 5808,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia littoralis,859241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia littoralis'],3,3,7.605799674987793 5809,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia elegans,80342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia elegans'],3,3,7.605799674987793 5810,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],3,3,7.605799674987793 5811,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],3,3,7.605799674987793 5812,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],3,3,7.605799674987793 5813,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina insularis,313201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina insularis'],3,3,7.605799674987793 5814,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina corsica,130304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina corsica'],3,3,7.605799674987793 5815,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania congesta,3899922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania congesta'],3,3,7.605799674987793 5816,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania banisteriae,7051520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania hirsutissima'],3,3,7.605799674987793 5817,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania parviflora,6056508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania parviflora'],3,3,7.605799674987793 5818,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania cordifolia,803876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordifolia'],3,3,7.605799674987793 5819,8797,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7764499,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Micromeria juliana,596693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria juliana'],3,3,7.605799674987793 5820,8795,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.843432,ISDB,NYFGVUCTLCDUFF-SKCDSABHSA-N,"InChI=1S/C25H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30-5)23-31-21-24(27)22-33-34(28,29)32-20-19-26(2,3)4/h16-17,24-25,27H,6-15,18-23H2,1-5H3/t24-,25?/m0/s1",CCCCCCCCCCCC=CCC(COC[C@H](O)COP(=O)([O-])OCC[N+](C)(C)C)OC,C25H52NO7P,,509.348139634,NYFGVUCTLCDUFF,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],1,3,5.873728036880493 5821,8792,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.7162819,ISDB,RVODLNSWAHTRAO-USXIJHARSA-N,"InChI=1S/C17H22O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h9,14,16H,1,5-8H2,2-4H3/t14-,16+,17+/m0/s1",C=C1CC[C@@H](OC(C)=O)[C@]2(C)Cc3occ(C)c3C[C@@H]12,C17H22O3,,274.156894564,RVODLNSWAHTRAO,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],3,2,6.8651275634765625 5822,8792,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.7162819,ISDB,RVODLNSWAHTRAO-USXIJHARSA-N,"InChI=1S/C17H22O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h9,14,16H,1,5-8H2,2-4H3/t14-,16+,17+/m0/s1",C=C1CC[C@@H](OC(C)=O)[C@]2(C)Cc3occ(C)c3C[C@@H]12,C17H22O3,,274.156894564,RVODLNSWAHTRAO,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],3,2,6.8651275634765625 5823,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 5824,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Herrania albiflora,425977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Herrania'],['Herrania albiflora'],6,0,6.0 5825,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Theobroma speciosum,654076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma speciosum'],6,0,6.0 5826,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_2MFe,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,0,6.0 5827,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Grewia bicolor,684664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Grewia'],['Grewia bicolor'],6,0,6.0 5828,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Grewia damine,6116423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Grewia'],['Grewia damine'],6,0,6.0 5829,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,0,6.0 5830,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 5831,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 5832,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Herrania albiflora,425977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Herrania'],['Herrania albiflora'],6,0,6.0 5833,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Theobroma speciosum,654076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma speciosum'],6,0,6.0 5834,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_2MFe,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,0,6.0 5835,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Grewia bicolor,684664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Grewia'],['Grewia bicolor'],6,0,6.0 5836,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Grewia damine,6116423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Grewia'],['Grewia damine'],6,0,6.0 5837,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,0,6.0 5838,8790,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 5839,8790,-1,,,,0.0,MS1_match,HXQRIQXPGMPSRW-WVVGHYSUSA-N,"InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h19-24,29H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C28H48O,pos_2MFe,400.3705161559999,HXQRIQXPGMPSRW,Terpenoids,Steroids,Cholestane steroids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0 5840,8790,-1,,,,0.0,MS1_match,NGXRTVJNRVZABS-AUZDMFNXSA-N,"InChI=1S/C28H48O/c1-19(21(3)18-29)9-10-20(2)24-13-14-25-23-12-11-22-8-6-7-16-27(22,4)26(23)15-17-28(24,25)5/h18-20,22-26,29H,6-17H2,1-5H3/t19-,20+,22?,23-,24+,25-,26-,27-,28+/m0/s1",CC(=CO)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,NGXRTVJNRVZABS,Terpenoids,Steroids,Cholestane steroids,Helicteres angustifolia,283046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Helicteres'],['Helicteres angustifolia'],6,0,6.0 5841,8789,2053,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6755898,ISDB,CIIDMMPURFCERH-OWVRDFCESA-N,"InChI=1S/C22H36O4/c1-14(24)26-18-10-17-19(2,13-23)8-5-9-20(17,3)16-7-6-15-11-22(16,18)12-21(15,4)25/h15-18,23,25H,5-13H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22-/m1/s1",CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(C)O,C22H36O4,,364.261359632,CIIDMMPURFCERH,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Sideritis congesta,6081606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis congesta'],4,1,7.202359199523926 5842,8788,1421,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5009085,ISDB,QDMMUVWIKPTNHN-GRDCQMQTSA-N,"InChI=1S/C30H44O5/c1-18(2)24-9-8-22-16-30(17-25(22)28(24,6)12-11-26(32)33)20(4)10-13-29(30,7)21(5)15-23(31)14-19(3)27(34)35/h8,19,21,24-25H,1,4,9-17H2,2-3,5-7H3,(H,32,33)(H,34,35)/t19-,21-,24+,25-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2C[C@]3(C[C@H]2[C@@]1(C)CCC(=O)O)C(=C)CC[C@@]3(C)[C@H](C)CC(=O)C[C@@H](C)C(=O)O,C30H44O5,,484.318874508,QDMMUVWIKPTNHN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.503633975982666 5843,8787,1537,,,,0.32985854,ISDB,,,,,,,NTHYPLUAMLERLA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3194341659545898 5844,8786,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5572293,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.728917121887207 5845,8786,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5572293,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.728917121887207 5846,8786,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5572293,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.728917121887207 5847,8786,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5572293,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.728917121887207 5848,8786,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5572293,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.728917121887207 5849,8785,1568,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,QDMMUVWIKPTNHN-GRDCQMQTSA-N,"InChI=1S/C30H44O5/c1-18(2)24-9-8-22-16-30(17-25(22)28(24,6)12-11-26(32)33)20(4)10-13-29(30,7)21(5)15-23(31)14-19(3)27(34)35/h8,19,21,24-25H,1,4,9-17H2,2-3,5-7H3,(H,32,33)(H,34,35)/t19-,21-,24+,25-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2C[C@]3(C[C@H]2[C@@]1(C)CCC(=O)O)C(=C)CC[C@@]3(C)[C@H](C)CC(=O)C[C@@H](C)C(=O)O,C30H44O5,pos_1_1sodium,484.318874508,QDMMUVWIKPTNHN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,8.5 5850,8784,1414,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.44483304,ISDB,VDCJOAVMFLFNOK-CRPNLYNSSA-N,"InChI=1S/C30H42O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h8,16,19-20,22H,9-15,17H2,1-7H3/t19-,20-,22+,26-,27+,28+,29-,30+/m1/s1",CC1=C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O,C30H42O4,,466.308309824,VDCJOAVMFLFNOK,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.279332160949707 5851,8783,69,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8056929,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.722771644592285 5852,8781,-1,,,,0.52871895,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],7,0,9.114875793457031 5853,8779,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NWRAOEGVNDIBIM-PZVFIVNOSA-N,"InChI=1S/C36H56O8/c1-18(2)13-20-14-19(3)28-23(42-20)15-34(6)25-11-9-21-22(36(25,8)26(38)16-35(28,34)7)10-12-27(33(21,4)5)44-32-31(41)30(40)29(39)24(17-37)43-32/h9,13,19-20,22-25,27-32,37,39-41H,10-12,14-17H2,1-8H3/t19-,20+,22-,23-,24-,25+,27+,28+,29-,30+,31-,32+,34+,35-,36+/m1/s1",CC(C)=C[C@H]1C[C@@H](C)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1,C36H56O8,pos_1_minus1proton1iron,616.397518752,NWRAOEGVNDIBIM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Kageneckia angustifolia,782145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia angustifolia'],6,2,7.0 5854,8776,-1,,,,0.65217686,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,9.608707427978516 5855,8776,-1,,,,0.65217686,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,9.608707427978516 5856,8775,1297,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5226592,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.590636730194092 5857,8775,1297,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5226592,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.590636730194092 5858,8775,1297,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5226592,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.590636730194092 5859,8775,1297,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5226592,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.590636730194092 5860,8775,1297,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5226592,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.590636730194092 5861,8771,-1,,,,0.7055685,ISDB,JDVDGNAHTZMMBI-UHFFFAOYSA-N,"InChI=1S/C21H36O3/c1-5-7-8-9-10-11-12-13-14-15-16-19-17(3)20(22)18(6-2)21(23-4)24-19/h5-16H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C21H36O3,,336.266445012,JDVDGNAHTZMMBI,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],4,0,6.8222739696502686 5862,8770,3325,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1sodium,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 5863,8770,3325,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1sodium,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,2,9.0 5864,8769,-1,,,,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1proton1ammonium,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5865,8769,-1,,,,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1proton1ammonium,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 5866,8768,-1,,,,0.34489238,ISDB,,,,,,,BRTVYLDZEWQYBZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3795695304870605 5867,8767,-1,,,,0.36774626,ISDB,,,,,,,OTQWGNRJCSNJLH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4709850549697876 5868,8766,2242,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,0.2924031,ISDB,MVJQLUWKSUTHBF-YRGYYVIWSA-N,"InChI=1S/C19H36N2O3/c1-5-17(2)15-13-11-9-7-6-8-10-12-14-16-21(23)20-18(3)19(22)24-4/h14,16-18H,5-13,15H2,1-4H3/b16-14-,21-20?/t17?,18-/m0/s1",CCC(C)CCCCCCCCC/C=C\[N+]([O-])=N[C@@H](C)C(=O)OC,C19H36N2O3,,340.272593012,MVJQLUWKSUTHBF,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.669612407684326 5869,8765,1397,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4648568,ISDB,LMNZSAWWQSPBNF-SIKLNZKXSA-N,"InChI=1S/C22H32O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h9-10,14,19H,7-8,11-13H2,1-6H3/t19-,22+/m0/s1",CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C22H32O2,,328.240230264,LMNZSAWWQSPBNF,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,3,8.359427213668823 5870,8764,-1,,,,0.6835882,ISDB,KWIQOIUKKCNGFZ-UHFFFAOYSA-N,"InChI=1S/C19H22O/c1-12-6-7-15-14-5-4-9-19(2,3)16(14)11-17-18(15)13(12)8-10-20-17/h6-7,11H,4-5,8-10H2,1-3H3",Cc1ccc2c3c(cc4c2c1CCO4)C(C)(C)CCC3,C19H22O,,266.167065324,KWIQOIUKKCNGFZ,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia declinans,3968435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia declinans'],3,0,5.7343528270721436 5871,8764,-1,,,,0.6835882,ISDB,KWIQOIUKKCNGFZ-UHFFFAOYSA-N,"InChI=1S/C19H22O/c1-12-6-7-15-14-5-4-9-19(2,3)16(14)11-17-18(15)13(12)8-10-20-17/h6-7,11H,4-5,8-10H2,1-3H3",Cc1ccc2c3c(cc4c2c1CCO4)C(C)(C)CCC3,C19H22O,,266.167065324,KWIQOIUKKCNGFZ,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia epidendroides,1000226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia epidendroides'],3,0,5.7343528270721436 5872,8763,412,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5004702,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.501880884170532 5873,8762,-1,,,,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5874,8762,-1,,,,0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5875,8762,-1,,,,0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5876,8762,-1,,,,0.0,MS1_match,PGYAYSRVSAJXTE-UHFFFAOYSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3",CC(C=C=C1C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 5877,8762,-1,,,,0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2MCa,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5878,8762,-1,,,,0.0,MS1_match,YNNRPBRNWWIQPQ-MAAFUUECSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2MCa,600.417860272,YNNRPBRNWWIQPQ,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5879,8762,-1,,,,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2MCa,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 5880,8758,-1,,,,0.5010123,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.004049301147461 5881,8757,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.27767017,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,9.11068069934845 5882,8756,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6328487,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.031394720077515 5883,8755,1259,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43249977,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,2,8.72999906539917 5884,8754,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.3067848,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.727139234542847 5885,8753,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.2780184,ISDB,,,,,,,KQGYMMGKJDWLFH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.112073540687561 5886,8752,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.5150039,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,2,10.060015678405762 5887,8751,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.89792454,ISDB,HIRCZOSUMSSTDU-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h5-7,12H,8-10H2,1-4H3",CC1=CCC2(C)CC=CC(C)(C)C23CC13,C15H22,,202.172150704,HIRCZOSUMSSTDU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Widdringtonia whytei,305714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Widdringtonia'],['Widdringtonia whytei'],5,2,9.591698169708252 5888,8751,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.89792454,ISDB,HIRCZOSUMSSTDU-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h5-7,12H,8-10H2,1-4H3",CC1=CCC2(C)CC=CC(C)(C)C23CC13,C15H22,,202.172150704,HIRCZOSUMSSTDU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Cupressus bakeri,828751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Hesperocyparis'],['Hesperocyparis bakeri'],5,2,9.591698169708252 5889,8749,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1proton,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,2,7.0 5890,8748,388,Terpenoids,Triterpenoids,Limonoids,0.23583612,ISDB,NGBICDGUHNVMPO-UCRHFLBXSA-N,"InChI=1S/C30H43NO2/c1-18(2)26(33)23-16-19(17-31-23)20-10-14-30(7)22-8-9-24-27(3,4)25(32)12-13-28(24,5)21(22)11-15-29(20,30)6/h8,16-18,20-21,24,31H,9-15H2,1-7H3/t20-,21-,24?,28+,29-,30+/m0/s1",CC(C)C(=O)c1cc([C@@H]2CC[C@]3(C)C4=CCC5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)c[nH]1,C30H43NO2,,449.329379616,NGBICDGUHNVMPO,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Dysoxylum laxiracemosum,6124834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum laxiracemosum'],3,2,4.943344473838806 5891,8746,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.50853366,ISDB,SGSLKSWEAHEFTA-PKWIELLASA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)/t16-,17-,18+,21-,22-,23+,24-/m1/s1",C[C@@]12C=C[C@@]3(C1)[C@H](CC2)[C@]1(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@@H]3O,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Rhodanthe floribunda,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.53413462638855 5892,8746,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.50853366,ISDB,SGSLKSWEAHEFTA-UHFFFAOYSA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)",CC12C=CC3(C1)C(O)CC1C(C)(COC(=O)CCC(=O)O)CCCC1(C)C3CC2,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helipterum floribundum,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.53413462638855 5893,8745,412,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4541842,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.316736817359924 5894,8742,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.54097635,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.663905382156372 5895,8741,-1,,,,0.64785796,ISDB,HHZXUCYNPCWYJI-XZXHNHHKSA-N,"InChI=1S/C19H28O2/c1-18(2)9-4-10-19(3)15-7-5-13(12-17(20)21)11-14(15)6-8-16(18)19/h6,12,15-16H,4-5,7-11H2,1-3H3,(H,20,21)/b13-12-/t15-,16-,19+/m1/s1",CC1(C)CCC[C@@]2(C)[C@@H]3CC/C(=C/C(=O)O)CC3=CC[C@H]12,C19H28O2,,288.208930136,HHZXUCYNPCWYJI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Perityle emoryi,658077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Perityleae'],['Perityle'],['Perityle emoryi'],3,0,5.5914318561553955 5896,8740,388,Terpenoids,Triterpenoids,Limonoids,0.26712856,ISDB,WVULKSPCQVQLCU-BUXLTGKBSA-N,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C26H43NO5,,449.314123476,WVULKSPCQVQLCU,Terpenoids,Steroids,Cholane steroids,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,1,2.5685142278671265 5897,8740,388,Terpenoids,Triterpenoids,Limonoids,0.26712856,ISDB,WVULKSPCQVQLCU-BUXLTGKBSA-N,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C26H43NO5,,449.314123476,WVULKSPCQVQLCU,Terpenoids,Steroids,Cholane steroids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],1,1,2.5685142278671265 5898,8740,388,Terpenoids,Triterpenoids,Limonoids,0.26712856,ISDB,WVULKSPCQVQLCU-BUXLTGKBSA-N,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C26H43NO5,,449.314123476,WVULKSPCQVQLCU,Terpenoids,Steroids,Cholane steroids,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,1,2.5685142278671265 5899,8738,-1,,,,0.2602912,ISDB,WVULKSPCQVQLCU-BUXLTGKBSA-N,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C26H43NO5,,449.314123476,WVULKSPCQVQLCU,Terpenoids,Steroids,Cholane steroids,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,2.041164755821228 5900,8738,-1,,,,0.2602912,ISDB,WVULKSPCQVQLCU-BUXLTGKBSA-N,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C26H43NO5,,449.314123476,WVULKSPCQVQLCU,Terpenoids,Steroids,Cholane steroids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],1,0,2.041164755821228 5901,8738,-1,,,,0.2602912,ISDB,WVULKSPCQVQLCU-BUXLTGKBSA-N,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C26H43NO5,,449.314123476,WVULKSPCQVQLCU,Terpenoids,Steroids,Cholane steroids,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,0,2.041164755821228 5902,8737,785,Terpenoids,Steroids,Androstane steroids,0.6580383,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.132153272628784 5903,8735,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.55633074,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.725322961807251 5904,8735,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.55633074,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.725322961807251 5905,8734,1259,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3865917,ISDB,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.046366810798645 5906,8734,1259,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3865917,ISDB,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.046366810798645 5907,8733,-1,,,,0.8939274,ISDB,PTOMOLGIAURSGE-WUAOOJMUSA-N,"InChI=1S/C22H31NO3/c1-13-12-23(25)19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)26-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14-,15-,17+,19+,20+,21-,22+,23?/m1/s1",C[C@@H]1C[N+]2([O-])[C@H]3C4=CCC[C@@H]4CC[C@@H]3[C@@]3(C)OC(=O)CC[C@]34CC[C@H]1[C@@H]42,C22H31NO3,,357.230393852,PTOMOLGIAURSGE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum calycinum,816930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum calycinum'],4,0,7.575709581375122 5908,8733,-1,,,,0.8939274,ISDB,PTOMOLGIAURSGE-RFXDVTPESA-N,"InChI=1S/C22H31NO3/c1-13-12-23(25)19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)26-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14+,15-,17+,19+,20+,21-,22+,23?/m1/s1",C[C@@H]1C[N+]2([O-])[C@H]3C4=CCC[C@H]4CC[C@@H]3[C@@]3(C)OC(=O)CC[C@]34CC[C@H]1[C@@H]42,C22H31NO3,,357.230393852,PTOMOLGIAURSGE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum pentandrum,514564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum oldhamii'],4,0,7.575709581375122 5909,8733,-1,,,,0.8939274,ISDB,PTOMOLGIAURSGE-RFXDVTPESA-N,"InChI=1S/C22H31NO3/c1-13-12-23(25)19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)26-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14+,15-,17+,19+,20+,21-,22+,23?/m1/s1",C[C@@H]1C[N+]2([O-])[C@H]3C4=CCC[C@H]4CC[C@@H]3[C@@]3(C)OC(=O)CC[C@]34CC[C@H]1[C@@H]42,C22H31NO3,,357.230393852,PTOMOLGIAURSGE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum oldhamii,514564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum oldhamii'],4,0,7.575709581375122 5910,8732,-1,,,,0.39530808,ISDB,RFITYQYLHDKJQY-MDVAVASXSA-N,"InChI=1S/C17H29N3O4/c1-11(2)5-8-15(21)19-10-13-6-7-14(17(23)24-13)20-16(22)9-12(3)18-4/h11-14,17,23H,5-10H2,1-3H3,(H,19,21)(H,20,22)/t12-,13+,14+,17?/m1/s1",[C-]#[N+][C@H](C)CC(=O)N[C@H]1CC[C@@H](CNC(=O)CCC(C)C)OC1O,C17H29N3O4,,339.215806408,RFITYQYLHDKJQY,Alkaloids,,,Streptomyces thioluteus,40141.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces thioluteus'],0,0,1.5812323093414307 5911,8731,-1,,,,0.7901712,ISDB,OSULXBNEGGTCCA-XXGPQQRCSA-N,"InChI=1S/C20H26O2/c1-11-14-8-12-4-5-17-19(2,7-6-13-10-20(13,17)3)15(12)9-16(14)22-18(11)21/h8,13,15-17H,4-7,9-10H2,1-3H3/t13-,15-,16-,17+,19+,20+/m1/s1",CC1=C2C=C3CC[C@@H]4[C@@]5(C)C[C@H]5CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O,C20H26O2,,298.193280072,OSULXBNEGGTCCA,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Suregada glomerulata,1082259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada glomerulata'],4,0,7.160684823989868 5912,8730,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1proton1ammonium,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,2,7.0 5913,8728,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7581155,ISDB,VLXDPFLIRFYIME-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,10.532461881637573 5914,8728,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7581155,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,10.532461881637573 5915,8727,-1,,,,0.4544102,ISDB,MZXSKLSWTRMINA-UHFFFAOYSA-N,"InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h16-21,24H,2-15H2,1H3",CCCCCCCCCCCCCCCC=Cc1cccc(O)c1,C23H38O,,330.292265836,MZXSKLSWTRMINA,Polyketides,Aromatic polyketides,Catechols with side chains,Schistochila appendiculata,961872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Schistochilaceae'],['Unknown'],['Schistochila'],['Schistochila appendiculata'],3,0,4.817640781402588 5916,8726,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.61805874,ISDB,PDSNLYSELAIEBU-NSOJWWLLSA-N,"InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11?,12?,13-,15+/m0/s1",C=C1C2CCC3[C@H]2C(C)(C)CCC[C@]13C,C15H24,,204.187800768,PDSNLYSELAIEBU,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,2,10.472234964370728 5917,8723,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7666404,ISDB,VLXDPFLIRFYIME-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3",CC1=CCC2C3C(C(C)C)CCC2(C)C13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,3,11.566561698913574 5918,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,3,10.38906455039978 5919,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,10.38906455039978 5920,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,10.38906455039978 5921,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,10.38906455039978 5922,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,3,10.38906455039978 5923,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Endiandra baillonii,6026196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Endiandra'],['Endiandra baillonii'],6,3,10.38906455039978 5924,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Aniba puchury-minor,5699360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba puchury-minor'],6,3,10.38906455039978 5925,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],6,3,10.38906455039978 5926,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Persea tolimanensis,64221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea tolimanensis'],6,3,10.38906455039978 5927,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,10.38906455039978 5928,8719,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.72226614,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cryptocarya cunninghamii,6025940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya cunninghamii'],6,3,10.38906455039978 5929,8717,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.51138985,ISDB,SGSLKSWEAHEFTA-UHFFFAOYSA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)",CC12C=CC3(C1)C(O)CC1C(C)(COC(=O)CCC(=O)O)CCCC1(C)C3CC2,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helipterum floribundum,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.545559406280518 5930,8717,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.51138985,ISDB,SGSLKSWEAHEFTA-PKWIELLASA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)/t16-,17-,18+,21-,22-,23+,24-/m1/s1",C[C@@]12C=C[C@@]3(C1)[C@H](CC2)[C@]1(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@@H]3O,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Rhodanthe floribunda,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.545559406280518 5931,8715,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.38267633,ISDB,,,,,,,JOFHBPZILLCDFF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5307053327560425 5932,8714,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.32254222,ISDB,,,,,,,JOFHBPZILLCDFF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2901688814163208 5933,8713,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7656176,ISDB,VLXDPFLIRFYIME-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3",CC1=CCC2C3C(C(C)C)CCC2(C)C13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,3,11.562470436096191 5934,8712,994,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,DHWHIUKSBPWEHK-QPBLYYNVSA-N,"InChI=1S/C37H60O10/c1-19-11-14-37(31(43)47-30-27(41)26(40)25(39)22(46-30)18-45-8)16-15-34(5)20(28(37)36(19,7)44)9-10-24-33(4)17-21(38)29(42)32(2,3)23(33)12-13-35(24,34)6/h9,19,21-30,38-42,44H,10-18H2,1-8H3/t19-,21-,22-,23+,24-,25-,26+,27-,28-,29+,30+,33+,34-,35-,36-,37+/m1/s1",COC[C@H]1O[C@@H](OC(=O)[C@]23CC[C@@H](C)[C@@](C)(O)[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@@H](O)[C@@H]1O,C37H60O10,pos_2MFe,664.41864812,DHWHIUKSBPWEHK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 5935,8709,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.67832625,ISDB,XDZMPRGFOOFSBL-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)",CCOc1ccccc1C(=O)O,C9H10O3,,166.06299418,XDZMPRGFOOFSBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Castanopsis cuspidata,448681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis cuspidata'],5,1,8.213304996490479 5936,8704,1258,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 5937,8702,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8380889,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.852355718612671 5938,8701,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,LHSSNRACHZBMIY-JPEWKLRBSA-N,"InChI=1S/C34H52O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19-20,24-28H,11-18H2,1-9H3,(H,37,38)/t19-,20+,24-,25+,26-,27+,28+,31+,32-,33-,34+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O,C34H52O6,pos_1_minus1proton1iron,556.376389384,LHSSNRACHZBMIY,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,1,8.5 5939,8700,2426,Terpenoids,Triterpenoids,Spirostane steroids,0.57507664,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,3,7.800306558609009 5940,8698,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.40273082,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],4,3,7.1109232902526855 5941,8698,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.40273082,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],4,3,7.1109232902526855 5942,8698,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.40273082,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Dysoxylum lenticellatum,5747796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum lenticellatum'],4,3,7.1109232902526855 5943,8697,-1,,,,0.47860917,ISDB,RENOKKJLSNZWDC-XLIKFSOKSA-N,"InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t24-,25-,26-,27-,28-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O,C33H53N5O5,,599.404669796,RENOKKJLSNZWDC,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Fusarium,655794.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Unknown'],1,0,2.9144366979599 5944,8695,-1,,,,0.6697534,ISDB,IPQPOTJMSXPTKA-LXWCWMBHSA-N,"InChI=1S/C22H30O2/c1-18(2)14-5-6-15-19(3)9-7-17(24)20(19,4)11-12-22(15)13-21(14,22)10-8-16(18)23/h8,10,14-15H,5-7,9,11-13H2,1-4H3/t14-,15+,19-,20+,21+,22-/m0/s1",CC1(C)C(=O)C=C[C@]23C[C@]24CC[C@]2(C)C(=O)CC[C@@]2(C)[C@H]4CC[C@@H]13,C22H30O2,,326.2245802,IPQPOTJMSXPTKA,Terpenoids,Diterpenoids,,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],3,0,5.67901349067688 5945,8694,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50748885,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.529955387115479 5946,8694,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50748885,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.529955387115479 5947,8694,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50748885,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.529955387115479 5948,8694,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50748885,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.529955387115479 5949,8694,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50748885,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.529955387115479 5950,8693,-1,,,,0.58825827,ISDB,GQRUHVMVWNKUFW-LWYYNNOASA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,9.353033065795898 5951,8692,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.84759176,ISDB,YAMUFBLWGFFICM-PTGWMXDISA-N,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H52NO7P,,521.348139634,YAMUFBLWGFFICM,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,5.890367031097412 5952,8690,-1,,,,0.7739908,ISDB,HOAUCAJOHGDHDA-UHFFFAOYSA-N,"InChI=1S/C34H26O10/c1-39-19-9-5-17(6-10-19)24-15-23(36)29-27(43-24)16-25(42-4)30(32(29)37)31-33(38)28-22(35)13-21(41-3)14-26(28)44-34(31)18-7-11-20(40-2)12-8-18/h5-16,35,37H,1-4H3",COc1ccc(-c2cc(=O)c3c(O)c(-c4c(-c5ccc(OC)cc5)oc5cc(OC)cc(O)c5c4=O)c(OC)cc3o2)cc1,C34H26O10,,594.152597032,HOAUCAJOHGDHDA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Stephania tetrandra,775499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania tetrandra'],4,0,7.0959632396698 5953,8689,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,JBBSYDONQXCLOU-UHFFFAOYSA-N,"InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(30)33-27-24-22-26(23-25-27)29(31)32/h9-10,22-25H,2-8,11-21H2,1H3,(H,31,32)",CCCCCCCCC=CCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C29H46O4,pos_1_1sodium1acetonitrile,458.339609952,JBBSYDONQXCLOU,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 5954,8689,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,JBBSYDONQXCLOU-UHFFFAOYSA-N,"InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(30)33-27-24-22-26(23-25-27)29(31)32/h9-10,22-25H,2-8,11-21H2,1H3,(H,31,32)",CCCCCCCCC=CCCCCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1,C29H46O4,pos_1_1sodium1acetonitrile,458.339609952,JBBSYDONQXCLOU,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 5955,8688,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6799711,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cassia fistula,959676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia fistula'],4,3,8.219884395599365 5956,8688,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6799711,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis var. spectabilis,7055129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,3,8.219884395599365 5957,8688,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6799711,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna racemosa,3917044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna racemosa'],4,3,8.219884395599365 5958,8688,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6799711,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,3,8.219884395599365 5959,8688,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6799711,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Elaeodendron matabelicum,629055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron matabelicum'],4,3,8.219884395599365 5960,8687,256,Fatty acids,Fatty amides,Primary amides,0.7646604,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],3,3,7.558641672134399 5961,8686,256,Fatty acids,Fatty amides,Primary amides,0.7951826,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.68073034286499 5962,8685,-1,,,,0.47718993,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,7.908759713172913 5963,8684,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 5964,8684,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 5965,8684,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,0,6.0 5966,8684,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,0,6.0 5967,8684,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C=CC(O)CCCCC,C8H16O,pos_2MCH3CNNa,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],6,0,6.0 5968,8684,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C=CC(O)CCCCC,C8H16O,pos_2MCH3CNNa,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 5969,8684,-1,,,,0.0,MS1_match,NUJGJRNETVAIRJ-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",CCCCCCCC=O,C8H16O,pos_2MCH3CNNa,128.120115132,NUJGJRNETVAIRJ,Fatty acids,Fatty acyls,Fatty aldehydes,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],6,0,6.0 5970,8683,-1,,,,0.5967035,ISDB,QLYYJDGQTGKQSV-UHFFFAOYSA-N,"InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3",C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C,C28H46O3,,430.344695332,QLYYJDGQTGKQSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Glinus oppositifolius,124988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Molluginaceae'],['Unknown'],['Glinus'],['Glinus oppositifolius'],4,0,6.386814117431641 5971,8682,2408,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44450346,ISDB,ISHVJVXYPLFKAL-AZUAARDMSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.278013825416565 5972,8679,3247,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.40560853,ISDB,DYOXXVQSGJXSDF-ZAXMZARQSA-N,"InChI=1S/C30H40O4/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(31)32)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22-16-19(3)27(33)34-22/h9,16-17,21,23-24H,1,4,8,10-15H2,2-3,5-7H3,(H,31,32)/b22-17-/t21-,23+,24+,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O,C30H40O4,,464.29265976,DYOXXVQSGJXSDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,9.122434139251709 5973,8676,-1,,,,0.0,MS1_match,YKFLAYDHMOASIY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",CC1=CCC(C(C)C)=CC1,C10H16,pos_1_1proton,136.125200512,YKFLAYDHMOASIY,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5974,8676,-1,,,,0.0,MS1_match,NDVASEGYNIMXJL-NXEZZACHSA-N,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1",C=C1CC[C@]2(C(C)C)C[C@H]12,C10H16,pos_1_1proton,136.125200512,NDVASEGYNIMXJL,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5975,8676,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",C=C(C)[C@H]1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5976,8676,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5977,8676,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-DTWKUNHWSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1",C=C1[C@H]2CC[C@H](C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5978,8676,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5979,8676,-1,,,,0.0,MS1_match,MOYAFQVGZZPNRA-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",CC1=CCC(=C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,MOYAFQVGZZPNRA,Terpenoids,Monoterpenoids,,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5980,8676,-1,,,,0.0,MS1_match,OGLDWXZKYODSOB-SNVBAGLBSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",CC1=CC[C@H](C(C)C)C=C1,C10H16,pos_1_1proton,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5981,8676,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",CC1=CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5982,8676,-1,,,,0.0,MS1_match,RRBYUSWBLVXTQN-UICFKRDXSA-N,"InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-,10+",CC1(C)[C@H]2C[C@@H]3[C@H](C2)[C@@]31C,C10H16,pos_1_1proton,136.125200512,RRBYUSWBLVXTQN,Terpenoids,Monoterpenoids,,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,0,7.0 5983,8675,57,Terpenoids,Steroids,Cardenolides,0.5296359,ISDB,VLJUNXZPROHBEG-UHFFFAOYSA-N,"InChI=1S/C35H52O14/c1-16-28(24(38)26(40)31(43)46-16)49-32-27(41)25(39)29(23(14-36)48-32)47-18-5-10-34(15-37)17(13-18)3-4-22-21(34)6-9-33(2)20(7-11-35(22,33)44)19-8-12-45-30(19)42/h8,15-18,20-29,31-32,36,38-41,43-44H,3-7,9-14H2,1-2H3",CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CCOC5=O)CCC43O)C2)C(O)C1O,C35H52O14,,696.3357063440001,VLJUNXZPROHBEG,Terpenoids,Steroids,Cardenolides,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],4,3,7.61854362487793 5984,8675,57,Terpenoids,Steroids,Cardenolides,0.5296359,ISDB,VLJUNXZPROHBEG-UHFFFAOYSA-N,"InChI=1S/C35H52O14/c1-16-28(24(38)26(40)31(43)46-16)49-32-27(41)25(39)29(23(14-36)48-32)47-18-5-10-34(15-37)17(13-18)3-4-22-21(34)6-9-33(2)20(7-11-35(22,33)44)19-8-12-45-30(19)42/h8,15-18,20-29,31-32,36,38-41,43-44H,3-7,9-14H2,1-2H3",CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CCOC5=O)CCC43O)C2)C(O)C1O,C35H52O14,,696.3357063440001,VLJUNXZPROHBEG,Terpenoids,Steroids,Cardenolides,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,3,7.61854362487793 5985,8674,158,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1potassium,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 5986,8673,228,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.0,MS1_match,NLKDRIXWXCDONI-USGXOTKMSA-N,"InChI=1S/C15H24O2/c1-11-6-9-14(2,3)7-5-8-15(4)13(17-15)12(16)10-11/h5-7,12-13,16H,8-10H2,1-4H3/b7-5+,11-6+/t12-,13-,15+/m1/s1",C/C1=C\CC(C)(C)/C=C/C[C@]2(C)O[C@@H]2[C@H](O)C1,C15H24O2,pos_2MNa,236.177630008,NLKDRIXWXCDONI,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 5987,8673,228,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.0,MS1_match,SOTOMHKZAYNRRQ-ULBNJILZSA-N,"InChI=1S/C15H24O2/c1-11-6-5-7-15(3,4)10-14(17)12(2)9-13(16)8-11/h5,7-8,13-14,16-17H,2,6,9-10H2,1,3-4H3/b7-5+,11-8+/t13-,14-/m0/s1",C=C1C[C@@H](O)/C=C(\C)C/C=C/C(C)(C)C[C@@H]1O,C15H24O2,pos_2MNa,236.177630008,SOTOMHKZAYNRRQ,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 5988,8672,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50646436,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,2,10.02585744857788 5989,8672,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50646436,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,2,10.02585744857788 5990,8671,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5278305,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.111321926116943 5991,8671,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5278305,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.111321926116943 5992,8670,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37020183,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,8.980807304382324 5993,8669,-1,,,,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_2MNa,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 5994,8668,-1,,,,0.6436976,ISDB,HPQOXHWVTJYABW-DZGCQCFKSA-N,"InChI=1S/C15H28N2O2/c1-9(2)13-8-14(19)16(11(5)6)15(10(3)4)17(13)12(7)18/h9-11,13,15H,8H2,1-7H3/t13-,15+/m0/s1",CC(=O)N1[C@H](C(C)C)N(C(C)C)C(=O)C[C@H]1C(C)C,C15H28N2O2,,268.215078136,HPQOXHWVTJYABW,Alkaloids,,,Aconitum taipeicum,6131524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum taipeicum'],3,0,5.5747904777526855 5995,8667,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5111288,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.544515132904053 5996,8667,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5111288,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.544515132904053 5997,8666,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39104116,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.064164638519287 5998,8665,2978,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31080437,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.743217468261719 5999,8665,2978,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31080437,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.743217468261719 6000,8664,-1,,,,0.64335835,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,5.5734333992004395 6001,8661,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1sodium,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 6002,8658,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32491747,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.799669861793518 6003,8658,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32491747,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.799669861793518 6004,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus urnigera,974881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus urnigera'],4,0,6.876705884933472 6005,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],4,0,6.876705884933472 6006,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pieris japonica,238775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Lyonieae'],['Pieris'],['Pieris japonica'],4,0,6.876705884933472 6007,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus cinerea,21904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus cinerea'],4,0,6.876705884933472 6008,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus globulus,847929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus globulus'],4,0,6.876705884933472 6009,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus risdoni,7640427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus risdoni'],4,0,6.876705884933472 6010,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Bursera linanoe,921722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera linanoe'],4,0,6.876705884933472 6011,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Bursera penicillata,841958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera penicillata'],4,0,6.876705884933472 6012,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-ZYVCMOTQSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20-,22-,23+,24-,25+,28-,29+,30-,31-,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Euclea natalensis,520661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Euclea'],['Euclea natalensis'],4,0,6.876705884933472 6013,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-UHFFFAOYSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3",CC(=O)OC1CCC2(C)C(CCC3(C)C2C=CC24OC(=O)C5(CCC(C)C(C)C52)CCC34C)C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus pulverulenta,278179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus pulverulenta'],4,0,6.876705884933472 6014,8656,-1,,,,0.7191765,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,0,6.876705884933472 6015,8655,2426,Terpenoids,Triterpenoids,Spirostane steroids,0.67811805,ISDB,KLTLHPPOKSEAFC-YPBBBNSLSA-N,"InChI=1S/C29H44O2/c1-17(2)18-8-9-19-21(30)16-29(7)20(25(18)19)10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-28(23,29)6/h10,17-18,22-24,31H,8-9,11-16H2,1-7H3/t18-,22-,23-,24-,27-,28+,29+/m0/s1",CC(C)[C@@H]1CCC2=C1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2=O,C29H44O2,,424.334130648,KLTLHPPOKSEAFC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Koelpinia linearis,1016037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Koelpinia'],['Koelpinia linearis'],4,2,7.712472200393677 6016,8653,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.25853238,ISDB,WHCFTASMFFLYLQ-KNOXWWKRSA-N,"InChI=1S/C22H36O3/c1-7-21(5,24)14-11-18-16(2)9-10-19-20(4,15-25-17(3)23)12-8-13-22(18,19)6/h7,18-19,24H,1-2,8-15H2,3-6H3/t18-,19-,20-,21-,22+/m0/s1",C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]12C,C22H36O3,,348.266445012,WHCFTASMFFLYLQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,8.5341295003891 6017,8652,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.27715173,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium miczynskii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.6086069345474243 6018,8652,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.27715173,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium soppii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.6086069345474243 6019,8651,3121,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.38025966,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,6.02103865146637 6020,8650,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7229617,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8918468952178955 6021,8649,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5912323,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.86492919921875 6022,8648,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],6,0,6.0 6023,8648,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 6024,8648,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 6025,8648,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus torreyana,635132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus torreyana'],6,0,6.0 6026,8648,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 6027,8648,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,0,6.0 6028,8648,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 6029,8648,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],6,0,6.0 6030,8647,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_3_1proton2sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 6031,8647,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_3_1proton2sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 6032,8646,-1,,,,0.6789889,ISDB,,,,,,,QQFSIGWYINAJOB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7159554958343506 6033,8642,1,Terpenoids,Steroids,Monoalkylresorcinols,0.26158825,ISDB,VBDNBIGLCTYMIY-GXUCJCDRSA-N,"InChI=1S/C24H32O6/c1-13-16-8-10-28-18(16)11-17-21(13)19(29-14(2)25)12-24(27)22(4,5)9-7-20(23(17,24)6)30-15(3)26/h8,10,17,19-21,27H,1,7,9,11-12H2,2-6H3/t17-,19-,20-,21-,23-,24+/m0/s1",C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C,C24H32O6,,416.2198887439999,VBDNBIGLCTYMIY,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,1,4.546352982521057 6034,8642,1,Terpenoids,Steroids,Monoalkylresorcinols,0.26158825,ISDB,VBDNBIGLCTYMIY-GXUCJCDRSA-N,"InChI=1S/C24H32O6/c1-13-16-8-10-28-18(16)11-17-21(13)19(29-14(2)25)12-24(27)22(4,5)9-7-20(23(17,24)6)30-15(3)26/h8,10,17,19-21,27H,1,7,9,11-12H2,2-6H3/t17-,19-,20-,21-,23-,24+/m0/s1",C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C,C24H32O6,,416.2198887439999,VBDNBIGLCTYMIY,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,1,4.546352982521057 6035,8641,-1,,,,0.51406866,ISDB,MHAVMNJPXLZEIG-CNRMHUMKSA-N,"InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O2,,438.349780712,MHAVMNJPXLZEIG,Terpenoids,Triterpenoids,Lupane triterpenoids,Quercus suber,272709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus suber'],5,0,7.056274652481079 6036,8639,-1,,,,0.565138,ISDB,JXSVIVRDWWRQRT-SVOQGVCWSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.260551929473877 6037,8639,-1,,,,0.565138,ISDB,JXSVIVRDWWRQRT-BEELBYNOSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21?,22?,23?,24+,26+,27+,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C,C30H48O5,,488.350174636,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,0,7.260551929473877 6038,8638,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.61680615,ISDB,YVFUWFRLVWFNLF-LAYMWGLGSA-N,"InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21?,22?,23?,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C12,C30H46O4,,470.339609952,YVFUWFRLVWFNLF,Terpenoids,Triterpenoids,Lupane triterpenoids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,3,8.967224597930908 6039,8638,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.61680615,ISDB,YVFUWFRLVWFNLF-LAYMWGLGSA-N,"InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21?,22?,23?,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C12,C30H46O4,,470.339609952,YVFUWFRLVWFNLF,Terpenoids,Triterpenoids,Lupane triterpenoids,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,3,8.967224597930908 6040,8637,-1,,,,0.0,MS1_match,BWDCJRUCCWZCIY-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3",CC=Cc1ccc(OC)c(OC)c1OC,C12H16O3,pos_2MH,208.109944372,BWDCJRUCCWZCIY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,0,7.0 6041,8636,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44810688,ISDB,BBPXZLJCPUPNGH-CMKODMSKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.29242753982544 6042,8635,227,Fatty acids,Diterpenoids,Fatty alcohols,0.31603754,ISDB,BNYWADFAGBPZJB-VJOMLYSMSA-N,"InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3/b15-14+/t16-,17+,20-,21+/m0/s1",COC(=O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C21H36O3,,336.266445012,BNYWADFAGBPZJB,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,2,7.264150142669678 6043,8633,1071,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4566087,ISDB,WTDIRAZPDUAJEB-DJDQUYCGSA-N,"InChI=1S/C21H34O4/c1-14(13-18(22)23)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(24)25-5/h14,16-17H,2,6-13H2,1,3-5H3,(H,22,23)/t14-,16-,17+,20+,21+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC(=O)O,C21H34O4,,350.24570956799994,WTDIRAZPDUAJEB,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],7,3,10.326434850692749 6044,8633,1071,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4566087,ISDB,WTDIRAZPDUAJEB-DJDQUYCGSA-N,"InChI=1S/C21H34O4/c1-14(13-18(22)23)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(24)25-5/h14,16-17H,2,6-13H2,1,3-5H3,(H,22,23)/t14-,16-,17+,20+,21+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC(=O)O,C21H34O4,,350.24570956799994,WTDIRAZPDUAJEB,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.326434850692749 6045,8632,3460,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,0.6982514,ISDB,HLCNZOPEOXZUQN-RFPOMQOQSA-N,"InChI=1S/C19H30O2/c1-11(2)14-6-7-17(5)10-15-12(3)8-16(20)19(15)13(4)9-18(14,17)21-19/h11,13-14,16,20H,6-10H2,1-5H3/t13-,14-,16-,17-,18+,19+/m1/s1",CC1=C2C[C@@]3(C)CC[C@H](C(C)C)[C@@]34C[C@@H](C)[C@@]2(O4)[C@H](O)C1,C19H30O2,,290.2245802,HLCNZOPEOXZUQN,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Plicanthus hirtellus,428570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Anastrophyllaceae'],['Unknown'],['Plicanthus'],['Plicanthus hirtellus'],3,3,7.293005704879761 6046,8631,-1,,,,0.38275102,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,7.531004071235657 6047,8631,-1,,,,0.38275102,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.531004071235657 6048,8628,329,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,0.5808345,ISDB,AMZWKSYAMHGGSR-IPYPFGDCSA-N,"InChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h5-6,8,12-13,16H,7,9-10H2,1-4H3/t12-,13+,15+/m1/s1",CC1=CC=C[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12,C15H24O,,220.182715388,AMZWKSYAMHGGSR,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.323338031768799 6049,8627,-1,,,,0.0,MS1_match,IZCSLJUDQLFLNO-YYGQYJBBSA-N,"InChI=1S/C39H54O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,31-,36-,37+,38-,39-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(COC(=O)/C=C/c4ccc(O)c(O)c4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C39H54O7,pos_1_1sodium,634.386954068,IZCSLJUDQLFLNO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,7.0 6050,8627,-1,,,,0.0,MS1_match,IZCSLJUDQLFLNO-YYGQYJBBSA-N,"InChI=1S/C39H54O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,31-,36-,37+,38-,39-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(COC(=O)/C=C/c4ccc(O)c(O)c4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C39H54O7,pos_1_1sodium,634.386954068,IZCSLJUDQLFLNO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,7.0 6051,8627,-1,,,,0.0,MS1_match,CGUVDUJUXIATLL-QPLVNVOKSA-N,"InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)25(26(39)22-34)9-11-30-35(3)15-14-31(42)36(4,29(35)13-16-38(30,37)6)23-46-32(43)12-8-24-7-10-27(40)28(41)21-24/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30-,31+,35+,36+,37-,38-,39+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)/C=C/c6ccc(O)c(O)c6)[C@@H]5CC[C@]43C)[C@H]2C1,C39H54O7,pos_1_1sodium,634.386954068,CGUVDUJUXIATLL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,0,7.0 6052,8627,-1,,,,0.0,MS1_match,DYNMMAFSXUQKOH-QPLVNVOKSA-N,"InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)25(26(39)22-34)9-11-30-35(3)15-14-31(36(4,23-40)29(35)13-16-38(30,37)6)46-32(43)12-8-24-7-10-27(41)28(42)21-24/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30-,31+,35+,36+,37-,38-,39+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1,C39H54O7,pos_1_1sodium,634.386954068,DYNMMAFSXUQKOH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,0,7.0 6053,8627,-1,,,,0.0,MS1_match,SAYWOIZAPMGEFK-CODPKKIVSA-N,"InChI=1S/C39H54O7/c1-23(2)25-13-18-39(34(44)45)20-19-37(5)26(33(25)39)9-11-30-35(3)16-15-31(36(4,22-40)29(35)14-17-38(30,37)6)46-32(43)12-8-24-7-10-27(41)28(42)21-24/h7-8,10,12,21,25-26,29-31,33,40-42H,1,9,11,13-20,22H2,2-6H3,(H,44,45)/b12-8+/t25-,26+,29+,30+,31-,33+,35-,36-,37+,38+,39-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O7,pos_1_1sodium,634.386954068,SAYWOIZAPMGEFK,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,0,7.0 6054,8627,-1,,,,0.0,MS1_match,ZTNOAHJHQOCVJC-ZSIJTDDESA-N,"InChI=1S/C36H58O8/c1-21(37)42-23-19-25-33(6)15-13-26(43-29(39)20-28(38)41-10)31(2,3)24(33)12-17-34(25,7)35(8)16-11-22(30(23)35)36(9)18-14-27(44-36)32(4,5)40/h22-27,30,40H,11-20H2,1-10H3/t22-,23+,24-,25+,26+,27+,30-,33-,34+,35+,36-/m0/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](OC(C)=O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C36H58O8,pos_1_1potassium,618.4131688159999,ZTNOAHJHQOCVJC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 6055,8627,-1,,,,0.0,MS1_match,ZTNOAHJHQOCVJC-ZSIJTDDESA-N,"InChI=1S/C36H58O8/c1-21(37)42-23-19-25-33(6)15-13-26(43-29(39)20-28(38)41-10)31(2,3)24(33)12-17-34(25,7)35(8)16-11-22(30(23)35)36(9)18-14-27(44-36)32(4,5)40/h22-27,30,40H,11-20H2,1-10H3/t22-,23+,24-,25+,26+,27+,30-,33-,34+,35+,36-/m0/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](OC(C)=O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C36H58O8,pos_1_1potassium,618.4131688159999,ZTNOAHJHQOCVJC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 6056,8626,-1,,,,0.45204937,ISDB,MYQAIYGVAHDZRD-JUIQTESCSA-N,"InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,19-21,23,25,27,30H,7,12,14-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H44O,,408.339216028,MYQAIYGVAHDZRD,Terpenoids,Steroids,Ergostane steroids,Actinidia chinensis var. deliciosa,279986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia deliciosa'],4,0,5.808197498321533 6057,8625,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78765327,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.650613069534302 6058,8625,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78765327,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.650613069534302 6059,8624,2731,Terpenoids,Diterpenoids,Abietane diterpenoids,0.29261175,ISDB,SERPESJFVFFAKV-QRVBRYPASA-N,"InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(OO)CCC[C@]21C,C19H28O2,,288.208930136,SERPESJFVFFAKV,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,7.670446991920471 6060,8623,-1,,,,0.50324595,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.012983798980713 6061,8623,-1,,,,0.50324595,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.012983798980713 6062,8623,-1,,,,0.50324595,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.012983798980713 6063,8623,-1,,,,0.50324595,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,9.012983798980713 6064,8623,-1,,,,0.50324595,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,9.012983798980713 6065,8620,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,BLKMDORKRDACEI-OVKLUEDNSA-N,"InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21)/t9-,10-,11+,12-,15+/m1/s1",COc1cc(C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H20O10,pos_1_1proton1methanol,360.1056468399999,BLKMDORKRDACEI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 6066,8620,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1isopropanol,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 6067,8620,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1isopropanol,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 6068,8619,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.654734,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,3,8.11893606185913 6069,8619,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.654734,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,3,8.11893606185913 6070,8619,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.654734,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,3,8.11893606185913 6071,8619,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.654734,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,3,8.11893606185913 6072,8619,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.654734,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,3,8.11893606185913 6073,8619,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.654734,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,3,8.11893606185913 6074,8619,1797,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.654734,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,8.11893606185913 6075,8618,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41156507,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],4,3,7.1462602615356445 6076,8618,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41156507,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],4,3,7.1462602615356445 6077,8618,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41156507,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Dysoxylum lenticellatum,5747796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum lenticellatum'],4,3,7.1462602615356445 6078,8617,-1,,,,0.2789679,ISDB,NALVTDNTCXJYHM-NOLLWRDOSA-N,"InChI=1S/C20H28O7/c1-2-3-4-5-6-8-11-15(12-9-7-10-13-21)26-20-19(25)18(24)17(23)16(14-22)27-20/h2-3,9,12,15-25H,7,10-11,13-14H2,1H3/b3-2+,12-9+/t15-,16-,17-,18+,19-,20-/m1/s1",C/C=C/C#CC#CC[C@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C20H28O7,,380.183503236,NALVTDNTCXJYHM,,,,Codonopsis cordifolioidea,3893808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Codonopsis'],['Codonopsis cordifolioidea'],4,0,5.115871548652649 6079,8617,-1,,,,0.2789679,ISDB,NALVTDNTCXJYHM-NOLLWRDOSA-N,"InChI=1S/C20H28O7/c1-2-3-4-5-6-8-11-15(12-9-7-10-13-21)26-20-19(25)18(24)17(23)16(14-22)27-20/h2-3,9,12,15-25H,7,10-11,13-14H2,1H3/b3-2+,12-9+/t15-,16-,17-,18+,19-,20-/m1/s1",C/C=C/C#CC#CC[C@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C20H28O7,,380.183503236,NALVTDNTCXJYHM,,,,Platycodon grandiflorus,141088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Platycodon'],['Platycodon grandiflorus'],4,0,5.115871548652649 6080,8617,-1,,,,0.2789679,ISDB,NALVTDNTCXJYHM-NOLLWRDOSA-N,"InChI=1S/C20H28O7/c1-2-3-4-5-6-8-11-15(12-9-7-10-13-21)26-20-19(25)18(24)17(23)16(14-22)27-20/h2-3,9,12,15-25H,7,10-11,13-14H2,1H3/b3-2+,12-9+/t15-,16-,17-,18+,19-,20-/m1/s1",C/C=C/C#CC#CC[C@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C20H28O7,,380.183503236,NALVTDNTCXJYHM,,,,Platycodon grandiflorum,141088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Platycodon'],['Platycodon grandiflorus'],4,0,5.115871548652649 6081,8616,-1,,,,0.29539725,ISDB,YHAQQFNSEZLLPM-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-9-15(2)8-7-13(17-9)10-5-3-4-6-11(10)14-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,14,16)",CC1OC2(CCN1C)C(=O)Nc1ccccc12,C13H16N2O2,,232.121177752,YHAQQFNSEZLLPM,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Arundo donax,659304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundineae'],['Arundo'],['Arundo donax'],4,0,5.1815890073776245 6082,8614,3237,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.58355665,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.834226608276367 6083,8608,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.64224637,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cassia fistula,959676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia fistula'],4,3,8.06898546218872 6084,8608,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.64224637,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis var. spectabilis,7055129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,3,8.06898546218872 6085,8608,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.64224637,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna racemosa,3917044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna racemosa'],4,3,8.06898546218872 6086,8608,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.64224637,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,3,8.06898546218872 6087,8608,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.64224637,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Elaeodendron matabelicum,629055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron matabelicum'],4,3,8.06898546218872 6088,8607,-1,,,,0.4876812,ISDB,QFXTWLGVOHRXRN-STADAPJBSA-N,"InChI=1S/C30H50O3/c1-19-9-14-30(18-32)16-15-28(5)21(25(30)20(19)2)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h7,19-20,22-25,31-33H,8-18H2,1-6H3/t19-,20+,22-,23-,24+,25+,26+,27+,28-,29-,30-/m1/s1",C[C@H]1[C@H](C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H50O3,,458.37599546,QFXTWLGVOHRXRN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sorbus decora,426112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus decora'],6,0,7.950724840164185 6089,8606,2123,Terpenoids,Triterpenoids,Lupane triterpenoids,0.51148367,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,11.545934677124023 6090,8605,-1,,,,0.5919415,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.3677659034729 6091,8604,256,Fatty acids,Fatty amides,Primary amides,0.7866266,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.646506309509277 6092,8603,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.59914947,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.896597862243652 6093,8602,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2733763,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,5.593505144119263 6094,8602,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2733763,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,5.593505144119263 6095,8602,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2733763,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,5.593505144119263 6096,8602,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2733763,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,5.593505144119263 6097,8602,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2733763,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,5.593505144119263 6098,8601,-1,,,,0.0,MS1_match,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,pos_1_1sodium,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 6099,8600,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.60937756,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.937510251998901 6100,8599,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28555855,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,5.642234206199646 6101,8599,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28555855,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,5.642234206199646 6102,8599,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28555855,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,5.642234206199646 6103,8599,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28555855,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,5.642234206199646 6104,8599,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28555855,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,5.642234206199646 6105,8598,2731,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5176437,ISDB,OXKJXQWUKRTLGT-QGZVFWFLSA-N,"InChI=1S/C19H26O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h6,10-12,17,20H,5,7-9H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2,C19H26O,,270.198365452,OXKJXQWUKRTLGT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,2,6.070574760437012 6106,8597,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 6107,8597,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 6108,8597,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,0,6.0 6109,8597,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1sodium1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,0,6.0 6110,8597,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C=CC(O)CCCCC,C8H16O,pos_2MCH3CNNa,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],6,0,6.0 6111,8597,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C=CC(O)CCCCC,C8H16O,pos_2MCH3CNNa,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 6112,8597,-1,,,,0.0,MS1_match,NUJGJRNETVAIRJ-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",CCCCCCCC=O,C8H16O,pos_2MCH3CNNa,128.120115132,NUJGJRNETVAIRJ,Fatty acids,Fatty acyls,Fatty aldehydes,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],6,0,6.0 6113,8596,-1,,,,0.36557686,ISDB,GTZFQWLOIJEDDS-JHEUPGEVSA-N,"InChI=1S/C39H56O6/c1-23(2)25-14-17-39(22-40)19-18-37(6)26(33(25)39)10-12-31-36(5)21-29(43)34(35(3,4)30(36)15-16-38(31,37)7)45-32(44)13-9-24-8-11-27(41)28(42)20-24/h8-9,11,13,20,25-26,29-31,33-34,40-43H,1,10,12,14-19,21-22H2,2-7H3/b13-9+/t25-,26+,29+,30-,31+,33+,34-,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O6,,620.4076895119999,GTZFQWLOIJEDDS,Terpenoids,Triterpenoids,Lupane triterpenoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,8.462307453155518 6114,8595,256,Fatty acids,Fatty amides,Primary amides,0.78661245,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.64644980430603 6115,8594,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6006237,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cassia fistula,959676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia fistula'],4,3,7.90249490737915 6116,8594,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6006237,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis var. spectabilis,7055129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,3,7.90249490737915 6117,8594,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6006237,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna racemosa,3917044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna racemosa'],4,3,7.90249490737915 6118,8594,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6006237,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,3,7.90249490737915 6119,8594,1110,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6006237,ISDB,QPRMGHKASRLPJP-FGTMMUONSA-N,"InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C18H35NO2,,297.26677936,QPRMGHKASRLPJP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Elaeodendron matabelicum,629055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron matabelicum'],4,3,7.90249490737915 6120,8592,255,Terpenoids,Triterpenoids,Ergostane steroids,0.2895059,ISDB,ZUDJUVFQGPNIMI-VEOWTCKXSA-N,"InChI=1S/C25H36O4/c1-15(14-26)16-8-10-23(5)17-9-11-25-18(6-7-19(27)21(25,2)3)24(17,20(28)29-25)13-12-22(16,23)4/h9,11,15-18,26H,6-8,10,12-14H2,1-5H3/t15-,16-,17+,18+,22-,23+,24+,25-/m1/s1",C[C@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CCC(=O)C5(C)C,C25H36O4,,400.261359632,ZUDJUVFQGPNIMI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],3,2,5.1580235958099365 6121,8591,3759,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 6122,8591,3759,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 6123,8590,255,Terpenoids,Triterpenoids,Ergostane steroids,0.45002407,ISDB,RENFBQSMEYXGMZ-FRILPNNXSA-N,"InChI=1S/C25H34O3/c1-14(2)8-7-9-15(3)20-13-25-16(4)12-19(20)21(26)24(25,6)11-10-18-17(5)23(27)28-22(18)25/h8,12,17-20,22H,3,7,9-11,13H2,1-2,4-6H3/t17-,18-,19+,20-,22-,24-,25+/m0/s1",C=C(CCC=C(C)C)[C@@H]1C[C@]23C(C)=C[C@H]1C(=O)[C@]2(C)CC[C@H]1[C@H](C)C(=O)O[C@@H]13,C25H34O3,,382.250794948,RENFBQSMEYXGMZ,Terpenoids,,,Artemisia herba-alba,693395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia herba-alba'],3,1,5.300096273422241 6124,8588,1088,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GOQGGGANVKPMNH-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3",COc1cc(CC=O)ccc1O,C9H10O3,pos_1_1proton,166.06299418,GOQGGGANVKPMNH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 6125,8586,2242,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,0.29406378,ISDB,MVJQLUWKSUTHBF-YRGYYVIWSA-N,"InChI=1S/C19H36N2O3/c1-5-17(2)15-13-11-9-7-6-8-10-12-14-16-21(23)20-18(3)19(22)24-4/h14,16-18H,5-13,15H2,1-4H3/b16-14-,21-20?/t17?,18-/m0/s1",CCC(C)CCCCCCCCC/C=C\[N+]([O-])=N[C@@H](C)C(=O)OC,C19H36N2O3,,340.272593012,MVJQLUWKSUTHBF,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.6762551069259644 6126,8585,-1,,,,0.54787767,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.1915106773376465 6127,8584,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,LHSSNRACHZBMIY-JPEWKLRBSA-N,"InChI=1S/C34H52O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19-20,24-28H,11-18H2,1-9H3,(H,37,38)/t19-,20+,24-,25+,26-,27+,28+,31+,32-,33-,34+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O,C34H52O6,pos_1_minus1proton1iron,556.376389384,LHSSNRACHZBMIY,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,1,8.5 6128,8577,1167,Terpenoids,Steroids,Lupane triterpenoids,0.62657756,ISDB,IMLYZVRFONVJHK-ZKQVNDDQSA-N,"InChI=1S/C27H40O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-19,21H,6-15H2,1-5H3/t16-,17+,18+,19-,21+,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H]6CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)C(=O)O6,C27H40O3,,412.29774514,IMLYZVRFONVJHK,Terpenoids,Triterpenoids,Lupane triterpenoids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,3,8.006310224533081 6129,8576,-1,,,,0.66958743,ISDB,QSGWYNZJMJBMQN-HXDMISFPSA-N,"InChI=1S/C27H38O2/c1-16-10-13-27(28-15-16)18(3)25-24(29-27)14-23-22-9-8-19-17(2)6-5-7-20(19)21(22)11-12-26(23,25)4/h5-7,16,18,21-25H,8-15H2,1-4H3/t16-,18+,21-,22-,23+,24+,25+,26+,27-/m1/s1",Cc1cccc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)O[C@]1(CC[C@@H](C)CO1)[C@H]3C,C27H38O2,,394.28718045599993,QSGWYNZJMJBMQN,Terpenoids,Steroids,Spirostane steroids,Yucca gloriosa,436114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Yucca'],['Yucca gloriosa'],4,0,6.678349733352661 6130,8574,2448,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.52350086,ISDB,HHDNTTOUNUERTJ-RBSSRLJISA-N,"InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-23-28(5)17-21(38-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22?,23-,24+,25+,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@](C(=O)O)(CC[C@@H](C)[C@@]4(C)O)CC[C@]23C)C(C)(C)[C@H]1O,C32H50O6,,530.36073932,HHDNTTOUNUERTJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Musanga cecropioides,4729816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Musanga'],['Musanga cecropioides'],4,3,7.594003438949585 6131,8574,2448,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.52350086,ISDB,HHDNTTOUNUERTJ-BGJCYSRJSA-N,"InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-23-28(5)17-21(38-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22+,23-,24-,25+,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O,C32H50O6,,530.3607393199999,HHDNTTOUNUERTJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cecropia pachystachya,3907842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Cecropia'],['Cecropia pachystachya'],4,3,7.594003438949585 6132,8573,2620,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.6799229,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,3,8.219691514968872 6133,8572,2307,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.64342475,ISDB,GDRSZELJWZGRKC-GPHNJDIKSA-N,"InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)29(31)27(25)28-26-18(6)10-12-22(16(3)4)24(26)14-20(8)30(28)32/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21-,22-/m0/s1",Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C,C30H42O2,,434.318480584,GDRSZELJWZGRKC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heritiera ornithocephala,6118824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Heritiera'],['Heritiera ornithocephala'],4,2,7.573698997497559 6134,8571,-1,,,,0.0,MS1_match,DNXHEGUUPJUMQT-HPFXQQBRSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16-,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=O,C18H22O2,pos_2MH,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 6135,8569,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.29848543,ISDB,ZWEBYMYJDLNXNN-PMACEKPBSA-N,"InChI=1S/C21H38O4/c22-17-20(23)18-25-21(24)16-10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15-19/h11,14,19-20,22-23H,1-10,12-13,15-18H2/t19-,20-/m0/s1",O=C(CCCCCCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO,C21H38O4,,354.277009696,ZWEBYMYJDLNXNN,Fatty acids,Glycerolipids,Monoacylglycerols,Hydnocarpus castaneus,584153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Pangieae'],['Hydnocarpus'],['Hydnocarpus anthelminthicus'],4,3,6.693941712379456 6136,8569,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.29848543,ISDB,ZWEBYMYJDLNXNN-PMACEKPBSA-N,"InChI=1S/C21H38O4/c22-17-20(23)18-25-21(24)16-10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15-19/h11,14,19-20,22-23H,1-10,12-13,15-18H2/t19-,20-/m0/s1",O=C(CCCCCCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO,C21H38O4,,354.277009696,ZWEBYMYJDLNXNN,Fatty acids,Glycerolipids,Monoacylglycerols,Hydnocarpus anthelminthicus,584153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Pangieae'],['Hydnocarpus'],['Hydnocarpus anthelminthicus'],4,3,6.693941712379456 6137,8564,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.30107668,ISDB,ZWEBYMYJDLNXNN-PMACEKPBSA-N,"InChI=1S/C21H38O4/c22-17-20(23)18-25-21(24)16-10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15-19/h11,14,19-20,22-23H,1-10,12-13,15-18H2/t19-,20-/m0/s1",O=C(CCCCCCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO,C21H38O4,,354.277009696,ZWEBYMYJDLNXNN,Fatty acids,Glycerolipids,Monoacylglycerols,Hydnocarpus anthelminthicus,584153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Pangieae'],['Hydnocarpus'],['Hydnocarpus anthelminthicus'],4,3,6.704306721687317 6138,8564,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.30107668,ISDB,ZWEBYMYJDLNXNN-PMACEKPBSA-N,"InChI=1S/C21H38O4/c22-17-20(23)18-25-21(24)16-10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15-19/h11,14,19-20,22-23H,1-10,12-13,15-18H2/t19-,20-/m0/s1",O=C(CCCCCCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO,C21H38O4,,354.277009696,ZWEBYMYJDLNXNN,Fatty acids,Glycerolipids,Monoacylglycerols,Hydnocarpus castaneus,584153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Pangieae'],['Hydnocarpus'],['Hydnocarpus anthelminthicus'],4,3,6.704306721687317 6139,8563,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.35093677,ISDB,ZBJGGLXQNXXXRO-VCZRHBNQSA-N,"InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h7-12,15-17,19H,4-6,13-14H2,1-3H3/b8-7+,10-9+,12-11+/t15-,16+,17+/m0/s1",CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1C,C17H29NO,,263.224914548,ZBJGGLXQNXXXRO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],3,0,4.403747081756592 6140,8562,-1,,,,0.40459344,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.61837375164032 6141,8561,-1,,,,0.6068601,ISDB,DFNMEZDDQABOQT-DBKYOHCFSA-N,"InChI=1S/C32H48O6/c1-19(33)38-24-11-12-29(5)22-9-8-20-21-18-27(2,3)14-15-28(21,4)16-17-32(20,26(36)37)30(22,6)13-10-23(29)31(24,7)25(34)35/h8,21-24H,9-18H2,1-7H3,(H,34,35)(H,36,37)/t21-,22+,23+,24+,28+,29+,30+,31-,32+/m0/s1",CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C(=O)O)[C@]1(C)C(=O)O,C32H48O6,,528.3450892559999,DFNMEZDDQABOQT,Terpenoids,Triterpenoids,Oleanane triterpenoids,Mukdenia rossii,756726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Mukdenia'],['Mukdenia rossii'],5,0,7.427440404891968 6142,8560,103,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5145503,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,3,10.558201313018799 6143,8559,-1,,,,0.41787827,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,7.671513080596924 6144,8556,-1,,,,0.5886664,ISDB,JXSVIVRDWWRQRT-BEELBYNOSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21?,22?,23?,24+,26+,27+,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C,C30H48O5,,488.350174636,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,0,7.354665517807007 6145,8556,-1,,,,0.5886664,ISDB,JXSVIVRDWWRQRT-SVOQGVCWSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.354665517807007 6146,8554,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.63878626,ISDB,KVTOPOITUALWOF-UYAOXDASSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,18,21H,6-8H2,1-5H3/t18-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@H]1C(=O)C2=O,C20H26O3,,314.188194692,KVTOPOITUALWOF,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.055145025253296 6147,8551,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76572496,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.562899827957153 6148,8551,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76572496,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.562899827957153 6149,8551,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76572496,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.562899827957153 6150,8551,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76572496,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.562899827957153 6151,8551,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76572496,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.562899827957153 6152,8550,-1,,,,0.50639266,ISDB,ODFCWXVQZAQDSO-CMKODMSKSA-N,"InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C20H30O2,,302.2245802,ODFCWXVQZAQDSO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,9.025570631027222 6153,8548,-1,,,,0.37666854,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.50667417049408 6154,8547,690,Terpenoids,Steroids,Spirostane steroids,0.5621535,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,3,7.748614072799683 6155,8546,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.53083485,ISDB,VLXDPFLIRFYIME-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3",CC1=CCC2C3C(C(C)C)CCC2(C)C13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,3,10.623339414596558 6156,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.581759452819824 6157,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.581759452819824 6158,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.581759452819824 6159,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.581759452819824 6160,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.581759452819824 6161,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.581759452819824 6162,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.581759452819824 6163,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.581759452819824 6164,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.581759452819824 6165,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.581759452819824 6166,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.581759452819824 6167,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.581759452819824 6168,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.581759452819824 6169,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.581759452819824 6170,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.581759452819824 6171,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.581759452819824 6172,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.581759452819824 6173,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.581759452819824 6174,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.581759452819824 6175,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.581759452819824 6176,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.581759452819824 6177,8541,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.52043986,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.581759452819824 6178,8540,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6575987,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.630394697189331 6179,8539,-1,,,,0.47603974,ISDB,AYDJDNNMKHXZOQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C(=O)O)C1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,7.90415894985199 6180,8538,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65683913,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,10.12735652923584 6181,8538,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65683913,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,10.12735652923584 6182,8538,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65683913,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,10.12735652923584 6183,8538,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65683913,ISDB,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,10.12735652923584 6184,8537,2095,Terpenoids,Triterpenoids,Serratane triterpenoids,0.60111535,ISDB,FDQQJDSRVSMJPR-LVMULPTPSA-N,"InChI=1S/C31H46O3/c1-19(32)34-26-13-15-29(6)24(28(26,4)5)12-16-30(7)25(29)10-9-22-21-17-27(2,3)14-11-20(21)23(33)18-31(22,30)8/h9,24-26H,10-18H2,1-8H3/t24-,25+,26-,29-,30+,31+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4C5=C(CCC(C)(C)C5)C(=O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C31H46O3,,466.344695332,FDQQJDSRVSMJPR,Terpenoids,Triterpenoids,Serratane triterpenoids,Marah macrocarpa,1066437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Sicyoeae'],['Marah'],['Marah macrocarpa'],4,3,7.90446138381958 6185,8536,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6407677,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.563070774078369 6186,8535,1853,Terpenoids,Triterpenoids,Glutinane triterpenoids,0.6011647,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,3,9.904658794403076 6187,8534,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,IACKKVBKKNJZGN-UHFFFAOYSA-N,"InChI=1S/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCO,C25H52O,pos_1_1potassium,368.401816284,IACKKVBKKNJZGN,Fatty acids,Fatty acyls,Fatty alcohols,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 6188,8532,-1,,,,0.537405,ISDB,OGARMHBKUCJUTA-CKSLAKHHSA-N,"InChI=1S/C27H30O8/c1-14(29)35-27-11-6-16-17(26(27,13-28)10-8-18-24(27)34-18)7-9-25(2)20(15-4-5-19(30)33-12-15)22(31)23(32-3)21(16)25/h4-5,12-13,16-18,20,24H,6-11H2,1-3H3/t16-,17+,18-,20+,24-,25-,26+,27+/m1/s1",COC1=C2[C@@H]3CC[C@]4(OC(C)=O)[C@@H]5O[C@@H]5CC[C@]4(C=O)[C@H]3CC[C@]2(C)[C@@H](c2ccc(=O)oc2)C1=O,C27H30O8,,482.19406792,OGARMHBKUCJUTA,Terpenoids,Steroids,Bufadienolides,Bersama abyssinica,115743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Francoaceae'],['Unknown'],['Bersama'],['Bersama abyssinica'],3,0,5.149620056152344 6189,8531,3238,Terpenoids,Meroterpenoids,Merosesquiterpenoids,0.4727374,ISDB,ASCPFLQSHKBTRD-FWXQPYBBSA-N,"InChI=1S/C27H38O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18,28-29H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14-",CC(C)=CCC/C(=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)C(=O)O,C27H38O4,,426.2770096959999,ASCPFLQSHKBTRD,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Roldana barba-johannis,863995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana barba-johannis'],3,3,6.390949606895447 6190,8530,3238,Terpenoids,Meroterpenoids,Merosesquiterpenoids,0.52512604,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],3,1,5.600504159927368 6191,8528,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.65708315,ISDB,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.128332614898682 6192,8525,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WHTAFFKLEKGYBI-OMUOAVPCSA-N,"InChI=1S/C35H54O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(36)18-42-28/h8,21-28,36-38,41H,1,9-18H2,2-7H3,(H,39,40)/t21-,22+,23+,24-,25-,26+,27+,28-,31-,32+,33+,34-,35-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O,C35H54O8,pos_1_minus1proton1iron,602.381868688,WHTAFFKLEKGYBI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,2,7.0 6193,8523,-1,,,,0.73884654,ISDB,PKMBOLUTQNQQBP-UHFFFAOYSA-N,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3",CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(=O)CCC6(C)C5C=CC4(OC2)C3C1C,C30H46O2,,438.349780712,PKMBOLUTQNQQBP,Terpenoids,Triterpenoids,Bauerane triterpenoids,Salvia mellifera,1609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia mellifera'],4,0,6.955386161804199 6194,8523,-1,,,,0.73884654,ISDB,PKMBOLUTQNQQBP-MJFBQLCDSA-N,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3/t19-,20+,21+,22-,24-,26+,27-,28+,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@H]13,C30H46O2,,438.349780712,PKMBOLUTQNQQBP,Terpenoids,Triterpenoids,Bauerane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,6.955386161804199 6195,8521,147,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.46270767,ISDB,BXCDNFMSWNBZGR-PKIGEZQHSA-N,"InChI=1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22+,23-,24+,27+,30+,31-,32-,33+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C33H50O6,,542.36073932,BXCDNFMSWNBZGR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,3,7.350830674171448 6196,8520,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54860634,ISDB,KBHLNNQHHPFDSG-FMDGVMLRSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15-/t16-,18+/m1/s1",CCCCCCCCCCCCC/C=C1\C(=O)O[C@H](C)[C@@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Mollinedia marliae,6027960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Monimiaceae'],['Unknown'],['Mollinedia'],['Mollinedia marliae'],4,3,7.694425344467163 6197,8520,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54860634,ISDB,KBHLNNQHHPFDSG-DBTFZPMKSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15+/t16-,18+/m0/s1",CCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Aiouea trinervis,993906.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea trinervis'],4,3,7.694425344467163 6198,8520,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54860634,ISDB,KBHLNNQHHPFDSG-SODZWGKZSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15-/t16-,18-/m1/s1",CCCCCCCCCCCCC/C=C1\C(=O)O[C@H](C)[C@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Litsea akoensis,5699247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea akoensis'],4,3,7.694425344467163 6199,8520,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54860634,ISDB,KBHLNNQHHPFDSG-SODZWGKZSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15-/t16-,18-/m1/s1",CCCCCCCCCCCCC/C=C1\C(=O)O[C@H](C)[C@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Litsea coreana,366214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea coreana'],4,3,7.694425344467163 6200,8520,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54860634,ISDB,KBHLNNQHHPFDSG-YIBWVLRXSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15+/t16-,18-/m0/s1",CCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Machilus wangchiana,587977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus wangchiana'],4,3,7.694425344467163 6201,8519,33,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,VZPCWSKCBLYYSO-WFHLZTHJSA-N,"InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-23H,9-18H2,1-7H3/t20-,21-,22-,23-,28-,29+,30-/m0/s1",CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@H]12,C30H46O2,pos_2MFe,438.349780712,VZPCWSKCBLYYSO,Terpenoids,Triterpenoids,Serratane triterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,1,7.5 6202,8515,-1,,,,0.64814603,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,0,6.592584133148193 6203,8515,-1,,,,0.64814603,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,0,6.592584133148193 6204,8515,-1,,,,0.64814603,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,0,6.592584133148193 6205,8515,-1,,,,0.64814603,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,6.592584133148193 6206,8515,-1,,,,0.64814603,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,0,6.592584133148193 6207,8515,-1,,,,0.64814603,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,0,6.592584133148193 6208,8515,-1,,,,0.64814603,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,0,6.592584133148193 6209,8514,-1,,,,0.69749093,ISDB,,,,,,,MKVKNQHYFLINOW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.789963722229004 6210,8511,987,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,QYGPFTLXAZGSEF-JXLDSLNTSA-N,"InChI=1S/C30H52O5/c1-24(2)19-9-13-27(6)20(26(19,5)12-10-21(24)32)17-18(31)23-28(27,7)15-16-30(23,34)29(8)14-11-22(35-29)25(3,4)33/h18-23,31-34H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,26+,27-,28-,29-,30-/m1/s1",CC(C)(O)[C@H]1CC[C@](C)([C@@]2(O)CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O5,pos_1_1sodium,492.381474764,QYGPFTLXAZGSEF,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 6211,8511,987,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,GTRLKOLLAMWWRB-XQWKPYBISA-N,"InChI=1S/C30H52O5/c1-18(2)19(31)9-14-29(8,34)30(35)16-15-28(7)24(30)20(32)17-22-26(5)12-11-23(33)25(3,4)21(26)10-13-27(22,28)6/h19-24,31-35H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23-,24-,26+,27-,28-,29+,30-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O5,pos_1_1sodium,492.381474764,GTRLKOLLAMWWRB,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 6212,8511,987,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,XLMGQIWAQRLJOD-DMDPLUFTSA-N,"InChI=1S/C30H52O5/c1-24(2,33)12-9-13-29(8,34)30(35)17-16-28(7)23(30)19(31)18-21-26(5)14-11-22(32)25(3,4)20(26)10-15-27(21,28)6/h9,12,19-23,31-35H,10-11,13-18H2,1-8H3/b12-9+/t19-,20+,21+,22+,23-,26+,27-,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O5,pos_1_1sodium,492.381474764,XLMGQIWAQRLJOD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 6213,8506,813,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FYWCDZKQBWSMDD-KBLVSCMSSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(34-13)35-18-7-6-15(11-19(18)32-2)24-17(12-28)16-9-14(5-4-8-27)10-20(33-3)25(16)36-24/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17+,21-,22+,23+,24+,26-/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C26H34O10,pos_2MMg,506.215197288,FYWCDZKQBWSMDD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 6214,8506,813,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FYWCDZKQBWSMDD-KBLVSCMSSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(34-13)35-18-7-6-15(11-19(18)32-2)24-17(12-28)16-9-14(5-4-8-27)10-20(33-3)25(16)36-24/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17+,21-,22+,23+,24+,26-/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C26H34O10,pos_2MMg,506.215197288,FYWCDZKQBWSMDD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 6215,8506,813,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,OZOQXURHSVUEDM-WFLFRUIMSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17+,21-,22+,23+,24-,26+/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_2MMg,506.215197288,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 6216,8506,813,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,OZOQXURHSVUEDM-WFLFRUIMSA-N,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(35-13)34-12-17-16-9-14(5-4-8-27)10-20(33-3)25(16)36-24(17)15-6-7-18(28)19(11-15)32-2/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17+,21-,22+,23+,24-,26+/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C26H34O10,pos_2MMg,506.215197288,OZOQXURHSVUEDM,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 6217,8500,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5948042,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.879216909408569 6218,8497,557,Amino acids and Peptides,Small peptides,Dipeptides,0.54937583,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.197503328323364 6219,8497,557,Amino acids and Peptides,Small peptides,Dipeptides,0.54937583,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.197503328323364 6220,8496,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32107943,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.7843177318573 6221,8496,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32107943,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.7843177318573 6222,8493,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_3_1proton2sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 6223,8493,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_3_1proton2sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 6224,8492,-1,,,,0.5459894,ISDB,GZOFBXLMLDTZJM-QFIPXVFZSA-N,"InChI=1S/C28H32O6/c1-15(2)7-6-8-16(3)9-11-18-24(31)20-14-22(30)28(4,5)34-27(20)23-25(32)19-13-17(29)10-12-21(19)33-26(18)23/h7,9-10,12-13,22,29-31H,6,8,11,14H2,1-5H3/t22-/m0/s1",CC(C)=CCCC(C)=CCc1c(O)c2c(c3c(=O)c4cc(O)ccc4oc13)OC(C)(C)[C@@H](O)C2,C28H32O6,,464.219888744,GZOFBXLMLDTZJM,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Cratoxylum cochinchinense,382590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Cratoxyleae'],['Cratoxylum'],['Cratoxylum cochinchinense'],3,0,5.183957576751709 6225,8489,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31229094,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,8.749163746833801 6226,8488,69,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.82506585,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.800263404846191 6227,8487,557,Amino acids and Peptides,Small peptides,Dipeptides,0.58704513,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.848180532455444 6228,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania cordifolia,803876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordifolia'],3,3,7.586492300033569 6229,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania parviflora,6056508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania parviflora'],3,3,7.586492300033569 6230,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania banisteriae,7051520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania hirsutissima'],3,3,7.586492300033569 6231,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania congesta,3899922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania congesta'],3,3,7.586492300033569 6232,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina corsica,130304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina corsica'],3,3,7.586492300033569 6233,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina insularis,313201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina insularis'],3,3,7.586492300033569 6234,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Micromeria juliana,596693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria juliana'],3,3,7.586492300033569 6235,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],3,3,7.586492300033569 6236,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],3,3,7.586492300033569 6237,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],3,3,7.586492300033569 6238,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia elegans,80342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia elegans'],3,3,7.586492300033569 6239,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia littoralis,859241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia littoralis'],3,3,7.586492300033569 6240,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],3,3,7.586492300033569 6241,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Juniperus excelsa,283344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus excelsa'],3,3,7.586492300033569 6242,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,7.586492300033569 6243,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],3,3,7.586492300033569 6244,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cedrela odorata,481677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Cedrela'],['Cedrela odorata'],3,3,7.586492300033569 6245,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mastigophora diclados,94620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Mastigophoraceae'],['Unknown'],['Mastigophora'],['Mastigophora diclados'],3,3,7.586492300033569 6246,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Halocarpus kirkii,309855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus kirkii'],3,3,7.586492300033569 6247,8484,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7716231,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],3,3,7.586492300033569 6248,8483,69,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.81856346,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.774253845214844 6249,8480,-1,,,,0.752001,ISDB,XWYXUMDVQIOAPR-UWVGGRQHSA-N,"InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O,C12H22N2O2,,226.168127944,XWYXUMDVQIOAPR,Amino acids and Peptides,Small peptides,Dipeptides,Kandelia candel,973786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Kandelia'],['Kandelia candel'],3,0,6.0080039501190186 6250,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania cordifolia,803876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordifolia'],3,3,7.583727121353149 6251,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania parviflora,6056508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania parviflora'],3,3,7.583727121353149 6252,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania banisteriae,7051520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania hirsutissima'],3,3,7.583727121353149 6253,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania congesta,3899922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania congesta'],3,3,7.583727121353149 6254,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina corsica,130304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina corsica'],3,3,7.583727121353149 6255,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina insularis,313201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina insularis'],3,3,7.583727121353149 6256,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Micromeria juliana,596693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria juliana'],3,3,7.583727121353149 6257,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],3,3,7.583727121353149 6258,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],3,3,7.583727121353149 6259,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],3,3,7.583727121353149 6260,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia elegans,80342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia elegans'],3,3,7.583727121353149 6261,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia littoralis,859241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia littoralis'],3,3,7.583727121353149 6262,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],3,3,7.583727121353149 6263,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Juniperus excelsa,283344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus excelsa'],3,3,7.583727121353149 6264,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,7.583727121353149 6265,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],3,3,7.583727121353149 6266,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cedrela odorata,481677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Cedrela'],['Cedrela odorata'],3,3,7.583727121353149 6267,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mastigophora diclados,94620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Mastigophoraceae'],['Unknown'],['Mastigophora'],['Mastigophora diclados'],3,3,7.583727121353149 6268,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Halocarpus kirkii,309855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus kirkii'],3,3,7.583727121353149 6269,8479,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7709318,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],3,3,7.583727121353149 6270,8478,-1,,,,0.4913869,ISDB,,,,,,,XIKDQDXWYVAHNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9655475616455078 6271,8475,382,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3435887,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.874354839324951 6272,8473,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.75593317,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0237326622009277 6273,8471,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5335105,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.134042024612427 6274,8471,557,Amino acids and Peptides,Small peptides,Dipeptides,0.5335105,ISDB,GMAWSFXIELFLDC-UHFFFAOYSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3",CCC1=CC2=C(C)C=CC2=C(C)CC1,C14H18,,186.140850576,GMAWSFXIELFLDC,,,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.134042024612427 6275,8470,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5385035,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.6540141105651855 6276,8470,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5385035,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.6540141105651855 6277,8468,267,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59368587,ISDB,GQRUHVMVWNKUFW-LWYYNNOASA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.874743461608887 6278,8467,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5222803,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.589121103286743 6279,8467,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5222803,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.589121103286743 6280,8467,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5222803,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.589121103286743 6281,8466,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7548494,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.019397497177124 6282,8464,1218,Amino acids and Peptides,Small peptides,Dipeptides,0.6997802,ISDB,XIQXUFYJMBDYSU-CIUDSAMLSA-N,"InChI=1S/C11H20N2O2/c1-5-7(4)9-11(15)12-8(6(2)3)10(14)13-9/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC1=O,C11H20N2O2,,212.15247788,XIQXUFYJMBDYSU,Amino acids and Peptides,Small peptides,Dipeptides,Ophiocordyceps sinensis,610202.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Ophiocordycipitaceae'],['Unknown'],['Ophiocordyceps'],['Ophiocordyceps sinensis'],1,3,5.299120903015137 6283,8463,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.8295235,ISDB,INUWBHWKAMVTNU-UHFFFAOYSA-N,"InChI=1S/C13H14/c1-3-12-10(2)8-9-11-6-4-5-7-13(11)12/h4-9H,3H2,1-2H3",CCc1c(C)ccc2ccccc12,C13H14,,170.109550448,INUWBHWKAMVTNU,Shikimates and Phenylpropanoids,,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,1,6.81809401512146 6284,8462,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.52208596,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.588343858718872 6285,8459,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5446476,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.678590297698975 6286,8459,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5446476,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.678590297698975 6287,8458,1218,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",CCc1ccccc1,C8H10,pos_2MH,106.07825032,YNQLUTRBYVCPMQ,Shikimates and Phenylpropanoids,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 6288,8454,382,Terpenoids,Diterpenoids,Labdane diterpenoids,0.33114398,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.824575901031494 6289,8453,762,Terpenoids,Diterpenoids,Abietane diterpenoids,0.57771313,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.810852527618408 6290,8453,762,Terpenoids,Diterpenoids,Abietane diterpenoids,0.57771313,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.810852527618408 6291,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,1,6.5 6292,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 6293,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea torano,1091066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea torano'],6,1,6.5 6294,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 6295,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 6296,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 6297,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 6298,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Larix sukaczewii,100086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sukaczewii'],6,1,6.5 6299,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,1,6.5 6300,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 6301,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 6302,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,1,6.5 6303,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,1,6.5 6304,8450,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 6305,8448,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.71767867,ISDB,VTUZIFHLLUSULC-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8-10H,5,7H2,1-4H3",CC1=Cc2c(C(C)C)ccc(C)c2CC1,C15H20,,200.15650064,VTUZIFHLLUSULC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,3,10.370714664459229 6306,8446,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.2537273,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.514909148216248 6307,8443,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76573557,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.562942266464233 6308,8443,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76573557,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.562942266464233 6309,8443,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76573557,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.562942266464233 6310,8443,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76573557,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.562942266464233 6311,8443,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.76573557,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.562942266464233 6312,8442,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8802908,ISDB,,,,,,,HEALIQQDEGDSLS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.52116322517395 6313,8440,-1,,,,0.6728121,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6912484169006348 6314,8439,762,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59493405,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.879736185073853 6315,8439,762,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59493405,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.879736185073853 6316,8438,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,RSKFXMDGCXLBAK-FFZDEPCBSA-N,"InChI=1S/C27H44O4/c1-17(2)13-23(29)31-22-14-19-20(30-18(3)28)15-21-24(4,5)9-8-10-26(21,7)27(19)12-11-25(22,6)16-27/h17,19-22H,8-16H2,1-7H3/t19-,20+,21+,22-,25+,26+,27+/m1/s1",CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]23CC[C@@](C)(C2)[C@H](OC(=O)CC(C)C)C[C@H]13,C27H44O4,pos_1_1sodium1acetonitrile,432.323959888,RSKFXMDGCXLBAK,Terpenoids,Diterpenoids,Villanovane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 6317,8437,-1,,,,0.23181812,ISDB,DQYLYINTYRNUAK-AKACLTSDSA-N,"InChI=1S/C30H46O4/c1-19(2)23-14-18-30(7)25(28(23,5)16-15-26(31)32)12-11-24-22(13-17-29(24,30)6)20(3)9-8-10-21(4)27(33)34/h10,22-25H,1,3,8-9,11-18H2,2,4-7H3,(H,31,32)(H,33,34)/b21-10+/t22-,23+,24-,25+,28+,29-,30-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C,C30H46O4,,470.339609952,DQYLYINTYRNUAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.9272724986076355 6318,8436,491,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.5772182,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.808872699737549 6319,8435,2989,Alkaloids,Tetramate alkaloids,Pyrrocidine tetramate alkaloids,0.45301023,ISDB,,,,,,,MRTUWVDDQVMUCR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.81204092502594 6320,8433,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.35575044,ISDB,,,,,,,YEAIUPNMKZIGAT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.423001766204834 6321,8432,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.87131834,ISDB,,,,,,,HEALIQQDEGDSLS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.4852733612060547 6322,8428,86,Alkaloids,Guanidine alkaloids,Tricyclic guanidine alkaloids,0.7409928,ISDB,CBLDAFLGMLRBJJ-PAPYEOQZSA-N,"InChI=1S/C17H27N3/c1-3-4-5-6-7-13-11(2)10-12-8-9-14-15(12)16(13)20-17(18)19-14/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3,(H3,18,19,20)/t11-,12+,14+,15-/m1/s1",CCCC=CCC1=C2NC(=N)N[C@H]3CC[C@@H](C[C@H]1C)[C@@H]23,C17H27N3,,273.220497864,CBLDAFLGMLRBJJ,Alkaloids,Guanidine alkaloids,Tricyclic guanidine alkaloids,Biemna laboutei,2837385.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Biemnida'],['Biemnidae'],['Unknown'],['Biemna'],['Biemna laboutei'],1,3,5.463971138000488 6323,8427,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7574785,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.529913902282715 6324,8426,3177,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4713886,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.385554432868958 6325,8424,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7641588,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.55663514137268 6326,8422,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.23808064,ISDB,GHPIXCFNRDYEIY-GOBAYKAJSA-N,"InChI=1S/C27H36O4/c1-24(2)20(28)10-11-26(4)22(24)19(31-23(30)17-8-6-5-7-9-17)14-18-15-21(29)25(3)12-13-27(18,26)16-25/h5-9,18-20,22,28H,10-16H2,1-4H3/t18-,19+,20-,22-,25-,26-,27-/m0/s1",CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@@]3(C)CC[C@]12C3,C27H36O4,,424.261359632,GHPIXCFNRDYEIY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],4,0,4.952322542667389 6327,8419,491,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.5815695,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.8262779712677 6328,8418,86,Alkaloids,Guanidine alkaloids,Tricyclic guanidine alkaloids,0.73866504,ISDB,CBLDAFLGMLRBJJ-PAPYEOQZSA-N,"InChI=1S/C17H27N3/c1-3-4-5-6-7-13-11(2)10-12-8-9-14-15(12)16(13)20-17(18)19-14/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3,(H3,18,19,20)/t11-,12+,14+,15-/m1/s1",CCCC=CCC1=C2NC(=N)N[C@H]3CC[C@@H](C[C@H]1C)[C@@H]23,C17H27N3,,273.220497864,CBLDAFLGMLRBJJ,Alkaloids,Guanidine alkaloids,Tricyclic guanidine alkaloids,Biemna laboutei,2837385.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Biemnida'],['Biemnidae'],['Unknown'],['Biemna'],['Biemna laboutei'],1,3,5.454660177230835 6329,8417,-1,,,,0.50553876,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.022155046463013 6330,8417,-1,,,,0.50553876,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,8.022155046463013 6331,8415,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38069275,ISDB,WSKGRAGZAQRSED-UFYCRDLUSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.022771000862122 6332,8415,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38069275,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],7,3,10.022771000862122 6333,8414,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4501052,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.300420761108398 6334,8413,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.21964872,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.378594875335693 6335,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Endiandra baillonii,6026196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Endiandra'],['Endiandra baillonii'],6,3,10.281720399856567 6336,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Aniba puchury-minor,5699360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba puchury-minor'],6,3,10.281720399856567 6337,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,10.281720399856567 6338,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cryptocarya cunninghamii,6025940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya cunninghamii'],6,3,10.281720399856567 6339,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,3,10.281720399856567 6340,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,10.281720399856567 6341,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],6,3,10.281720399856567 6342,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,10.281720399856567 6343,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,3,10.281720399856567 6344,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,10.281720399856567 6345,8412,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6954301,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Persea tolimanensis,64221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea tolimanensis'],6,3,10.281720399856567 6346,8410,-1,,,,0.3591679,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,8.436671614646912 6347,8409,2966,Polyketides,Meroterpenoids,Cadinane sesquiterpenoids,0.73438054,ISDB,ITXIHEUMAQMSJE-SWRJLBSHSA-N,"InChI=1S/C17H22O2/c1-9-7-11(18)13-12(8-9)19-17(4)6-5-10-14(17)15(13)16(10,2)3/h7-8,10,14-15,18H,5-6H2,1-4H3/t10-,14+,15+,17+/m1/s1",Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@@H]3[C@H]1[C@H]2C3(C)C,C17H22O2,,258.161979944,ITXIHEUMAQMSJE,Polyketides,Meroterpenoids,,Rhododendron anthopogon,128305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogon'],3,2,6.9375221729278564 6348,8409,2966,Polyketides,Meroterpenoids,Cadinane sesquiterpenoids,0.73438054,ISDB,ITXIHEUMAQMSJE-SWRJLBSHSA-N,"InChI=1S/C17H22O2/c1-9-7-11(18)13-12(8-9)19-17(4)6-5-10-14(17)15(13)16(10,2)3/h7-8,10,14-15,18H,5-6H2,1-4H3/t10-,14+,15+,17+/m1/s1",Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@@H]3[C@H]1[C@H]2C3(C)C,C17H22O2,,258.161979944,ITXIHEUMAQMSJE,Polyketides,Meroterpenoids,,Rhododendron anthopogonoides,5759940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogonoides'],3,2,6.9375221729278564 6349,8408,2966,Polyketides,Meroterpenoids,Cadinane sesquiterpenoids,0.6307669,ISDB,BVWSXPXKZJKORS-UHFFFAOYSA-N,"InChI=1S/C15H18O2/c1-9(2)5-6-14-11(4)12-8-13(16)10(3)7-15(12)17-14/h5,7-8,16H,6H2,1-4H3",CC(C)=CCc1oc2cc(C)c(O)cc2c1C,C15H18O2,,230.130679816,BVWSXPXKZJKORS,Polyketides,,,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,1,10.023067712783813 6350,8405,1365,Terpenoids,Steroids,Cardenolides,0.561689,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.746756076812744 6351,8404,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,MKEYDVIGPFSUDP-HPICJHQDSA-N,"InChI=1S/C34H54O7/c1-18-7-8-20(29(38)39)19-11-15-33(5)21(26(18)19)9-10-24-32(4)14-13-25(31(2,3)23(32)12-16-34(24,33)6)41-30-28(37)27(36)22(35)17-40-30/h9,18-20,22-28,30,35-37H,7-8,10-17H2,1-6H3,(H,38,39)/t18-,19+,20+,22-,23+,24+,25-,26-,27-,28+,30+,32-,33+,34+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21,C34H54O7,pos_1_minus1proton1iron,574.386954068,MKEYDVIGPFSUDP,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 6352,8403,1365,Terpenoids,Steroids,Cardenolides,0.57528025,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.80112099647522 6353,8402,-1,,,,0.5183464,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,10.07338571548462 6354,8400,215,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.5831961,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.832784414291382 6355,8399,1875,Terpenoids,Diterpenoids,Androstane steroids,0.72439617,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.397584676742554 6356,8398,335,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 6357,8397,-1,,,,0.6615657,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,0,7.646262884140015 6358,8397,-1,,,,0.6615657,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],5,0,7.646262884140015 6359,8397,-1,,,,0.6615657,ISDB,RWNHLTKFBKYDOJ-IJDLJTCJSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19?,20-,21?,22?,23+,26+,27+,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1,C30H48O5,,488.350174636,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Quercus serrata,429766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus serrata'],5,0,7.646262884140015 6360,8397,-1,,,,0.6615657,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica gale,79360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Myrica'],['Myrica gale'],5,0,7.646262884140015 6361,8397,-1,,,,0.6615657,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Morella esculenta,223079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella esculenta'],5,0,7.646262884140015 6362,8397,-1,,,,0.6615657,ISDB,RWNHLTKFBKYDOJ-DDHMHSPCSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.646262884140015 6363,8397,-1,,,,0.6615657,ISDB,RWNHLTKFBKYDOJ-WLVUEYHVSA-N,"InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27+,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O5,,488.3501746359999,RWNHLTKFBKYDOJ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Castanopsis fissa,651161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis fissa'],5,0,7.646262884140015 6364,8396,1453,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7953582,ISDB,CKPBBEOJHAPPBT-UHFFFAOYSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN,C21H44NO7P,,453.2855393779999,CKPBBEOJHAPPBT,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,3,8.681432723999023 6365,8395,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5220972,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.588388681411743 6366,8395,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5220972,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.588388681411743 6367,8394,-1,,,,0.4985481,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,8.994192361831665 6368,8394,-1,,,,0.4985481,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,8.994192361831665 6369,8392,1875,Terpenoids,Diterpenoids,Androstane steroids,0.7049269,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.319707632064819 6370,8390,255,Terpenoids,Triterpenoids,Ergostane steroids,0.3954528,ISDB,QQWIUBKPPNCYMY-JHYKCHHWSA-N,"InChI=1S/C28H40O4/c1-15-18-10-12-27(5)21(26(18,4)14-20(29)22(15)30)8-7-19-17-13-25(2,3)11-9-16(17)23(31)24(32)28(19,27)6/h7,16-18,21,24,30,32H,8-14H2,1-6H3/t16-,17+,18-,21+,24-,26-,27+,28-/m0/s1",CC1=C(O)C(=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)[C@H](O)[C@@]4(C)[C@]3(C)CC[C@@H]12,C28H40O4,,440.29265976,QQWIUBKPPNCYMY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Physena madagascariensis,684979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Physenaceae'],['Unknown'],['Physena'],['Physena madagascariensis'],3,2,5.581811189651489 6371,8389,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53116304,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.624652147293091 6372,8389,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53116304,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.624652147293091 6373,8389,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53116304,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.624652147293091 6374,8389,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53116304,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.624652147293091 6375,8389,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53116304,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.624652147293091 6376,8388,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.641513,ISDB,LTXWQSYUEDMABQ-WFXMLNOXSA-N,"InChI=1S/C21H28O3/c1-12(2)13-9-14-15(10-16(13)23-5)21-8-6-7-20(3,4)18(21)11-17(14)24-19(21)22/h9-10,12,17-18H,6-8,11H2,1-5H3/t17-,18-,21-/m0/s1",COc1cc2c(cc1C(C)C)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1,C21H28O3,,328.203844756,LTXWQSYUEDMABQ,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis formosensis,800340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis formosensis'],5,3,9.066051959991455 6377,8384,1917,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",0.0,MS1_match,OVSVTCFNLSGAMM-OUOOUFEBSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H62,pos_1_minus1proton1iron,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 6378,8384,1917,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",0.0,MS1_match,OVSVTCFNLSGAMM-OUOOUFEBSA-N,"InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C40H62,pos_1_minus1proton1iron,542.485151984,OVSVTCFNLSGAMM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, Ψ-Ψ)",Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 6379,8383,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 6380,8383,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 6381,8383,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 6382,8383,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 6383,8383,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_1_1sodium,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 6384,8383,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_1_1sodium,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 6385,8382,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.72923493,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,3,8.416939735412598 6386,8382,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.72923493,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,3,8.416939735412598 6387,8382,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.72923493,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,3,8.416939735412598 6388,8382,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.72923493,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,3,8.416939735412598 6389,8382,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.72923493,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,3,8.416939735412598 6390,8382,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.72923493,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,3,8.416939735412598 6391,8382,1348,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.72923493,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.416939735412598 6392,8379,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.71590835,ISDB,PKMBOLUTQNQQBP-UHFFFAOYSA-N,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3",CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(=O)CCC6(C)C5C=CC4(OC2)C3C1C,C30H46O2,,438.349780712,PKMBOLUTQNQQBP,Terpenoids,Triterpenoids,Bauerane triterpenoids,Salvia mellifera,1609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia mellifera'],4,2,7.863633394241333 6393,8379,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.71590835,ISDB,PKMBOLUTQNQQBP-MJFBQLCDSA-N,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3/t19-,20+,21+,22-,24-,26+,27-,28+,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@H]13,C30H46O2,,438.349780712,PKMBOLUTQNQQBP,Terpenoids,Triterpenoids,Bauerane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,2,7.863633394241333 6394,8378,2928,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.31453016,ISDB,DQYLYINTYRNUAK-AKACLTSDSA-N,"InChI=1S/C30H46O4/c1-19(2)23-14-18-30(7)25(28(23,5)16-15-26(31)32)12-11-24-22(13-17-29(24,30)6)20(3)9-8-10-21(4)27(33)34/h10,22-25H,1,3,8-9,11-18H2,2,4-7H3,(H,31,32)(H,33,34)/b21-10+/t22-,23+,24-,25+,28+,29-,30-/m1/s1",C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C,C30H46O4,,470.339609952,DQYLYINTYRNUAK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,8.758120656013489 6395,8377,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.50448036,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,2,10.017921447753906 6396,8376,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,RGZSQWQPBWRIAQ-HUUCEWRRSA-N,"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m1/s1",CC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C)CC1,C15H26O,pos_1_1proton1acetonitrile,222.198365452,RGZSQWQPBWRIAQ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,1,7.5 6397,8373,200,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.62111235,ISDB,BUOYQGLRFDDTLB-KBIKRTHESA-N,"InChI=1S/C29H46O4/c1-24(2)13-15-29(23(31)32)16-14-26(4)18(19(29)17-24)7-8-20-25(3)11-10-22(30)28(6,33)21(25)9-12-27(20,26)5/h7,19-22,30,33H,8-17H2,1-6H3,(H,31,32)/t19-,20?,21+,22-,25+,26+,27+,28-,29-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1,C29H46O4,,458.3396099519999,BUOYQGLRFDDTLB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Gypsophila oldhamiana,5143825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Gypsophila'],['Gypsophila oldhamiana'],3,3,6.98444938659668 6398,8372,3171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2417423,ISDB,YCLLXMHNUCXRQO-KXXNKQMISA-N,"InChI=1S/C34H52O7/c1-21(11-10-16-30(4,5)38)24-14-17-32(8)25(24)12-13-26-33(32,9)28(40-23(3)36)19-27-31(6,7)41-29(37)15-18-34(26,27)20-39-22(2)35/h11,19,24-26,28,38H,10,12-18,20H2,1-9H3/b21-11-/t24-,25+,26-,28+,32+,33-,34-/m0/s1",CC(=O)OC[C@]12CCC(=O)OC(C)(C)C1=C[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@H]2[C@H](/C(C)=C\CCC(C)(C)O)CC[C@]21C,C34H52O7,,572.371304004,YCLLXMHNUCXRQO,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cleome ovalifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],4,2,5.966969192028046 6399,8372,3171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2417423,ISDB,YCLLXMHNUCXRQO-KXXNKQMISA-N,"InChI=1S/C34H52O7/c1-21(11-10-16-30(4,5)38)24-14-17-32(8)25(24)12-13-26-33(32,9)28(40-23(3)36)19-27-31(6,7)41-29(37)15-18-34(26,27)20-39-22(2)35/h11,19,24-26,28,38H,10,12-18,20H2,1-9H3/b21-11-/t24-,25+,26-,28+,32+,33-,34-/m0/s1",CC(=O)OC[C@]12CCC(=O)OC(C)(C)C1=C[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@H]2[C@H](/C(C)=C\CCC(C)(C)O)CC[C@]21C,C34H52O7,,572.371304004,YCLLXMHNUCXRQO,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cleome droserifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],4,2,5.966969192028046 6400,8371,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5115905,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,3,10.546361923217773 6401,8365,792,Terpenoids,Diterpenoids,Bufadienolides,0.229292,ISDB,OUDIAGBGSBUTLH-IWIIRVLKSA-N,"InChI=1S/C24H32O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,11,13,16-20,25-26,28H,4-5,7-10,12H2,1-2H3/t16-,17-,18-,19+,20+,22+,23+,24+/m1/s1",C[C@@]12[C@@H](c3ccc(=O)oc3)CC[C@]1(O)[C@@H]1CCC3=C[C@H](O)CC[C@]3(C)[C@H]1C[C@@H]2O,C24H32O5,,400.224974124,OUDIAGBGSBUTLH,Terpenoids,Steroids,Bufadienolides,Drimia maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,3,5.417168021202087 6402,8365,792,Terpenoids,Diterpenoids,Bufadienolides,0.229292,ISDB,OUDIAGBGSBUTLH-IWIIRVLKSA-N,"InChI=1S/C24H32O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,11,13,16-20,25-26,28H,4-5,7-10,12H2,1-2H3/t16-,17-,18-,19+,20+,22+,23+,24+/m1/s1",C[C@@]12[C@@H](c3ccc(=O)oc3)CC[C@]1(O)[C@@H]1CCC3=C[C@H](O)CC[C@]3(C)[C@H]1C[C@@H]2O,C24H32O5,,400.224974124,OUDIAGBGSBUTLH,Terpenoids,Steroids,Bufadienolides,Urginea maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,3,5.417168021202087 6403,8362,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5888139,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,6.855255603790283 6404,8360,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,IHFACKVTKFGBBA-UVAHLJQVSA-N,"InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)45-40/h11-24,33-34,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39+,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H58O5,pos_2MCa,618.428424956,IHFACKVTKFGBBA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa foetida,858747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa foetida'],6,1,6.5 6405,8360,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,WWUKNXCHIOGECP-WUGUVYSPSA-N,"InChI=1S/C40H58O5/c1-28(17-13-18-30(3)21-22-40(44)37(7,8)25-33(42)27-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)45-34/h11-23,32-34,41-44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,38+,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H58O5,pos_2MCa,618.428424956,WWUKNXCHIOGECP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa foetida,858747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa foetida'],6,1,6.5 6406,8360,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,WWUKNXCHIOGECP-WUGUVYSPSA-N,"InChI=1S/C40H58O5/c1-28(17-13-18-30(3)21-22-40(44)37(7,8)25-33(42)27-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)45-34/h11-23,32-34,41-44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,38+,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H58O5,pos_2MCa,618.428424956,WWUKNXCHIOGECP,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Rosa foetida,858747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa foetida'],6,1,6.5 6407,8358,792,Terpenoids,Diterpenoids,Bufadienolides,0.0,MS1_match,VDPJWHMYWDZZGX-ISARSNTHSA-N,"InChI=1S/C19H30O4/c1-13-8-9-16-18(2,10-5-11-19(16,3)17(22)23)15(13)7-4-6-14(21)12-20/h15-16,20H,1,4-12H2,2-3H3,(H,22,23)/t15-,16+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCCC(=O)CO,C19H30O4,pos_1_1proton1dmso,322.21440944,VDPJWHMYWDZZGX,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,2,7.0 6408,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-RBBHKJGASA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4-,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C\C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bellidiastrum michelii,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.290029406547546 6409,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Aster bellidiastrum,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.290029406547546 6410,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Greenmaniella resinosa,400169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Greenmaniella'],['Greenmaniella resinosa'],3,3,6.290029406547546 6411,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia australis,673550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia australis'],3,3,6.290029406547546 6412,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],3,3,6.290029406547546 6413,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pleiotaxis rugosa,996682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Dicomeae'],['Pleiotaxis'],['Pleiotaxis rugosa'],3,3,6.290029406547546 6414,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-GZESPCIDSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4?,15-13+,17-16?",C=CCCCC/C=C/C=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],3,3,6.290029406547546 6415,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.290029406547546 6416,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.290029406547546 6417,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia merckii,404241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia merckii'],3,3,6.290029406547546 6418,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis longula,7602247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis longula'],3,3,6.290029406547546 6419,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis venusta,5794545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis venusta'],3,3,6.290029406547546 6420,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Calea ternifolia,5794515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea ternifolia'],3,3,6.290029406547546 6421,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-NLBXNPPRSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13-,17-16-",C=CCCCC/C=C\C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bidens campylotheca,711728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens campylotheca'],3,3,6.290029406547546 6422,8357,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44750735,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pityopsis graminifolia var. graminifolia,177992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pityopsis'],['Pityopsis graminifolia'],3,3,6.290029406547546 6423,8356,214,Terpenoids,Diterpenoids,Cassane diterpenoids,0.42360964,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.194438576698303 6424,8356,214,Terpenoids,Diterpenoids,Cassane diterpenoids,0.42360964,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.194438576698303 6425,8355,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.70674795,ISDB,,,,,,,WCMSFBRREKZZFL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8269917964935303 6426,8353,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3596285,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.938513994216919 6427,8352,3543,Terpenoids,Triterpenoids,Limonoids,0.8230879,ISDB,XYFUPHKWDUUJGG-QNZZVYMUSA-N,"InChI=1S/C26H32O6/c1-22(2)16-9-20(28)32-25(5)21-15(30-18(10-17(22)27)24(16,21)4)11-23(3)14(13-6-7-29-12-13)8-19-26(23,25)31-19/h6-7,12,14-16,18-19,21H,8-11H2,1-5H3/t14-,15+,16?,18-,19+,21?,23-,24+,25+,26+/m0/s1",CC1(C)C(=O)C[C@@H]2O[C@@H]3C[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]54[C@]4(C)OC(=O)CC1[C@@]2(C)C34,C26H32O6,,440.219888744,XYFUPHKWDUUJGG,Terpenoids,Triterpenoids,Limonoids,Toona ciliata,448727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Toona'],['Toona ciliata'],3,3,7.792351484298706 6428,8350,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.2571734,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium miczynskii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.5286935567855835 6429,8350,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.2571734,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium soppii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.5286935567855835 6430,8349,214,Terpenoids,Diterpenoids,Cassane diterpenoids,0.4219246,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.1876983642578125 6431,8349,214,Terpenoids,Diterpenoids,Cassane diterpenoids,0.4219246,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.1876983642578125 6432,8348,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6089845,ISDB,RBIJNXWWDBHDQS-HXUWFJFHSA-N,"InChI=1S/C20H26O4/c1-18(2)7-6-8-20(5)12-10-14(21)13(19(3,4)24)9-11(12)15(22)16(23)17(18)20/h9-10,21,23-24H,6-8H2,1-5H3/t20-/m1/s1",CC1(C)CCC[C@@]2(C)C1=C(O)C(=O)c1cc(C(C)(C)O)c(O)cc12,C20H26O4,,330.18310931199994,RBIJNXWWDBHDQS,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.935937881469727 6433,8346,-1,,,,0.7323756,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],4,0,6.929502487182617 6434,8346,-1,,,,0.7323756,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,0,6.929502487182617 6435,8346,-1,,,,0.7323756,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus reticulata,37136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus reticulata'],4,0,6.929502487182617 6436,8346,-1,,,,0.7323756,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus deliciosa,83847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus deliciosa'],4,0,6.929502487182617 6437,8346,-1,,,,0.7323756,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Citrus unshiu,1011450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus unshiu'],4,0,6.929502487182617 6438,8346,-1,,,,0.7323756,ISDB,CHBNMKPHUSAEJE-KQLJZIGXSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1",CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],4,0,6.929502487182617 6439,8346,-1,,,,0.7323756,ISDB,CHBNMKPHUSAEJE-UHFFFAOYSA-N,"InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3",CC1=C2CC(CC1C1(C3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44,,404.344301408,CHBNMKPHUSAEJE,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,0,6.929502487182617 6440,8345,2978,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33798957,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.851958274841309 6441,8345,2978,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33798957,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.851958274841309 6442,8343,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.49592096,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,6.483683824539185 6443,8343,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.49592096,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,6.483683824539185 6444,8343,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.49592096,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,6.483683824539185 6445,8343,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.49592096,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,6.483683824539185 6446,8343,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.49592096,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,6.483683824539185 6447,8342,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5195081,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.578032493591309 6448,8342,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5195081,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.578032493591309 6449,8342,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5195081,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.578032493591309 6450,8342,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5195081,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.578032493591309 6451,8342,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5195081,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.578032493591309 6452,8338,879,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.39849842,ISDB,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,9.093993663787842 6453,8337,-1,,,,0.52141064,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,9.085642576217651 6454,8337,-1,,,,0.52141064,ISDB,SEBLWBUGZCPRKV-QRAGQXKESA-N,"InChI=1S/C30H48O4/c1-18(2)19-9-15-29(7)25-22(33-24(31)12-13-27(19,25)5)17-21-20(10-14-28(21,29)6)30(8)16-11-23(34-30)26(3,4)32/h19-23,25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,25-,27+,28-,29-,30+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C,C30H48O4,,472.355260016,SEBLWBUGZCPRKV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,9.085642576217651 6455,8336,2307,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 6456,8335,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6087228,ISDB,NKKMPIXWEPUSCG-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h7H,2-6H2,1H3",CCCC(=O)CCCC=O,C8H14O2,,142.099379688,NKKMPIXWEPUSCG,Fatty acids,Fatty acyls,Fatty aldehydes,Sarracenia flava,639946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sarraceniaceae'],['Unknown'],['Sarracenia'],['Sarracenia flava'],4,0,6.434891223907471 6457,8334,1053,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 6458,8334,1053,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,IVWHYNKOPOPMJS-NIWGLMRLSA-N,"InChI=1S/C30H50O5/c1-19(2)20-10-16-28(6)23(27(20,5)15-12-24(32)33)18-22(31)25-21(11-17-29(25,28)7)30(8,35)14-9-13-26(3,4)34/h9,13,20-23,25,31,34-35H,1,10-12,14-18H2,2-8H3,(H,32,33)/b13-9+/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,IVWHYNKOPOPMJS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 6459,8333,-1,,,,0.4516722,ISDB,QDMMUVWIKPTNHN-GRDCQMQTSA-N,"InChI=1S/C30H44O5/c1-18(2)24-9-8-22-16-30(17-25(22)28(24,6)12-11-26(32)33)20(4)10-13-29(30,7)21(5)15-23(31)14-19(3)27(34)35/h8,19,21,24-25H,1,4,9-17H2,2-3,5-7H3,(H,32,33)(H,34,35)/t19-,21-,24+,25-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2C[C@]3(C[C@H]2[C@@]1(C)CCC(=O)O)C(=C)CC[C@@]3(C)[C@H](C)CC(=O)C[C@@H](C)C(=O)O,C30H44O5,,484.318874508,QDMMUVWIKPTNHN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,8.806688785552979 6460,8332,2197,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6446588,ISDB,IMLYZVRFONVJHK-ZKQVNDDQSA-N,"InChI=1S/C27H40O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-19,21H,6-15H2,1-5H3/t16-,17+,18+,19-,21+,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H]6CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)C(=O)O6,C27H40O3,,412.29774514,IMLYZVRFONVJHK,Terpenoids,Triterpenoids,Lupane triterpenoids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,3,8.078635215759277 6461,8331,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.7570758,ISDB,INUWBHWKAMVTNU-UHFFFAOYSA-N,"InChI=1S/C13H14/c1-3-12-10(2)8-9-11-6-4-5-7-13(11)12/h4-9H,3H2,1-2H3",CCc1c(C)ccc2ccccc12,C13H14,,170.109550448,INUWBHWKAMVTNU,Shikimates and Phenylpropanoids,,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,1,6.528303146362305 6462,8329,-1,,,,0.7011673,ISDB,,,,,,,CQFNYKWQFDDXJA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.804669141769409 6463,8328,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7144179,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8576714992523193 6464,8327,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50748724,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.529948949813843 6465,8327,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50748724,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.529948949813843 6466,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.546371221542358 6467,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.546371221542358 6468,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.546371221542358 6469,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.546371221542358 6470,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.546371221542358 6471,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.546371221542358 6472,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.546371221542358 6473,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.546371221542358 6474,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.546371221542358 6475,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.546371221542358 6476,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.546371221542358 6477,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.546371221542358 6478,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.546371221542358 6479,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.546371221542358 6480,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.546371221542358 6481,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.546371221542358 6482,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.546371221542358 6483,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.546371221542358 6484,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.546371221542358 6485,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.546371221542358 6486,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.546371221542358 6487,8326,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5115928,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.546371221542358 6488,8325,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6404909,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5619635581970215 6489,8322,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,MKEYDVIGPFSUDP-HPICJHQDSA-N,"InChI=1S/C34H54O7/c1-18-7-8-20(29(38)39)19-11-15-33(5)21(26(18)19)9-10-24-32(4)14-13-25(31(2,3)23(32)12-16-34(24,33)6)41-30-28(37)27(36)22(35)17-40-30/h9,18-20,22-28,30,35-37H,7-8,10-17H2,1-6H3,(H,38,39)/t18-,19+,20+,22-,23+,24+,25-,26-,27-,28+,30+,32-,33+,34+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21,C34H54O7,pos_1_minus1proton1iron,574.386954068,MKEYDVIGPFSUDP,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 6490,8320,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6037004,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.914801597595215 6491,8320,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6037004,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.914801597595215 6492,8320,859,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6037004,ISDB,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.914801597595215 6493,8319,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.73210526,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],3,3,7.4284210205078125 6494,8318,-1,,,,0.43921548,ISDB,NOTQCQMXZCILJE-WYGBHMDXSA-N,"InChI=1S/C39H52O5/c1-34(2)29-14-13-28-27(37(29,5)18-17-31(34)44-32(41)15-10-25-8-11-26(40)12-9-25)16-19-39(7)30-24-36(4,33(42)43)21-20-35(30,3)22-23-38(28,39)6/h8-13,15-16,29-31,40H,14,17-24H2,1-7H3,(H,42,43)/b15-10+/t29-,30+,31-,35+,36+,37+,38+,39-/m0/s1",CC1(C)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12,C39H52O5,,600.3814747639999,NOTQCQMXZCILJE,Terpenoids,Triterpenoids,Multiflorane triterpenoids,Lagenaria siceraria,379288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Lagenaria'],['Lagenaria siceraria'],4,0,5.756861925125122 6495,8316,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4148375,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],4,3,7.159350037574768 6496,8316,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4148375,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],4,3,7.159350037574768 6497,8316,304,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4148375,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Dysoxylum lenticellatum,5747796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum lenticellatum'],4,3,7.159350037574768 6498,8313,-1,,,,0.578539,ISDB,IGGWKHQYMAJOHK-HHUCQEJWSA-N,"InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1,C20H34O,,290.260965708,IGGWKHQYMAJOHK,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,8.31415605545044 6499,8313,-1,,,,0.578539,ISDB,IGGWKHQYMAJOHK-HHUCQEJWSA-N,"InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1,C20H34O,,290.260965708,IGGWKHQYMAJOHK,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,8.31415605545044 6500,8312,957,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4215938,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],3,3,6.186375141143799 6501,8309,1033,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56896144,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.775845766067505 6502,8308,-1,,,,0.27181813,ISDB,,,,,,,CAHAQCHLZKGNOA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0872725248336792 6503,8307,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6350111,ISDB,XRHPKGGPYDCYHK-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-13-6-8-16-15(12-14(13)2)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12,14,16-17H,5,7-11H2,1-4H3,(H,21,22)",CC1=CCC2C(=CC1C)CCC1C(C)(C(=O)O)CCCC21C,C20H30O2,,302.2245802,XRHPKGGPYDCYHK,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,10.04004430770874 6504,8306,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5273819,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.609527587890625 6505,8306,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5273819,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.609527587890625 6506,8305,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.45580506,ISDB,YOLUHJBWUANMDW-XRMRDTNMSA-N,"InChI=1S/C16H22O2/c1-9-14-12-7-6-10-4-3-5-11(16(10,12)2)8-13(14)18-15(9)17/h10-13H,3-8H2,1-2H3/t10-,11-,12+,13+,16-/m1/s1",CC1=C2[C@H](C[C@H]3CCC[C@@H]4CC[C@@H]2[C@]43C)OC1=O,C16H22O2,,246.161979944,YOLUHJBWUANMDW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Goniophlebium niponicum,436745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Polypodiaceae'],['Unknown'],['Goniophlebium'],['Goniophlebium niponicum'],3,2,5.823220252990723 6507,8304,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49222076,ISDB,KJSAXQYTHNRIBJ-YRGRVCCFSA-N,"InChI=1S/C14H20O2/c1-10(13(15)16)11-6-8-14(2)7-4-3-5-12(14)9-11/h3,5,11-12H,1,4,6-9H2,2H3,(H,15,16)/t11-,12-,14-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC=C[C@@H]2C1,C14H20O2,,220.14632988,KJSAXQYTHNRIBJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dittrichia graveolens,3899100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Dittrichia'],['Dittrichia graveolens'],3,2,5.968883037567139 6508,8303,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.46962574,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.37850296497345 6509,8302,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.2248373,ISDB,YHSGXZITHLPVHN-CPCISQLKSA-N,"InChI=1S/C12H16O2/c1-7-5-9(13)3-4-10-8(2)12(14)6-11(7)10/h7,11H,3-6H2,1-2H3/t7-,11-/m0/s1",CC1=C2CCC(=O)C[C@H](C)[C@@H]2CC1=O,C12H16O2,,192.115029752,YHSGXZITHLPVHN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pechuel-loeschea leubnitziae,182170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pechuel-loeschea'],['Pechuel-loeschea leubnitziae'],3,3,5.399349212646484 6510,8300,-1,,,,0.6202182,ISDB,KQNYBDACXLEBLR-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)",CCCCC=Cc1cccc(C(=O)O)c1,C13H16O2,,204.115029752,KQNYBDACXLEBLR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nepeta cataria,830200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta cataria'],3,0,5.480872869491577 6511,8300,-1,,,,0.6202182,ISDB,KQNYBDACXLEBLR-ALCCZGGFSA-N,"InChI=1S/C13H16O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)/b7-5-",CCCC/C=C\c1cccc(C(=O)O)c1,C13H16O2,,204.115029752,KQNYBDACXLEBLR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],3,0,5.480872869491577 6512,8298,-1,,,,0.38608488,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.544339537620544 6513,8297,1206,Fatty acids,Fatty amides,N-acyl amines,0.5509659,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,7.703863620758057 6514,8297,1206,Fatty acids,Fatty amides,N-acyl amines,0.5509659,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,3,7.703863620758057 6515,8297,1206,Fatty acids,Fatty amides,N-acyl amines,0.5509659,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,3,7.703863620758057 6516,8296,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6438718,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5754871368408203 6517,8295,1033,Terpenoids,Diterpenoids,Abietane diterpenoids,0.57309663,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.792386531829834 6518,8293,1206,Fatty acids,Fatty amides,N-acyl amines,0.5445446,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,7.678178310394287 6519,8293,1206,Fatty acids,Fatty amides,N-acyl amines,0.5445446,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,3,7.678178310394287 6520,8293,1206,Fatty acids,Fatty amides,N-acyl amines,0.5445446,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,3,7.678178310394287 6521,8291,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WHTAFFKLEKGYBI-OMUOAVPCSA-N,"InChI=1S/C35H54O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(36)18-42-28/h8,21-28,36-38,41H,1,9-18H2,2-7H3,(H,39,40)/t21-,22+,23+,24-,25-,26+,27+,28-,31-,32+,33+,34-,35-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O,C35H54O8,pos_1_minus1proton1iron,602.381868688,WHTAFFKLEKGYBI,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,2,7.0 6522,8290,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.29701185,ISDB,,,,,,,IMMFKHKTZMTRFR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1880474090576172 6523,8289,-1,,,,0.55562454,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,9.222498178482056 6524,8288,2426,Terpenoids,Triterpenoids,Spirostane steroids,0.5756959,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,3,7.802783489227295 6525,8286,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,BVHMKADTAPKRMH-GJZGRUSLSA-N,"InChI=1S/C15H26O2/c1-12(2)5-4-10-15(3,17)14-8-6-13(11-16)7-9-14/h5-6,14,16-17H,4,7-11H2,1-3H3/t14-,15-/m0/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC=C(CO)CC1,C15H26O2,pos_2MNa,238.193280072,BVHMKADTAPKRMH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rosa woodsii,156926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa woodsii'],6,1,6.5 6526,8285,735,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5217314,ISDB,FELCJAPFJOPHSD-ROUWMTJPSA-N,"InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O2,,440.365430776,FELCJAPFJOPHSD,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,12.586925506591797 6527,8284,-1,,,,0.59335476,ISDB,YFILOVOZDBXTAF-VSJIUSJESA-N,"InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,12,20,23-25,31H,1,10-11,13-18H2,2-8H3/t20-,23?,24-,25-,27-,28+,29-,30-/m1/s1",C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C,C30H46O,,422.354866092,YFILOVOZDBXTAF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calotropis procera,920658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Calotropis'],['Calotropis procera'],4,0,6.3734190464019775 6528,8283,1175,Terpenoids,Diterpenoids,Abietane diterpenoids,0.69952625,ISDB,AUXKKDYTUVEBCI-UQGZFLDPSA-N,"InChI=1S/C22H34O/c1-14-12-21(6)16(19(3,4)15(14)2)7-8-22-10-9-20(5,13-22)18(23)11-17(21)22/h9-10,14-17H,7-8,11-13H2,1-6H3/t14-,15+,16-,17+,20+,21-,22-/m0/s1",C[C@@H]1[C@@H](C)C[C@@]2(C)[C@@H](CC[C@]34C=C[C@](C)(C3)C(=O)C[C@@H]42)C1(C)C,C22H34O,,314.260965708,AUXKKDYTUVEBCI,Terpenoids,Diterpenoids,Beyerane diterpenoids,Elateriospermum tapos,370208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Elateriospermeae'],['Elateriospermum'],['Elateriospermum tapos'],4,2,7.798105001449585 6529,8282,1173,Fatty acids,Fatty acyls,Fatty alcohols,0.3439887,ISDB,YBFDEMZEWRINKR-FNORWQNLSA-N,"InChI=1S/C22H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5,7H,6,8-14,16,18-22H2/b7-5+",C#C/C=C/CCCC#CCCCCCCCCCCCC#C,C22H32,,296.250401024,YBFDEMZEWRINKR,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.875954747200012 6530,8281,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,GQRUHVMVWNKUFW-LWYYNNOASA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,pos_1_1proton1acetonitrile,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 6531,8281,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,MUBMRBNHMHINMF-LWYYNNOASA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,17-18,21H,5-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)=C1C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,pos_1_1proton1acetonitrile,288.245315644,MUBMRBNHMHINMF,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 6532,8281,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,DUEINKIQNGZKPL-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(CO)CCC[C@]23C)C1,C20H32O,pos_1_1proton1acetonitrile,288.245315644,DUEINKIQNGZKPL,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 6533,8281,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton1ethylamine,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 6534,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,2,8.709989070892334 6535,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,2,8.709989070892334 6536,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus echinata,212461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus echinata'],6,2,8.709989070892334 6537,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus monophylla,225275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monophylla'],6,2,8.709989070892334 6538,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,2,8.709989070892334 6539,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,2,8.709989070892334 6540,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus montezumae,837875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus montezumae'],6,2,8.709989070892334 6541,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,2,8.709989070892334 6542,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus arizonica,111011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus arizonica'],6,2,8.709989070892334 6543,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,2,8.709989070892334 6544,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],6,2,8.709989070892334 6545,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,2,8.709989070892334 6546,8280,1027,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42749727,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,2,8.709989070892334 6547,8279,-1,,,,0.22414409,ISDB,FITFAFMCWGCVDQ-LJQANCHMSA-N,"InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m1/s1",O[C@H](CCCCc1ccccc1)CCc1ccccc1,C19H24O,,268.182715388,FITFAFMCWGCVDQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,0,6.896576344966888 6548,8278,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5248752,ISDB,SOJWLJKPIIODOH-QRVBRYPASA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,2,8.099500894546509 6549,8277,-1,,,,0.57700837,ISDB,GQRUHVMVWNKUFW-LWYYNNOASA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,9.308033466339111 6550,8276,-1,,,,0.22922847,ISDB,MRTXWRPVFGYIEY-DEPWHIHDSA-N,"InChI=1S/C21H30O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,16-17,22,24H,6,9-10,12H2,1-5H3/t16-,17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3[C@H](O)C[C@@H]12,C21H30O4,,346.21440944,MRTXWRPVFGYIEY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.916913866996765 6551,8274,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JDTFCGGOAXAFRS-TZVGKFEXSA-N,"InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3/t12-,13+,15-,16+,17-,18-,19+,20-,21-,22-,23+,25-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O12,pos_1_1proton1ethylamine,534.267626784,JDTFCGGOAXAFRS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,1,6.5 6552,8274,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,JDTFCGGOAXAFRS-TZVGKFEXSA-N,"InChI=1S/C25H42O12/c1-11-8-14(26)9-24(4,5)25(11,33)7-6-12(2)35-23-21(32)19(30)17(28)15(37-23)10-34-22-20(31)18(29)16(27)13(3)36-22/h8,12-13,15-23,27-33H,6-7,9-10H2,1-5H3/t12-,13+,15-,16+,17-,18-,19+,20-,21-,22-,23+,25-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C25H42O12,pos_1_1proton1ethylamine,534.267626784,JDTFCGGOAXAFRS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 6553,8272,-1,,,,0.4397691,ISDB,PCGZGBNALYRSST-UHFFFAOYSA-N,"InChI=1S/C27H36O6/c1-4-6-8-10-12-14-18-16-20-25(33-26(18)29)23-19(15-13-11-9-7-5-2)24(28)22(31-3)17-21(23)32-27(20)30/h16-17,28H,4-15H2,1-3H3",CCCCCCCc1cc2c(=O)oc3cc(OC)c(O)c(CCCCCCC)c3c2oc1=O,C27H36O6,,456.251188872,PCGZGBNALYRSST,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lysimachia fordiana,785061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Lysimachia'],['Lysimachia fordiana'],3,0,4.759076356887817 6554,8270,-1,,,,0.81743455,ISDB,YHGXYYIGHBPDMX-BUTFDPNWSA-N,"InChI=1S/C28H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h12-13,15-16,18-19,27,30H,5-11,14,17,20-26H2,1-4H3/b13-12-,16-15-,19-18-/t27-/m1/s1",CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H52NO7P,,545.348139634,YHGXYYIGHBPDMX,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,4.26973819732666 6555,8269,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49509302,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.480372071266174 6556,8269,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49509302,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.480372071266174 6557,8269,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49509302,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.480372071266174 6558,8269,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49509302,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.480372071266174 6559,8269,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49509302,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.480372071266174 6560,8268,2582,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5444337,ISDB,YSNDSABGXVFRFW-IRCUZVAFSA-N,"InChI=1S/C23H32O4/c1-14(2)16-13-15-9-10-17-22(3,4)11-8-12-23(17,21(24)27-7)18(15)20(26-6)19(16)25-5/h9-10,13-14,17H,8,11-12H2,1-7H3/t17?,23-/m1/s1",COC(=O)[C@]12CCCC(C)(C)C1C=Cc1cc(C(C)C)c(OC)c(OC)c12,C23H32O4,,372.230059504,YSNDSABGXVFRFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],3,3,6.677734851837158 6561,8268,2582,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5444337,ISDB,YSNDSABGXVFRFW-GAJHUEQPSA-N,"InChI=1S/C23H32O4/c1-14(2)16-13-15-9-10-17-22(3,4)11-8-12-23(17,21(24)27-7)18(15)20(26-6)19(16)25-5/h9-10,13-14,17H,8,11-12H2,1-7H3/t17-,23+/m0/s1",COC(=O)[C@]12CCCC(C)(C)[C@@H]1C=Cc1cc(C(C)C)c(OC)c(OC)c12,C23H32O4,,372.230059504,YSNDSABGXVFRFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia canariensis,1025163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia canariensis'],3,3,6.677734851837158 6562,8268,2582,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5444337,ISDB,YSNDSABGXVFRFW-GAJHUEQPSA-N,"InChI=1S/C23H32O4/c1-14(2)16-13-15-9-10-17-22(3,4)11-8-12-23(17,21(24)27-7)18(15)20(26-6)19(16)25-5/h9-10,13-14,17H,8,11-12H2,1-7H3/t17-,23+/m0/s1",COC(=O)[C@]12CCCC(C)(C)[C@@H]1C=Cc1cc(C(C)C)c(OC)c(OC)c12,C23H32O4,,372.230059504,YSNDSABGXVFRFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia cana,6083063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia lanata'],3,3,6.677734851837158 6563,8265,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6620454,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.148181676864624 6564,8265,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6620454,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.148181676864624 6565,8264,-1,,,,0.26258686,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,4.050347447395325 6566,8263,943,Terpenoids,Diterpenoids,Labdane diterpenoids,0.37447938,ISDB,FKABAWURBLBFLT-DZHOZBSLSA-N,"InChI=1S/C27H34O5/c1-17-13-20-14-21(32-23(29)18-7-4-3-5-8-18)22-25(2,27(20)12-9-19(17)15-27)10-6-11-26(22,16-28)24(30)31/h3-5,7-8,19-22,28H,1,6,9-16H2,2H3,(H,30,31)/t19?,20?,21-,22-,25+,26-,27?/m1/s1",C=C1CC2C[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)C23CCC1C3,C27H34O5,,438.240624188,FKABAWURBLBFLT,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],3,2,5.497917532920837 6567,8262,916,Terpenoids,Sesquiterpenoids,Cardenolides,0.40512133,ISDB,MJYKKLXXDFOCHW-UYQLHEEMSA-N,"InChI=1S/C24H34O5/c1-15(2)18-11-13-23(3)19(26)12-14-24(4,28)22(23)21(18)29-20(27)10-7-16-5-8-17(25)9-6-16/h5-10,15,18-19,21-22,25-26,28H,11-14H2,1-4H3/b10-7+/t18-,19-,21+,22-,23+,24-/m1/s1",CC(C)[C@H]1CC[C@@]2(C)[C@H](O)CC[C@@](C)(O)[C@@H]2[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C24H34O5,,402.240624188,MJYKKLXXDFOCHW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Verbesina virginica,3899858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina virginica'],3,2,5.620485305786133 6568,8261,-1,,,,0.0,MS1_match,MOVXCFOJIQLFPC-BWFKXQRPSA-N,"InChI=1S/C30H50O5/c1-20(2)21-11-18-29(6)24(27(21,4)16-13-25(32)33)10-9-22-23(12-17-28(22,29)5)30(7,35)15-8-14-26(3,34)19-31/h8,14,21-24,31,34-35H,1,9-13,15-19H2,2-7H3,(H,32,33)/b14-8+/t21-,22+,23-,24-,26+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,MOVXCFOJIQLFPC,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 6569,8261,-1,,,,0.0,MS1_match,IVWHYNKOPOPMJS-NIWGLMRLSA-N,"InChI=1S/C30H50O5/c1-19(2)20-10-16-28(6)23(27(20,5)15-12-24(32)33)18-22(31)25-21(11-17-29(25,28)7)30(8,35)14-9-13-26(3,4)34/h9,13,20-23,25,31,34-35H,1,10-12,14-18H2,2-8H3,(H,32,33)/b13-9+/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O,C30H50O5,pos_1_1sodium,490.3658247,IVWHYNKOPOPMJS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 6570,8260,785,Terpenoids,Steroids,Androstane steroids,0.6593067,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.137226819992065 6571,8259,-1,,,,0.48310196,ISDB,CRJGESKKUOMBCT-VQTJNVASSA-N,"InChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h19-20,22,24H,3-17H2,1-2H3,(H,21,23)/t19-,20+/m0/s1",CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O,C20H41NO3,,343.308644172,CRJGESKKUOMBCT,Fatty acids,Sphingolipids,Ceramides,Sarcophyton ehrenbergi,606345.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sarcophyton'],['Sarcophyton ehrenbergi'],1,0,2.932407855987549 6572,8258,-1,,,,0.64061975,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],3,0,5.562479019165039 6573,8253,1614,Terpenoids,Steroids,Androstane steroids,0.3494615,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,1,8.897845983505249 6574,8252,-1,,,,0.5333772,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.133508682250977 6575,8252,-1,,,,0.5333772,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,0,8.133508682250977 6576,8251,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.54160327,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.666413068771362 6577,8250,-1,,,,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_2MNa,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,0,6.0 6578,8250,-1,,,,0.0,MS1_match,IQHBZJPFGJKKJI-DFQSSKMNSA-N,"InChI=1S/C20H28O2/c1-18(2,22)15-7-8-16-14(12-15)6-9-17-19(3,13-21)10-5-11-20(16,17)4/h6-9,12,17,21-22H,5,10-11,13H2,1-4H3/t17-,19+,20+/m0/s1",CC(C)(O)c1ccc2c(c1)C=C[C@H]1[C@@](C)(CO)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,IQHBZJPFGJKKJI,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 6579,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,0,6.0 6580,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 6581,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,0,6.0 6582,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,0,6.0 6583,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6584,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 6585,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,0,6.0 6586,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,0,6.0 6587,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,0,6.0 6588,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,0,6.0 6589,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,0,6.0 6590,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,0,6.0 6591,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 6592,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 6593,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 6594,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,0,6.0 6595,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 6596,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,0,6.0 6597,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 6598,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,0,6.0 6599,8250,-1,,,,0.0,MS1_match,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,pos_1_1sodium,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,0,6.0 6600,8250,-1,,,,0.0,MS1_match,ZANCPCGYQSRSLK-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-4-5-10(2,3)7-9(11)6-8/h4-6H,7H2,1-3H3",CC1=CC(=O)CC(C)(C)C=C1,C10H14O,pos_2MNa,150.104465068,ZANCPCGYQSRSLK,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 6601,8250,-1,,,,0.0,MS1_match,QNGQIURXCUHNAT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3",CC1=CC=CC(C)(C)CC1=O,C10H14O,pos_2MNa,150.104465068,QNGQIURXCUHNAT,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 6602,8250,-1,,,,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_2MNa,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],6,0,6.0 6603,8250,-1,,,,0.0,MS1_match,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6604,8250,-1,,,,0.0,MS1_match,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,pos_1_1sodium,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 6605,8249,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.6799155,ISDB,MBANDXQCQFFUAJ-DZGCQCFKSA-N,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11,13H,3,5-9H2,1-2,4H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)CC[C@H](C(C)C)C=C12,C15H24,,204.187800768,MBANDXQCQFFUAJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,2,10.719661951065063 6606,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],4,3,8.340149164199829 6607,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-ZYVCMOTQSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20-,22-,23+,24-,25+,28-,29+,30-,31-,32-/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Euclea natalensis,520661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Euclea'],['Euclea natalensis'],4,3,8.340149164199829 6608,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Bursera penicillata,841958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera penicillata'],4,3,8.340149164199829 6609,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Bursera linanoe,921722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Bursera'],['Bursera linanoe'],4,3,8.340149164199829 6610,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pieris japonica,238775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Lyonieae'],['Pieris'],['Pieris japonica'],4,3,8.340149164199829 6611,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus camaldulensis,505234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus camaldulensis'],4,3,8.340149164199829 6612,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-UHFFFAOYSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3",CC(=O)OC1CCC2(C)C(CCC3(C)C2C=CC24OC(=O)C5(CCC(C)C(C)C52)CCC34C)C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus pulverulenta,278179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus pulverulenta'],4,3,8.340149164199829 6613,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus urnigera,974881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus urnigera'],4,3,8.340149164199829 6614,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus cinerea,21904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus cinerea'],4,3,8.340149164199829 6615,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus globulus,847929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus globulus'],4,3,8.340149164199829 6616,8248,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.7100373,ISDB,NCXOPROPMCEOMN-NOAGMNDJSA-N,"InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O4,,496.355260016,NCXOPROPMCEOMN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eucalyptus risdoni,7640427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus risdoni'],4,3,8.340149164199829 6617,8247,-1,,,,0.5257604,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,9.103041648864746 6618,8247,-1,,,,0.5257604,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.103041648864746 6619,8247,-1,,,,0.5257604,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,9.103041648864746 6620,8247,-1,,,,0.5257604,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.103041648864746 6621,8247,-1,,,,0.5257604,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.103041648864746 6622,8246,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47811252,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.412450075149536 6623,8245,3171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.39888948,ISDB,DVYXBXNSRWHEAH-QDNFKKIJSA-N,"InChI=1S/C34H50O7/c1-18(16-35)19(2)29(39)30(41-23(6)37)21(4)28-26(40-22(5)36)15-32(8)27-10-9-24-20(3)25(38)11-12-33(24)17-34(27,33)14-13-31(28,32)7/h18,20-21,24,26-28,30,35H,2,9-17H2,1,3-8H3/t18-,20-,21-,24-,26-,27-,28-,30+,31+,32-,33+,34-/m0/s1",C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO,C34H50O7,,570.3556539399999,DVYXBXNSRWHEAH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],4,2,6.595557928085327 6624,8244,-1,,,,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 6625,8243,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1sodium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6626,8242,1583,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,0.23566307,ISDB,BNDPVNXDSQOTOY-OKCDOLPESA-N,"InChI=1S/C26H34O7/c1-13-22(4)12-15-23(5,26(13,20(31)33-8)19(30)25(7,32)18(22)29)10-9-14-21(2,3)16(27)11-17(28)24(14,15)6/h9,15,17,28,32H,1,10-12H2,2-8H3/t15-,17-,22-,23+,24-,25+,26+/m1/s1",C=C1[C@@]2(C)C[C@H]3[C@@]4(C)C(=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O)C(C)(C)C(=O)C[C@H]4O,C26H34O7,,458.230453428,BNDPVNXDSQOTOY,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,3,3.4426522850990295 6627,8240,1297,Terpenoids,Triterpenoids,Lupane triterpenoids,0.5446605,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.67864203453064 6628,8239,-1,,,,0.55133295,ISDB,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,9.205331802368164 6629,8238,57,Terpenoids,Steroids,Cardenolides,0.29485738,ISDB,URINUHVDRGPXSD-PXSWWWNHSA-N,"InChI=1S/C35H56O13/c1-17(37)48-31(2,3)10-9-26(47-30-29(43)28(42)27(41)24(16-36)46-30)34(6,44)25-8-12-35(45)19-13-21(38)20-14-22(39)23(40)15-32(20,4)18(19)7-11-33(25,35)5/h13,18,20,22-30,36,39-45H,7-12,14-16H2,1-6H3/t18-,20-,22-,23-,24+,25-,26+,27-,28-,29+,30+,32+,33+,34+,35+/m0/s1",CC(=O)OC(C)(C)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C35H56O13,,684.372091852,URINUHVDRGPXSD,Terpenoids,Steroids,Ecdysteroids,Silene turkestanica,494127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene turkestanica'],4,2,6.179429531097412 6630,8237,-1,,,,0.4418461,ISDB,HUKMOJLAHVSCJE-OASIGRBWSA-N,"InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h8,11,13,15-16,19-20H,6-7,9-10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12,C26H32O6,,440.219888744,HUKMOJLAHVSCJE,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,0,4.76738440990448 6631,8237,-1,,,,0.4418461,ISDB,HUKMOJLAHVSCJE-UHFFFAOYSA-N,"InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h8,11,13,15-16,19-20H,6-7,9-10,12H2,1-5H3",CC1(C)C(=O)CCC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,C26H32O6,,440.219888744,HUKMOJLAHVSCJE,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,0,4.76738440990448 6632,8236,1425,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,0.77098894,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.583955764770508 6633,8231,1591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49864796,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.49459183216095 6634,8230,57,Terpenoids,Steroids,Cardenolides,0.4142575,ISDB,LPMXVESGRSUGHW-YGMDXYNPSA-N,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13?,15?,16?,17?,18-,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?/m1/s1",CC1OC(OC2CC(O)C3(CO)C4C(CCC3(O)C2)C2(O)CCC(C3=CC(=O)OC3)C2(C)C[C@H]4O)C(O)C(O)C1O,C29H44O12,,584.283276848,LPMXVESGRSUGHW,Terpenoids,Steroids,Cardenolides,Strophanthus kombe,981080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Nerieae'],['Strophanthus'],['Strophanthus kombe'],4,3,7.157029986381531 6635,8230,57,Terpenoids,Steroids,Cardenolides,0.4142575,ISDB,LPMXVESGRSUGHW-HBYQJFLCSA-N,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,C29H44O12,,584.2832768479999,LPMXVESGRSUGHW,Terpenoids,Steroids,Cardenolides,Cunila,1097484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cunila'],['Unknown'],4,3,7.157029986381531 6636,8230,57,Terpenoids,Steroids,Cardenolides,0.4142575,ISDB,LPMXVESGRSUGHW-HBYQJFLCSA-N,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,C29H44O12,,584.2832768479999,LPMXVESGRSUGHW,Terpenoids,Steroids,Cardenolides,Acokanthera oppositifolia,46130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Carisseae'],['Acokanthera'],['Acokanthera oppositifolia'],4,3,7.157029986381531 6637,8230,57,Terpenoids,Steroids,Cardenolides,0.4142575,ISDB,LPMXVESGRSUGHW-XPXORLBYSA-N,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17?,18+,19+,21?,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4C(CC[C@]3(O)C2)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O,C29H44O12,,584.283276848,LPMXVESGRSUGHW,Terpenoids,Steroids,Cardenolides,Digitalis purpurea,75205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis purpurea'],4,3,7.157029986381531 6638,8230,57,Terpenoids,Steroids,Cardenolides,0.4142575,ISDB,LPMXVESGRSUGHW-HBYQJFLCSA-N,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,C29H44O12,,584.2832768479999,LPMXVESGRSUGHW,Terpenoids,Steroids,Cardenolides,Acokanthera schimperi,6067815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Carisseae'],['Acokanthera'],['Acokanthera schimperi'],4,3,7.157029986381531 6639,8230,57,Terpenoids,Steroids,Cardenolides,0.4142575,ISDB,LPMXVESGRSUGHW-HBYQJFLCSA-N,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,C29H44O12,,584.2832768479999,LPMXVESGRSUGHW,Terpenoids,Steroids,Cardenolides,Strophanthus gratus,536684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Nerieae'],['Strophanthus'],['Strophanthus gratus'],4,3,7.157029986381531 6640,8228,1450,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FLBNRACKRBUYNP-UHFFFAOYSA-N,"InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3",CC(=O)OCC1=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C,C41H50O14,pos_1_1proton1ethylamine,766.32005628,FLBNRACKRBUYNP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 6641,8228,1450,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FLBNRACKRBUYNP-AHLSXCLRSA-N,"InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3/b17-16+,31-18+,39-23-/t32-,33-,34-,35-,36-,40+/m0/s1",CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C41H50O14,pos_1_1proton1ethylamine,766.32005628,FLBNRACKRBUYNP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 6642,8227,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 6643,8227,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 6644,8227,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 6645,8227,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 6646,8227,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 6647,8224,-1,,,,0.6286836,ISDB,YVVPJOHKSHNHKP-CQRKACFZSA-N,"InChI=1S/C30H48O5/c1-17(2)24(33)21(31)14-18(3)19-8-10-27(6)20(19)15-22(32)25-28(27,7)11-9-23-26(4,5)30(34)13-12-29(23,25)16-35-30/h14,19-25,31-34H,1,8-13,15-16H2,2-7H3/b18-14+/t19-,20-,21+,22-,23+,24+,25+,27-,28-,29-,30+/m1/s1",C=C(C)[C@H](O)[C@@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C,C30H48O5,,488.350174636,YVVPJOHKSHNHKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Varronia multispicata,554378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Cordiaceae'],['Unknown'],['Varronia'],['Varronia multispicata'],4,0,6.514734506607056 6648,8223,-1,,,,0.6307639,ISDB,RWFVBIQKMCLKMM-CARKBDGISA-N,"InChI=1S/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,24+,26+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H46O4,,470.33960995199993,RWFVBIQKMCLKMM,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.523055553436279 6649,8222,-1,,,,0.0,MS1_match,XPRWWANUPMYKMF-HVEGQNEHSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25-,26+,27+,28+,29-/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H46O,pos_1_minus1proton1iron,410.354866092,XPRWWANUPMYKMF,Terpenoids,Steroids,Stigmastane steroids,Amelanchier canadensis,45831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier canadensis'],7,0,7.0 6650,8222,-1,,,,0.0,MS1_match,XPRWWANUPMYKMF-HVEGQNEHSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25-,26+,27+,28+,29-/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H46O,pos_1_minus1proton1iron,410.354866092,XPRWWANUPMYKMF,Terpenoids,Steroids,Stigmastane steroids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 6651,8222,-1,,,,0.0,MS1_match,XPRWWANUPMYKMF-HVEGQNEHSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25-,26+,27+,28+,29-/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H46O,pos_1_minus1proton1iron,410.354866092,XPRWWANUPMYKMF,Terpenoids,Steroids,Stigmastane steroids,Amelanchier canadensis,45831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Amelanchier'],['Amelanchier canadensis'],7,0,7.0 6652,8222,-1,,,,0.0,MS1_match,XPRWWANUPMYKMF-HVEGQNEHSA-N,"InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25-,26+,27+,28+,29-/m1/s1",C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H46O,pos_1_minus1proton1iron,410.354866092,XPRWWANUPMYKMF,Terpenoids,Steroids,Stigmastane steroids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 6653,8221,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.78667015,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix laricina,804263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix laricina'],5,2,9.1466805934906 6654,8221,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.78667015,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix occidentalis,994602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix occidentalis'],5,2,9.1466805934906 6655,8221,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.78667015,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix lyallii,693237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix lyallii'],5,2,9.1466805934906 6656,8215,975,Terpenoids,Triterpenoids,Glutinane triterpenoids,0.5726384,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,3,9.790553569793701 6657,8214,2921,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.3595829,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Enterococcus faecium,594429.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Enterococcaceae'],['Unknown'],['Enterococcus'],['Enterococcus faecium'],0,3,2.9383316040039062 6658,8214,2921,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",0.3595829,ISDB,XJMTWNXFNQAKGS-UHFFFAOYSA-N,"InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C,C30H46,,406.359951472,XJMTWNXFNQAKGS,Terpenoids,Apocarotenoids,"Apocarotenoids (C30, Ψ-Ψ)",Staphylococcus aureus,1090496.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Staphylococcaceae'],['Unknown'],['Staphylococcus'],['Staphylococcus aureus'],0,3,2.9383316040039062 6659,8212,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.50340563,ISDB,SGSLKSWEAHEFTA-PKWIELLASA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)/t16-,17-,18+,21-,22-,23+,24-/m1/s1",C[C@@]12C=C[C@@]3(C1)[C@H](CC2)[C@]1(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@@H]3O,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Rhodanthe floribunda,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.513622522354126 6660,8212,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.50340563,ISDB,SGSLKSWEAHEFTA-UHFFFAOYSA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)",CC12C=CC3(C1)C(O)CC1C(C)(COC(=O)CCC(=O)O)CCCC1(C)C3CC2,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helipterum floribundum,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.513622522354126 6661,8211,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.4784788,ISDB,SOJWLJKPIIODOH-QRVBRYPASA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,2,7.913915157318115 6662,8210,-1,,,,0.6666405,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.666562080383301 6663,8208,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7372562,ISDB,VLXDPFLIRFYIME-LUGNKYPNSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1",CC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,11.44902491569519 6664,8206,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7400126,ISDB,UPVZPMJSRSWJHQ-XIQJJJERSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1",C=C1CC[C@H]2[C@H]3C1[C@@]2(C)CC[C@H]3C(C)C,C15H24,,204.187800768,UPVZPMJSRSWJHQ,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.460050344467163 6665,8205,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1sodium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6666,8204,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4934908,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,2,9.973963141441345 6667,8204,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4934908,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,2,9.973963141441345 6668,8202,1450,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FLBNRACKRBUYNP-UHFFFAOYSA-N,"InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3",CC(=O)OCC1=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C,C41H50O14,pos_1_1proton1ammonium,766.32005628,FLBNRACKRBUYNP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 6669,8202,1450,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FLBNRACKRBUYNP-AHLSXCLRSA-N,"InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3/b17-16+,31-18+,39-23-/t32-,33-,34-,35-,36-,40+/m0/s1",CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C41H50O14,pos_1_1proton1ammonium,766.32005628,FLBNRACKRBUYNP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 6670,8201,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.42212608,ISDB,UXIVDLDIDDQRTQ-URJBFMKKSA-N,"InChI=1S/C24H34O5/c1-13-22(5)12-15-21(4)10-9-16(25)20(2,3)14(21)8-11-23(15,6)24(13,19(28)29-7)18(27)17(22)26/h14-15,17,26H,1,8-12H2,2-7H3/t14-,15+,17+,21-,22-,23+,24+/m0/s1",C=C1[C@]2(C(=O)OC)C(=O)[C@@H](O)[C@@]1(C)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C24H34O5,,402.240624188,UXIVDLDIDDQRTQ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],3,3,6.188504338264465 6671,8200,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.44471878,ISDB,UXIVDLDIDDQRTQ-URJBFMKKSA-N,"InChI=1S/C24H34O5/c1-13-22(5)12-15-21(4)10-9-16(25)20(2,3)14(21)8-11-23(15,6)24(13,19(28)29-7)18(27)17(22)26/h14-15,17,26H,1,8-12H2,2-7H3/t14-,15+,17+,21-,22-,23+,24+/m0/s1",C=C1[C@]2(C(=O)OC)C(=O)[C@@H](O)[C@@]1(C)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C24H34O5,,402.240624188,UXIVDLDIDDQRTQ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],3,3,6.278875112533569 6672,8199,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,MKEYDVIGPFSUDP-HPICJHQDSA-N,"InChI=1S/C34H54O7/c1-18-7-8-20(29(38)39)19-11-15-33(5)21(26(18)19)9-10-24-32(4)14-13-25(31(2,3)23(32)12-16-34(24,33)6)41-30-28(37)27(36)22(35)17-40-30/h9,18-20,22-28,30,35-37H,7-8,10-17H2,1-6H3,(H,38,39)/t18-,19+,20+,22-,23+,24+,25-,26-,27-,28+,30+,32-,33+,34+/m0/s1",C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21,C34H54O7,pos_1_minus1proton1iron,574.386954068,MKEYDVIGPFSUDP,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,3,7.5 6673,8198,2829,Terpenoids,Steroids,Cardenolides,0.5975855,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.8903419971466064 6674,8197,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1potassium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6675,8196,2829,Terpenoids,Steroids,Cardenolides,0.59020615,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.8608245849609375 6676,8195,-1,,,,0.0,MS1_match,WPEUAPAFZISHMD-MRXNPFEDSA-N,"InChI=1S/C19H24O4/c20-16(9-5-14-6-10-17(21)11-7-14)4-2-1-3-15-8-12-18(22)19(23)13-15/h6-8,10-13,16,20-23H,1-5,9H2/t16-/m1/s1",Oc1ccc(CC[C@H](O)CCCCc2ccc(O)c(O)c2)cc1,C19H24O4,pos_1_1sodium,316.167459248,WPEUAPAFZISHMD,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],6,0,6.0 6677,8195,-1,,,,0.0,MS1_match,GZVIQGVWSNEONZ-RTBURBONSA-N,"InChI=1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2/t18-,19-/m1/s1",Oc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)cc2)cc1,C19H24O4,pos_1_1sodium,316.16745924799994,GZVIQGVWSNEONZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 6678,8194,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GZVIQGVWSNEONZ-RTBURBONSA-N,"InChI=1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2/t18-,19-/m1/s1",Oc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)cc2)cc1,C19H24O4,pos_1_1proton,316.16745924799994,GZVIQGVWSNEONZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 6679,8194,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,WPEUAPAFZISHMD-MRXNPFEDSA-N,"InChI=1S/C19H24O4/c20-16(9-5-14-6-10-17(21)11-7-14)4-2-1-3-15-8-12-18(22)19(23)13-15/h6-8,10-13,16,20-23H,1-5,9H2/t16-/m1/s1",Oc1ccc(CC[C@H](O)CCCCc2ccc(O)c(O)c2)cc1,C19H24O4,pos_1_1proton,316.167459248,WPEUAPAFZISHMD,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],6,3,7.5 6680,8193,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 6681,8189,-1,,,,0.0,MS1_match,QSCIDKJZGZYKSP-KCCIQLONSA-N,"InChI=1S/C44H48O15/c1-24-32(59-35(50)19-18-29-14-10-8-11-15-29)21-34(55-25(2)45)43(23-53-40(51)30-16-12-9-13-17-30)36(24)37(56-26(3)46)31-20-33(49)42(7)44(52,41(31,6)22-54-42)39(58-28(5)48)38(43)57-27(4)47/h8-19,31-32,34,36-39,52H,1,20-23H2,2-7H3/b19-18+/t31-,32-,34-,36-,37+,38-,39-,41-,42+,43+,44-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C44H48O15,pos_1_1proton1ethylamine,816.299320836,QSCIDKJZGZYKSP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 6682,8188,-1,,,,0.0,MS1_match,QSCIDKJZGZYKSP-KCCIQLONSA-N,"InChI=1S/C44H48O15/c1-24-32(59-35(50)19-18-29-14-10-8-11-15-29)21-34(55-25(2)45)43(23-53-40(51)30-16-12-9-13-17-30)36(24)37(56-26(3)46)31-20-33(49)42(7)44(52,41(31,6)22-54-42)39(58-28(5)48)38(43)57-27(4)47/h8-19,31-32,34,36-39,52H,1,20-23H2,2-7H3/b19-18+/t31-,32-,34-,36-,37+,38-,39-,41-,42+,43+,44-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C44H48O15,pos_1_1sodium,816.299320836,QSCIDKJZGZYKSP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 6683,8188,-1,,,,0.0,MS1_match,TYLVGQKNNUHXIP-MHHARFCSSA-N,"InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1",CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,C45H49NO13,pos_2MFe,811.320390628,TYLVGQKNNUHXIP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 6684,8187,2879,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QSCIDKJZGZYKSP-KCCIQLONSA-N,"InChI=1S/C44H48O15/c1-24-32(59-35(50)19-18-29-14-10-8-11-15-29)21-34(55-25(2)45)43(23-53-40(51)30-16-12-9-13-17-30)36(24)37(56-26(3)46)31-20-33(49)42(7)44(52,41(31,6)22-54-42)39(58-28(5)48)38(43)57-27(4)47/h8-19,31-32,34,36-39,52H,1,20-23H2,2-7H3/b19-18+/t31-,32-,34-,36-,37+,38-,39-,41-,42+,43+,44-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C44H48O15,pos_1_1proton1ammonium,816.299320836,QSCIDKJZGZYKSP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 6685,8186,-1,,,,0.6330729,ISDB,MGLLQZRFPMQJME-YTYFBAJQSA-N,"InChI=1S/C20H30O/c1-18(2)8-4-9-19(3)16(18)7-10-20-11-14(5-6-17(19)20)15(12-20)13-21/h12-14,16-17H,4-11H2,1-3H3/t14-,16-,17+,19-,20+/m1/s1",CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C=O)[C@H](CC[C@H]12)C3,C20H30O,,286.22966558,MGLLQZRFPMQJME,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.532291650772095 6686,8184,-1,,,,0.5829241,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.331696510314941 6687,8182,-1,,,,0.0,MS1_match,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,pos_1_1proton1isopropanol,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6688,8175,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3545864,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.91834557056427 6689,8175,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3545864,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.91834557056427 6690,8174,-1,,,,0.0,MS1_match,BYQLYGRDILHOFF-LNKGRISISA-N,"InChI=1S/C20H30O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h6,12,15-16,23H,5,7-11H2,1-4H3,(H,21,22)/t15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O3,pos_1_1sodium,318.21949482,BYQLYGRDILHOFF,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 6691,8174,-1,,,,0.0,MS1_match,KLAGFFXRUOBTMA-OBWPLOTHSA-N,"InChI=1S/C20H30O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,13,16-17H,2,5-9,11-12H2,1,3-4H3,(H,22,23)/b14-10-/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C\C=O,C20H30O3,pos_1_1sodium,318.21949482,KLAGFFXRUOBTMA,Terpenoids,Diterpenoids,Labdane diterpenoids,Thuja standishii,1047130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja standishii'],6,0,6.0 6692,8174,-1,,,,0.0,MS1_match,SNMGJTHIWYSOSX-YNLIENTKSA-N,"InChI=1S/C20H30O3/c1-14(12-18(22)23)6-8-16-15(2)7-9-17-19(3,13-21)10-5-11-20(16,17)4/h12-13,16-17H,2,5-11H2,1,3-4H3,(H,22,23)/b14-12+/t16-,17+,19-,20-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@@H]1CC/C(C)=C/C(=O)O,C20H30O3,pos_1_1sodium,318.21949482,SNMGJTHIWYSOSX,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 6693,8174,-1,,,,0.0,MS1_match,BJIYGXNZLPKDHO-OIGVQNGMSA-N,"InChI=1S/C20H30O3/c1-6-13(2)16(21)12-15-14(3)8-9-17-19(15,4)10-7-11-20(17,5)18(22)23/h6,15-17,21H,1-3,7-12H2,4-5H3,(H,22,23)/t15-,16-,17+,19+,20-/m0/s1",C=CC(=C)[C@@H](O)C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O,C20H30O3,pos_1_1sodium,318.21949482,BJIYGXNZLPKDHO,Terpenoids,Diterpenoids,Labdane diterpenoids,Thuja standishii,1047130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja standishii'],6,0,6.0 6694,8174,-1,,,,0.0,MS1_match,FTCCXIDYXDLLRK-LCLWPZTBSA-N,"InChI=1S/C20H30O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,16-17,21-23H,5,8-9,11-12H2,1-4H3/t16-,17+,19+,20-/m1/s1",CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O3,pos_1_1sodium,318.21949482,FTCCXIDYXDLLRK,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6695,8174,-1,,,,0.0,MS1_match,HZIPQMQRBXJVNO-KSVKHWKZSA-N,"InChI=1S/C20H30O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-16H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O3,pos_1_1sodium,318.21949482,HZIPQMQRBXJVNO,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 6696,8174,-1,,,,0.0,MS1_match,HZIPQMQRBXJVNO-KSVKHWKZSA-N,"InChI=1S/C20H30O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-16H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O3,pos_1_1sodium,318.21949482,HZIPQMQRBXJVNO,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 6697,8174,-1,,,,0.0,MS1_match,KLZNBERWPKTMAP-MYOQPVCSSA-N,"InChI=1S/C20H30O3/c1-5-18(2)9-8-15-13(10-18)6-7-16-19(15,3)11-14(21)12-20(16,4)17(22)23/h5,10,14-16,21H,1,6-9,11-12H2,2-4H3,(H,22,23)/t14-,15-,16+,18+,19+,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@@H]3[C@](C)(C[C@H](O)C[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O3,pos_1_1sodium,318.21949482,KLZNBERWPKTMAP,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 6698,8174,-1,,,,0.0,MS1_match,GDAJTKZIGQRGOD-HOJAQTOUSA-N,"InChI=1S/C20H30O3/c1-14(2)16-8-5-7-15(13-16)9-10-17-19(3,18(21)22)11-6-12-20(17,4)23/h5,7-8,13-14,17,23H,6,9-12H2,1-4H3,(H,21,22)/t17-,19+,20+/m1/s1",CC(C)c1cccc(CC[C@H]2[C@@](C)(O)CCC[C@]2(C)C(=O)O)c1,C20H30O3,pos_1_1sodium,318.21949482,GDAJTKZIGQRGOD,Terpenoids,,,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6699,8174,-1,,,,0.0,MS1_match,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,pos_1_1sodium,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 6700,8174,-1,,,,0.0,MS1_match,DYNISIGUMYFVJW-OCBLOMHFSA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O3,pos_1_1sodium,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6701,8174,-1,,,,0.0,MS1_match,GCUMPGCBTUSGIM-MRXNPFEDSA-N,"InChI=1S/C17H34O4/c18-15-11-7-3-5-9-13-16(19)12-8-4-1-2-6-10-14-17(20)21/h16,18-19H,1-15H2,(H,20,21)/t16-/m1/s1",O=C(O)CCCCCCCC[C@@H](O)CCCCCCCO,C17H34O4,pos_1_1potassium,302.245709568,GCUMPGCBTUSGIM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 6702,8171,-1,,,,0.58557427,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,0,7.342297077178955 6703,8171,-1,,,,0.58557427,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.342297077178955 6704,8170,943,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1proton1ammonium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 6705,8170,943,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1proton1ammonium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 6706,8168,1400,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 6707,8168,1400,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 6708,8167,3325,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.36575136,ISDB,OKFJXLLHWINJFT-UHFFFAOYSA-N,"InChI=1S/C37H54O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h8-9,18,20-30,39-41H,10-17H2,1-7H3",CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4C=CC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14,C37H54O10,,658.371697928,OKFJXLLHWINJFT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],4,3,6.963005423545837 6709,8166,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.22718345,ISDB,BXCDNFMSWNBZGR-PKIGEZQHSA-N,"InChI=1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22+,23-,24+,27+,30+,31-,32-,33+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C33H50O6,,542.36073932,BXCDNFMSWNBZGR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,2,5.908733785152435 6710,8165,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.27511206,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia celebica,729746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia celebica'],4,3,6.600448250770569 6711,8165,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.27511206,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia speciosa,885608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia speciosa'],4,3,6.600448250770569 6712,8164,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6384773,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,1,7.0539093017578125 6713,8164,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6384773,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,1,7.0539093017578125 6714,8164,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6384773,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,1,7.0539093017578125 6715,8164,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6384773,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,1,7.0539093017578125 6716,8164,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6384773,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,1,7.0539093017578125 6717,8164,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6384773,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,1,7.0539093017578125 6718,8164,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6384773,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,1,7.0539093017578125 6719,8161,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.24551219,ISDB,FOIYITYVDXXNQM-VXNXHJTFSA-N,"InChI=1S/C25H46O8/c1-4-5-6-7-8-9-10-11-12-13-14-22(29)15-16-23(32-21(3)28)17-25(30)33-24(18-26)19-31-20(2)27/h22-24,26,29H,4-19H2,1-3H3/t22-,23+,24-/m0/s1",CCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)O[C@@H](CO)COC(C)=O)OC(C)=O,C25H46O8,,474.319268432,FOIYITYVDXXNQM,,,,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],4,0,4.982048749923706 6720,8160,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.3167979,ISDB,ZJERGACWYNGXMG-VLHFAGCXSA-N,"InChI=1S/C25H44O7/c1-22(2)9-6-10-23(3)16(22)7-11-24(4)17(23)8-12-25(5,32-24)18(13-26)31-21-20(29)19(28)15(27)14-30-21/h15-21,26-29H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,20+,21-,23-,24+,25-/m0/s1",CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@](C)([C@H](CO)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@@H]21,C25H44O7,,456.308703748,ZJERGACWYNGXMG,Terpenoids,Diterpenoids,,Grindelia integrifolia,746729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia integrifolia'],4,2,6.267191648483276 6721,8159,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.21956196,ISDB,KVYUBFKSKZWZSV-GOSISDBHSA-N,"InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/t18-/m1/s1",CCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO,C19H36O4,,328.261359632,KVYUBFKSKZWZSV,Fatty acids,Glycerolipids,Monoacylglycerols,Ligularia nanchuanica,7051957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nanchuanica'],4,3,6.378247857093811 6722,8158,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54199344,ISDB,KBHLNNQHHPFDSG-DBTFZPMKSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15+/t16-,18+/m0/s1",CCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Aiouea trinervis,993906.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea trinervis'],4,3,7.667973756790161 6723,8158,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54199344,ISDB,KBHLNNQHHPFDSG-SODZWGKZSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15-/t16-,18-/m1/s1",CCCCCCCCCCCCC/C=C1\C(=O)O[C@H](C)[C@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Litsea akoensis,5699247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea akoensis'],4,3,7.667973756790161 6724,8158,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54199344,ISDB,KBHLNNQHHPFDSG-SODZWGKZSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15-/t16-,18-/m1/s1",CCCCCCCCCCCCC/C=C1\C(=O)O[C@H](C)[C@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Litsea coreana,366214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea coreana'],4,3,7.667973756790161 6725,8158,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54199344,ISDB,KBHLNNQHHPFDSG-FMDGVMLRSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15-/t16-,18+/m1/s1",CCCCCCCCCCCCC/C=C1\C(=O)O[C@H](C)[C@@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Mollinedia marliae,6027960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Monimiaceae'],['Unknown'],['Mollinedia'],['Mollinedia marliae'],4,3,7.667973756790161 6726,8158,44,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,0.54199344,ISDB,KBHLNNQHHPFDSG-YIBWVLRXSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15-16,18,20H,3-14H2,1-2H3/b17-15+/t16-,18-/m0/s1",CCCCCCCCCCCCC/C=C1/C(=O)O[C@@H](C)[C@@H]1O,C19H34O3,,310.250794948,KBHLNNQHHPFDSG,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Machilus wangchiana,587977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus wangchiana'],4,3,7.667973756790161 6727,8157,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.69250375,ISDB,WPYWXKMNACRLCE-FXUDXRNXSA-N,"InChI=1S/C16H28O/c1-11(2)14-7-6-13(4)16(17-5)9-8-12(3)10-15(14)16/h10-11,13-15H,6-9H2,1-5H3/t13-,14+,15+,16-/m1/s1",CO[C@@]12CCC(C)=C[C@H]1[C@H](C(C)C)CC[C@H]2C,C16H28O,,236.214015516,WPYWXKMNACRLCE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,6.770015001296997 6728,8157,217,Polyketides,Aromatic polyketides,Catechols with side chains,0.69250375,ISDB,WPYWXKMNACRLCE-FXUDXRNXSA-N,"InChI=1S/C16H28O/c1-11(2)14-7-6-13(4)16(17-5)9-8-12(3)10-15(14)16/h10-11,13-15H,6-9H2,1-5H3/t13-,14+,15+,16-/m1/s1",CO[C@@]12CCC(C)=C[C@H]1[C@H](C(C)C)CC[C@H]2C,C16H28O,,236.214015516,WPYWXKMNACRLCE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,0,6.770015001296997 6729,8156,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PHFUCJXOLZAQNH-OTMOLZNZSA-N,"InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O4,pos_2MMg,498.3709100799999,PHFUCJXOLZAQNH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6730,8156,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PHFUCJXOLZAQNH-OTMOLZNZSA-N,"InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O4,pos_2MMg,498.3709100799999,PHFUCJXOLZAQNH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 6731,8155,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.21654385,ISDB,KVYUBFKSKZWZSV-GOSISDBHSA-N,"InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/t18-/m1/s1",CCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO,C19H36O4,,328.261359632,KVYUBFKSKZWZSV,Fatty acids,Glycerolipids,Monoacylglycerols,Ligularia nanchuanica,7051957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nanchuanica'],4,3,6.366175413131714 6732,8154,-1,,,,0.0,MS1_match,KZBAXKKOXPLOBX-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3",COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1,C17H14O6,pos_1_1proton,314.07903816799995,KZBAXKKOXPLOBX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 6733,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,3,8.90239429473877 6734,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,3,8.90239429473877 6735,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,3,8.90239429473877 6736,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,3,8.90239429473877 6737,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,3,8.90239429473877 6738,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,3,8.90239429473877 6739,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,3,8.90239429473877 6740,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,3,8.90239429473877 6741,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,3,8.90239429473877 6742,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,3,8.90239429473877 6743,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,3,8.90239429473877 6744,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,3,8.90239429473877 6745,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,3,8.90239429473877 6746,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,3,8.90239429473877 6747,8152,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8505986,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,3,8.90239429473877 6748,8151,1044,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7746001,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.598400354385376 6749,8150,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.55455685,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.718227386474609 6750,8150,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.55455685,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.718227386474609 6751,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,3,8.868899822235107 6752,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,3,8.868899822235107 6753,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,3,8.868899822235107 6754,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,3,8.868899822235107 6755,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,3,8.868899822235107 6756,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,3,8.868899822235107 6757,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,3,8.868899822235107 6758,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,3,8.868899822235107 6759,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,3,8.868899822235107 6760,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,3,8.868899822235107 6761,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,3,8.868899822235107 6762,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,3,8.868899822235107 6763,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,3,8.868899822235107 6764,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,3,8.868899822235107 6765,8145,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.84222496,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,3,8.868899822235107 6766,8144,1044,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77324265,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],6,3,10.592970609664917 6767,8141,-1,,,,0.54893,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,10.195719957351685 6768,8140,-1,,,,0.47411224,ISDB,MLBYBBUZURKHAW-MISYRCLQSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H30O2,,302.2245802,MLBYBBUZURKHAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],7,0,8.896448969841003 6769,8136,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.42893705,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.715748190879822 6770,8136,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.42893705,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.715748190879822 6771,8135,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 6772,8133,2157,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,DTOSIQBPPRVQHS-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,7.5 6773,8133,2157,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,HXQHFNIKBKZGRP-JRVLCRGASA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9+,14-13+",CCCCC/C=C/C/C=C/CC/C=C/CCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,HXQHFNIKBKZGRP,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,7.5 6774,8133,2157,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,SECPZKHBENQXJG-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)",CCCCCCC=CCCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,7.5 6775,8132,2157,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.697957,ISDB,HXQHFNIKBKZGRP-JRVLCRGASA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9+,14-13+",CCCCC/C=C/C/C=C/CC/C=C/CCCC(=O)O,C18H30O2,,278.2245802,HXQHFNIKBKZGRP,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,10.291827917098999 6776,8128,1986,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,SECPZKHBENQXJG-UHFFFAOYSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)",CCCCCCC=CCCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 6777,8127,2157,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4949392,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,1,6.479756832122803 6778,8127,2157,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4949392,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,1,6.479756832122803 6779,8127,2157,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4949392,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,1,6.479756832122803 6780,8126,-1,,,,0.3051165,ISDB,XAGOABKVVNRUKC-SRDWAYAESA-N,"InChI=1S/C25H36O4/c1-6-16(2)19(26)29-20-22(3)12-8-18-23(4)10-7-11-24(5,21(27)28)17(23)9-13-25(18,20)15-14-22/h6,14-15,17-18,20H,7-13H2,1-5H3,(H,27,28)/b16-6+/t17-,18-,20-,22+,23+,24+,25+/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@]23C=C[C@@]1(C)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3,C25H36O4,,400.261359632,XAGOABKVVNRUKC,Terpenoids,Diterpenoids,Beyerane diterpenoids,Elaeoselinum asclepium,1047479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Thapsia'],['Thapsia asclepium'],3,0,4.2204660177230835 6781,8126,-1,,,,0.3051165,ISDB,XAGOABKVVNRUKC-VGMWDPCXSA-N,"InChI=1S/C25H36O4/c1-6-16(2)19(26)29-20-22(3)12-8-18-23(4)10-7-11-24(5,21(27)28)17(23)9-13-25(18,20)15-14-22/h6,14-15,17-18,20H,7-13H2,1-5H3,(H,27,28)/b16-6-/t17-,18+,20+,22-,23-,24-,25-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@]23C=C[C@@]1(C)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC3,C25H36O4,,400.261359632,XAGOABKVVNRUKC,Terpenoids,Diterpenoids,Beyerane diterpenoids,Thapsia asclepium,1047479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Thapsia'],['Thapsia asclepium'],3,0,4.2204660177230835 6782,8125,-1,,,,0.0,MS1_match,UGAGPNKCDRTDHP-UHFFFAOYSA-N,"InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)",O=C(O)CCCCCCCCCCCCCCCO,C16H32O3,pos_1_1sodium1acetonitrile,272.235144884,UGAGPNKCDRTDHP,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 6783,8122,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UFEHYRPBLFGEJW-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)",CC(C)C1(O)C=C2C(=O)CC3C(C)(C(=O)O)CCCC3(C)C2CC1,C20H30O4,pos_1_1proton1ethylamine,334.21440944,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,7.5 6784,8122,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UFEHYRPBLFGEJW-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)",CC(C)C1(O)C=C2C(=O)CC3C(C)(C(=O)O)CCCC3(C)C2CC1,C20H30O4,pos_1_1proton1ethylamine,334.21440944,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,7.5 6785,8122,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,OOHFJWCHEFCJDC-LFZDHENXSA-N,"InChI=1S/C20H30O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12-13,15H,5-11H2,1-4H3,(H,21,22)/t15-,17-,18+,19+,20-/m1/s1",CC(C)[C@@]12C=C3CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2,C20H30O4,pos_1_1proton1ethylamine,334.21440944,OOHFJWCHEFCJDC,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,7.5 6786,8122,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,IQKPNFFLSFPURG-XLQBFBSWSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15-,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_1_1proton1ethylamine,334.21440944,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,7.5 6787,8122,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,IQKPNFFLSFPURG-XLQBFBSWSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15-,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_1_1proton1ethylamine,334.21440944,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,3,7.5 6788,8121,-1,,,,0.42738417,ISDB,OFSZOCPGPLMCBG-MFYCUANCSA-N,"InChI=1S/C35H54O14/c1-16-30(49-32-28(42)26(40)25(39)23(13-36)48-32)27(41)29(43)31(46-16)47-19-5-9-34(15-37)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-24(38)45-14-17/h11,16,18-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t16-,18+,19+,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(CO)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H54O14,,698.351356408,OFSZOCPGPLMCBG,Terpenoids,Steroids,Cardenolides,Antiaris toxicaria,539291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Antiaris'],['Antiaris toxicaria'],5,0,6.709536671638489 6789,8120,-1,,,,0.0,MS1_match,TYHJMEIBGDDCPA-SECBINFHSA-N,"InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3/t9-/m1/s1",CC(=O)C[C@H]1CCCCN1C,C9H17NO,pos_2MCa,155.131014164,TYHJMEIBGDDCPA,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Picea breweriana,1000591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea breweriana'],6,0,6.0 6790,8120,-1,,,,0.0,MS1_match,BVHCJQPMRVMDBC-RKDXNWHRSA-N,"InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h8-9,11H,3-6H2,1-2H3/t8-,9-/m1/s1",CC1=N[C@@H](C[C@@H](C)O)CCC1,C9H17NO,pos_2MCa,155.131014164,BVHCJQPMRVMDBC,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 6791,8120,-1,,,,0.0,MS1_match,BVHCJQPMRVMDBC-RKDXNWHRSA-N,"InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h8-9,11H,3-6H2,1-2H3/t8-,9-/m1/s1",CC1=N[C@@H](C[C@@H](C)O)CCC1,C9H17NO,pos_2MCa,155.131014164,BVHCJQPMRVMDBC,,,,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 6792,8120,-1,,,,0.0,MS1_match,PLVQSRXCDPEDHN-VXNVDRBHSA-N,"InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9-/m1/s1",CC(=O)C[C@H]1CCC[C@@H](C)N1,C9H17NO,pos_2MCa,155.131014164,PLVQSRXCDPEDHN,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 6793,8120,-1,,,,0.0,MS1_match,PLVQSRXCDPEDHN-APPZFPTMSA-N,"InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9+/m1/s1",CC(=O)C[C@@H]1CCC[C@@H](C)N1,C9H17NO,pos_2MCa,155.131014164,PLVQSRXCDPEDHN,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 6794,8120,-1,,,,0.0,MS1_match,PLVQSRXCDPEDHN-VXNVDRBHSA-N,"InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9-/m1/s1",CC(=O)C[C@H]1CCC[C@@H](C)N1,C9H17NO,pos_2MCa,155.131014164,PLVQSRXCDPEDHN,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,0,6.0 6795,8119,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6796,8119,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6797,8119,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6798,8119,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6799,8119,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6800,8117,-1,,,,0.37718648,ISDB,PIJPSWNOKIPSCP-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,16-17,20-21H,5,8-9,11H2,1-4H3",CC(C)c1ccc2c(c1)C(O)CC1C(C)(O)CCCC21C,C19H28O2,,288.208930136,PIJPSWNOKIPSCP,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.508745908737183 6801,8116,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42030147,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.181205868721008 6802,8115,863,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.55370015,ISDB,YVFUWFRLVWFNLF-LAYMWGLGSA-N,"InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21?,22?,23?,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C12,C30H46O4,,470.339609952,YVFUWFRLVWFNLF,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,11.214800596237183 6803,8114,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69820935,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.292837381362915 6804,8113,-1,,,,0.42531723,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,0,8.701268911361694 6805,8113,-1,,,,0.42531723,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,8.701268911361694 6806,8112,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.56202996,ISDB,WYCSEWZLGFMMRF-VFVAKGGASA-N,"InChI=1S/C16H20O3/c1-10-5-7-15(3)11(2)12-6-8-19-13(12)9-16(10,15)14(17)18-4/h6,8,10H,2,5,7,9H2,1,3-4H3/t10-,15+,16+/m1/s1",C=C1c2ccoc2C[C@@]2(C(=O)OC)[C@H](C)CC[C@@]12C,C16H20O3,,260.1412445,WYCSEWZLGFMMRF,Terpenoids,Sesquiterpenoids,Pinguisane sesquiterpenoids,Bryopteris filicina,367054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Lejeuneaceae'],['Unknown'],['Bryopteris'],['Bryopteris filicina'],3,2,6.248119831085205 6807,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia japonica,483666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia japonica'],3,2,5.6339805126190186 6808,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia lamarum,288386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia lamarum'],3,2,5.6339805126190186 6809,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia subspicata,119662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia subspicata'],3,2,5.6339805126190186 6810,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia nanchuanica,7051957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nanchuanica'],3,2,5.6339805126190186 6811,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia fischeri,619951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia fischeri'],3,2,5.6339805126190186 6812,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia dentata,1010107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia dentata'],3,2,5.6339805126190186 6813,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,2,5.6339805126190186 6814,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,2,5.6339805126190186 6815,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-UHFFFAOYSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3",C=C(C)C1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia odontomanes,7610300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia odontomanes'],3,2,5.6339805126190186 6816,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia hodgsonii,619949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia hodgsonii'],3,2,5.6339805126190186 6817,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Camptacra gracilis,895482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Camptacra'],['Camptacra gracilis'],3,2,5.6339805126190186 6818,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-JTQLQIEISA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m0/s1",C=C(C)[C@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Fallopia multiflora var. ciliinervis,362471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Polygoneae'],['Fallopia'],['Fallopia multiflora'],3,2,5.6339805126190186 6819,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-JTQLQIEISA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m0/s1",C=C(C)[C@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia sagitta,1010113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia sagitta'],3,2,5.6339805126190186 6820,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia dolichobotrys,619961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia dolichobotrys'],3,2,5.6339805126190186 6821,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia,515694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Unknown'],3,2,5.6339805126190186 6822,8111,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.40849513,ISDB,DOXGAJNACWJRHA-SNVBAGLBSA-N,"InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1",C=C(C)[C@@H]1CCc2cc(O)cc(C=O)c2C1,C14H16O2,,216.115029752,DOXGAJNACWJRHA,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia veitchiana,240222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia veitchiana'],3,2,5.6339805126190186 6823,8110,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 6824,8110,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 6825,8110,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,QSFLWQIGANLWJS-JGKKSEDXSA-N,"InChI=1S/C20H30O4/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)7-4-8-20(17,11-21)18(23)24/h9,12,14-15,17,21H,4-8,10-11H2,1-3H3,(H,23,24)/t14-,15-,17+,19+,20+/m0/s1",CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1,C20H30O4,pos_1_1proton1ammonium,334.21440944,QSFLWQIGANLWJS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,7.5 6826,8110,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 6827,8110,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 6828,8108,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1potassium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6829,8108,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1potassium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6830,8108,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1potassium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6831,8108,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1potassium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6832,8108,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1potassium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6833,8107,2481,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4489452,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.295780777931213 6834,8106,-1,,,,0.7599879,ISDB,BZUSCMNYIZCYCE-QMMMGPOBSA-N,"InChI=1S/C15H18O/c1-8-5-6-12-9(2)7-13-15(14(8)12)10(3)11(4)16-13/h7-8H,5-6H2,1-4H3/t8-/m0/s1",Cc1cc2oc(C)c(C)c2c2c1CC[C@@H]2C,C15H18O,,214.135765196,BZUSCMNYIZCYCE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],3,0,6.03995156288147 6835,8106,-1,,,,0.7599879,ISDB,BZUSCMNYIZCYCE-UHFFFAOYSA-N,"InChI=1S/C15H18O/c1-8-5-6-12-9(2)7-13-15(14(8)12)10(3)11(4)16-13/h7-8H,5-6H2,1-4H3",Cc1cc2oc(C)c(C)c2c2c1CCC2C,C15H18O,,214.135765196,BZUSCMNYIZCYCE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Saposhnikovia divaricata,737496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Saposhnikovia'],['Saposhnikovia divaricata'],3,0,6.03995156288147 6836,8105,1614,Terpenoids,Steroids,Androstane steroids,0.29225674,ISDB,XHXAYNSCEANFHV-UHFFFAOYSA-N,"InChI=1S/C15H29NO3/c1-12-14(17)11-10-13(16-12)8-6-4-3-5-7-9-15(18)19-2/h12-14,16-17H,3-11H2,1-2H3",COC(=O)CCCCCCCC1CCC(O)C(C)N1,C15H29NO3,,271.214743788,XHXAYNSCEANFHV,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Carica papaya,429474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Caricaceae'],['Unknown'],['Carica'],['Carica papaya'],3,0,4.169026970863342 6837,8103,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6776026,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7104103565216064 6838,8102,215,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.58050185,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.822007417678833 6839,8100,1986,Alkaloids,Ornithine alkaloids,Polyamines,0.59440255,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,8.377610206604004 6840,8097,491,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.5405379,ISDB,SHZSFIUMTQEXDN-UHFFFAOYSA-N,"InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3",C=C(C)c1ccc(C)c(OC)c1,C11H14O,,162.104465068,SHZSFIUMTQEXDN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.662151575088501 6841,8096,-1,,,,0.54461384,ISDB,ZFMSMUAANRJZFM-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C=CCc1ccc(OC)cc1,C10H12O,,148.088815004,ZFMSMUAANRJZFM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea schrenkiana,463853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea schrenkiana'],6,0,8.178455352783203 6842,8094,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.23799558,ISDB,UFEHYRPBLFGEJW-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)",CC(C)C1(O)C=C2C(=O)CC3C(C)(C(=O)O)CCCC3(C)C2CC1,C20H30O4,,334.21440944,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.451982319355011 6843,8094,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.23799558,ISDB,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.451982319355011 6844,8094,29,Terpenoids,Diterpenoids,Abietane diterpenoids,0.23799558,ISDB,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,7.451982319355011 6845,8091,2481,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4609605,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.343842029571533 6846,8088,1614,Terpenoids,Steroids,Androstane steroids,0.72439057,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.397562265396118 6847,8087,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.67641836,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7056734561920166 6848,8086,2729,Alkaloids,Ornithine alkaloids,Polyamines,0.39148596,ISDB,OSKSPFIGMVUPGV-UHFFFAOYSA-N,"InChI=1S/C13H26N2O2/c1-3-4-6-9-13(17)15-11-8-5-7-10-14-12(2)16/h3-11H2,1-2H3,(H,14,16)(H,15,17)",CCCCCC(=O)NCCCCCNC(C)=O,C13H26N2O2,,242.199428072,OSKSPFIGMVUPGV,Alkaloids,Ornithine alkaloids,Polyamines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,3.0659438371658325 6849,8085,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.2094332,ISDB,YHSGXZITHLPVHN-CPCISQLKSA-N,"InChI=1S/C12H16O2/c1-7-5-9(13)3-4-10-8(2)12(14)6-11(7)10/h7,11H,3-6H2,1-2H3/t7-,11-/m0/s1",CC1=C2CCC(=O)C[C@H](C)[C@@H]2CC1=O,C12H16O2,,192.115029752,YHSGXZITHLPVHN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pechuel-loeschea leubnitziae,182170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pechuel-loeschea'],['Pechuel-loeschea leubnitziae'],3,3,5.337732791900635 6850,8084,2729,Alkaloids,Ornithine alkaloids,Polyamines,0.39143905,ISDB,OSKSPFIGMVUPGV-UHFFFAOYSA-N,"InChI=1S/C13H26N2O2/c1-3-4-6-9-13(17)15-11-8-5-7-10-14-12(2)16/h3-11H2,1-2H3,(H,14,16)(H,15,17)",CCCCCC(=O)NCCCCCNC(C)=O,C13H26N2O2,,242.199428072,OSKSPFIGMVUPGV,Alkaloids,Ornithine alkaloids,Polyamines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,3.0657562017440796 6851,8083,3407,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.35599515,ISDB,DWHTYLMRWXUGJL-DJIMGWMZSA-N,"InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)/t14-,16-,17-/m1/s1",C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H22O3,,274.156894564,DWHTYLMRWXUGJL,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.923980593681335 6852,8082,1614,Terpenoids,Steroids,Androstane steroids,0.7277244,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.410897493362427 6853,8081,3407,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.3569344,ISDB,DWHTYLMRWXUGJL-DJIMGWMZSA-N,"InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)/t14-,16-,17-/m1/s1",C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H22O3,,274.156894564,DWHTYLMRWXUGJL,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.927737593650818 6854,8080,-1,,,,0.5982769,ISDB,CTYYPXUXVBFGNI-UHFFFAOYSA-N,"InChI=1S/C16H20O/c1-10(2)13-7-6-11(3)14-9-16(17-5)12(4)8-15(13)14/h6-10H,1-5H3",COc1cc2c(C)ccc(C(C)C)c2cc1C,C16H20O,,228.15141526,CTYYPXUXVBFGNI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heteroscyphus planus,775458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Lophocoleaceae'],['Unknown'],['Heteroscyphus'],['Heteroscyphus planus'],3,0,5.393107652664185 6855,8078,215,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.58236116,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.829444646835327 6856,8077,-1,,,,0.82160467,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],3,0,6.286418676376343 6857,8076,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47800386,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.412015438079834 6858,8076,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47800386,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.412015438079834 6859,8075,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4033099,ISDB,VMYXUZSZMNBRCN-AWEZNQCLSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1",CC(C)=CCC[C@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Endiandra xanthocarpa,6026285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Endiandra'],['Endiandra xanthocarpa'],6,3,9.113239645957947 6860,8075,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4033099,ISDB,VMYXUZSZMNBRCN-CQSZACIVSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1",CC(C)=CCC[C@@H](C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,9.113239645957947 6861,8075,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4033099,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Aniba,297724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Unknown'],6,3,9.113239645957947 6862,8070,-1,,,,0.68100524,ISDB,BYWZDPHXZQSASO-DLRRJOOFSA-N,"InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-27(4)18(19(30)16-25)7-8-21-28(27,5)10-9-20-26(3,17-31)22(32)15-23(33)29(20,21)6/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21-,22-,26-,27+,28+,29-,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O5,,486.334524572,BYWZDPHXZQSASO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.724020957946777 6863,8069,-1,,,,0.62381464,ISDB,MRZDEOWEUAMNTO-ZKORMJMLSA-N,"InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8-9,20-22,31H,10-17H2,1-7H3,(H,33,34)/t20-,21-,22-,27+,28+,29-,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)C(=O)C[C@H](O)C(C)(C)[C@@H]2CC[C@]13C,C30H44O4,,468.323959888,MRZDEOWEUAMNTO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Myrica cerifera,791123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella cerifera'],5,0,7.495258569717407 6864,8063,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.28329226,ISDB,ZBJGGLXQNXXXRO-VCZRHBNQSA-N,"InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h7-12,15-17,19H,4-6,13-14H2,1-3H3/b8-7+,10-9+,12-11+/t15-,16+,17+/m0/s1",CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1C,C17H29NO,,263.224914548,ZBJGGLXQNXXXRO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],3,0,4.133169054985046 6865,8062,557,Amino acids and Peptides,Small peptides,Dipeptides,0.6098192,ISDB,DBJPZCJQDRPOME-BQBZGAKWSA-N,"InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O,C9H16N2O2,,184.121177752,DBJPZCJQDRPOME,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,3,6.939276695251465 6866,8058,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6994859,ISDB,,,,,,,CQFNYKWQFDDXJA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.797943592071533 6867,8056,1747,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SKJSIVQEPKBFTJ-HUWILPJBSA-N,"InChI=1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1",C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C28H40O8,pos_1_1proton1ammonium,504.27231823999983,SKJSIVQEPKBFTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 6868,8051,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],6,0,6.0 6869,8051,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 6870,8051,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 6871,8051,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus torreyana,635132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus torreyana'],6,0,6.0 6872,8051,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],6,0,6.0 6873,8050,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,pos_1_1proton1isopropanol,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,2,9.0 6874,8050,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,pos_1_1proton1isopropanol,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,2,9.0 6875,8050,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,pos_1_1proton1isopropanol,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,2,9.0 6876,8047,-1,,,,0.85995704,ISDB,UZJVPLXQVOYCBE-GSUMKISMSA-N,"InChI=1S/C30H46O6/c1-15-11-30(22-27(6,35-22)23(33)36-30)34-16-12-25(4)18-8-7-17-24(2,3)19(31)9-10-28(17)14-29(18,28)13-20(32)26(25,5)21(15)16/h15-23,31-33H,7-14H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22+,23+,25+,26-,27-,28-,29+,30-/m1/s1",C[C@@H]1C[C@@]2(O[C@H]3C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57C[C@@H](O)[C@]4(C)[C@@H]13)O[C@H](O)[C@]1(C)O[C@H]21,C30H46O6,,502.329439192,UZJVPLXQVOYCBE,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],4,0,7.439828157424927 6877,8046,-1,,,,0.60932493,ISDB,LWJLYRSDULCASM-TYPHKJRUSA-N,"InChI=1S/C21H30O3/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(3,19(22)23-5)11-6-12-21(18,4)24-17/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21-/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)Oc3ccc(C(C)C)cc3CC[C@@H]12,C21H30O3,,330.21949482,LWJLYRSDULCASM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,7.437299728393555 6878,8043,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.22861806,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium miczynskii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.414472222328186 6879,8043,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.22861806,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium soppii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.414472222328186 6880,8042,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6964328,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.785731315612793 6881,8034,63,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.789923,ISDB,IMBCDODBZZTARO-YFNDYSSZSA-N,"InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1",CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O,C30H38O4,,462.277009696,IMBCDODBZZTARO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],3,3,7.659692049026489 6882,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-RBBHKJGASA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4-,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C\C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bellidiastrum michelii,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.319857597351074 6883,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Aster bellidiastrum,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.319857597351074 6884,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Greenmaniella resinosa,400169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Greenmaniella'],['Greenmaniella resinosa'],3,3,6.319857597351074 6885,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia australis,673550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia australis'],3,3,6.319857597351074 6886,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],3,3,6.319857597351074 6887,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pleiotaxis rugosa,996682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Dicomeae'],['Pleiotaxis'],['Pleiotaxis rugosa'],3,3,6.319857597351074 6888,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-GZESPCIDSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4?,15-13+,17-16?",C=CCCCC/C=C/C=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],3,3,6.319857597351074 6889,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.319857597351074 6890,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.319857597351074 6891,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia merckii,404241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia merckii'],3,3,6.319857597351074 6892,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis longula,7602247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis longula'],3,3,6.319857597351074 6893,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis venusta,5794545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis venusta'],3,3,6.319857597351074 6894,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Calea ternifolia,5794515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea ternifolia'],3,3,6.319857597351074 6895,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-NLBXNPPRSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13-,17-16-",C=CCCCC/C=C\C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bidens campylotheca,711728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens campylotheca'],3,3,6.319857597351074 6896,8032,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4549644,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pityopsis graminifolia var. graminifolia,177992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pityopsis'],['Pityopsis graminifolia'],3,3,6.319857597351074 6897,8029,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.23322165,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium miczynskii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.4328866004943848 6898,8029,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.23322165,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium soppii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.4328866004943848 6899,8028,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.69951636,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.798065423965454 6900,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-NLBXNPPRSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13-,17-16-",C=CCCCC/C=C\C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bidens campylotheca,711728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens campylotheca'],3,3,6.341053009033203 6901,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-RBBHKJGASA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4-,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C\C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bellidiastrum michelii,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.341053009033203 6902,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Greenmaniella resinosa,400169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Greenmaniella'],['Greenmaniella resinosa'],3,3,6.341053009033203 6903,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia australis,673550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia australis'],3,3,6.341053009033203 6904,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],3,3,6.341053009033203 6905,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pleiotaxis rugosa,996682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Dicomeae'],['Pleiotaxis'],['Pleiotaxis rugosa'],3,3,6.341053009033203 6906,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-GZESPCIDSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4?,15-13+,17-16?",C=CCCCC/C=C/C=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],3,3,6.341053009033203 6907,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.341053009033203 6908,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.341053009033203 6909,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia merckii,404241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia merckii'],3,3,6.341053009033203 6910,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis longula,7602247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis longula'],3,3,6.341053009033203 6911,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis venusta,5794545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis venusta'],3,3,6.341053009033203 6912,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Calea ternifolia,5794515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea ternifolia'],3,3,6.341053009033203 6913,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Aster bellidiastrum,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.341053009033203 6914,8026,968,Fatty acids,Fatty acyls,Hydrocarbons,0.46026325,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pityopsis graminifolia var. graminifolia,177992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pityopsis'],['Pityopsis graminifolia'],3,3,6.341053009033203 6915,8025,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_minus1proton2sodium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6916,8025,-1,,,,0.0,MS1_match,ZQZRMATWXNZXDA-RDTXWAMCSA-N,"InChI=1S/C19H24O7/c1-26-17-9-12(4-5-15(17)22)18(24)14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25/h4-5,7-9,14,18,20-25H,2-3,6,10H2,1H3/t14-,18-/m1/s1",COc1cc([C@@H](O)[C@H](CO)c2cc(CCCO)cc(O)c2O)ccc1O,C19H24O7,pos_1_1proton2acetonitrile,364.1522031079999,ZQZRMATWXNZXDA,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6917,8024,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1proton1ammonium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 6918,8017,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777322,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,8.771092891693115 6919,8017,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777322,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,8.771092891693115 6920,8017,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777322,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,8.771092891693115 6921,8017,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777322,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,8.771092891693115 6922,8017,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777322,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,8.771092891693115 6923,8017,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777322,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,8.771092891693115 6924,8017,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777322,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,3,8.771092891693115 6925,8017,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777322,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,8.771092891693115 6926,8016,-1,,,,0.0,MS1_match,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,pos_1_1sodium,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 6927,8015,-1,,,,0.0,MS1_match,ZHHYXNZJDGDGPJ-BSWSSELBSA-N,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+",CCCC/C=C/C=C/C=O,C9H14O,pos_2MHCH3CN,138.104465068,ZHHYXNZJDGDGPJ,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 6928,8015,-1,,,,0.0,MS1_match,XLPDVYGDNRIQFV-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",Cc1ccc(C(C)(C)O)cc1,C10H14O,pos_2MHNH3,150.104465068,XLPDVYGDNRIQFV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 6929,8014,-1,,,,0.42899805,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,0,5.715992212295532 6930,8014,-1,,,,0.42899805,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,0,5.715992212295532 6931,8014,-1,,,,0.42899805,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,0,5.715992212295532 6932,8013,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1sodium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6933,8012,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34382722,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,8.875308871269226 6934,8011,335,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,VFLCKJPVDPYIKP-NHIJABKCSA-N,"InChI=1S/C32H54O6/c1-19(33)37-20-18-22-28(6)13-11-23(34)26(2,3)21(28)10-14-29(22,7)30(8)16-17-32(36,25(20)30)31(9)15-12-24(38-31)27(4,5)35/h20-25,34-36H,10-18H2,1-9H3/t20-,21-,22-,23-,24-,25+,28+,29-,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C32H54O6,pos_1_1sodium,534.392039448,VFLCKJPVDPYIKP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,3,8.5 6935,8010,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_2MNa,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6936,8009,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1potassium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6937,8008,-1,,,,0.0,MS1_match,QHOOFRIKIADFKW-VPPZANPOSA-N,"InChI=1S/C23H34O4/c1-21(2,26)17-7-8-18-16(14-15(17)6-9-20(25)27-5)10-12-23(4)19(24)11-13-22(18,23)3/h6,10,17-18,26H,7-9,11-14H2,1-5H3/b15-6-/t17-,18-,22+,23-/m1/s1",COC(=O)C/C=C1/CC2=CC[C@]3(C)C(=O)CC[C@@]3(C)[C@@H]2CC[C@H]1C(C)(C)O,C23H34O4,pos_1_1proton1ethylamine,374.245709568,QHOOFRIKIADFKW,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 6938,8007,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1proton1ethylamine,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 6939,8007,-1,,,,0.0,MS1_match,GKUUGJSKENHZEX-DJXSRFPXSA-N,"InChI=1S/C24H38O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,19-20,25H,2,5-11,13-16H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H38O5,pos_1_1proton1acetonitrile,406.271924316,GKUUGJSKENHZEX,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 6940,8006,-1,,,,0.7144967,ISDB,PKMBOLUTQNQQBP-MJFBQLCDSA-N,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3/t19-,20+,21+,22-,24-,26+,27-,28+,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@H]13,C30H46O2,,438.349780712,PKMBOLUTQNQQBP,Terpenoids,Triterpenoids,Bauerane triterpenoids,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],4,0,6.857986688613892 6941,8006,-1,,,,0.7144967,ISDB,PKMBOLUTQNQQBP-UHFFFAOYSA-N,"InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3",CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(=O)CCC6(C)C5C=CC4(OC2)C3C1C,C30H46O2,,438.349780712,PKMBOLUTQNQQBP,Terpenoids,Triterpenoids,Bauerane triterpenoids,Salvia mellifera,1609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia mellifera'],4,0,6.857986688613892 6942,8004,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.34024668,ISDB,,,,,,,PXCRURJBJRLWDQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3609867095947266 6943,8003,3176,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3594477,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,5.937790751457214 6944,8003,3176,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3594477,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,5.937790751457214 6945,8002,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.273845,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.595379948616028 6946,8001,-1,,,,0.7876415,ISDB,ZLLJDNGQDGFFLK-IBGZPJMESA-N,"InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1",CC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=CC3=C12,C19H25NO,,283.19361442,ZLLJDNGQDGFFLK,Terpenoids,Diterpenoids,,Nigella glandulifera,5737891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella glandulifera'],4,0,7.150566101074219 6947,8001,-1,,,,0.7876415,ISDB,ZLLJDNGQDGFFLK-IBGZPJMESA-N,"InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1",CC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=CC3=C12,C19H25NO,,283.19361442,ZLLJDNGQDGFFLK,Terpenoids,Diterpenoids,,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],4,0,7.150566101074219 6948,7999,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.387239,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.048956036567688 6949,7998,69,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.82083935,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.783357381820679 6950,7997,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.2607784,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.543113589286804 6951,7996,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1sodium,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 6952,7995,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3563662,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.925464749336243 6953,7995,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3563662,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.925464749336243 6954,7994,-1,,,,0.4165732,ISDB,DKMGVACNAAKVRR-MRBSYODNSA-N,"InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+",CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,DKMGVACNAAKVRR,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.666292786598206 6955,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,3,8.933871984481812 6956,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,3,8.933871984481812 6957,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,3,8.933871984481812 6958,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,3,8.933871984481812 6959,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,3,8.933871984481812 6960,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,3,8.933871984481812 6961,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,3,8.933871984481812 6962,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,3,8.933871984481812 6963,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,3,8.933871984481812 6964,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,3,8.933871984481812 6965,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,3,8.933871984481812 6966,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,3,8.933871984481812 6967,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,3,8.933871984481812 6968,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,3,8.933871984481812 6969,7993,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.858468,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,3,8.933871984481812 6970,7992,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6606927,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,10.142770767211914 6971,7991,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.66148853,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,10.145954132080078 6972,7990,69,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.82057077,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.782283067703247 6973,7989,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.56145287,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.745811462402344 6974,7988,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5559968,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.723987102508545 6975,7987,2445,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.33923462,ISDB,SRUJVPRJIUIPMG-PZOQDTOPSA-N,"InChI=1S/C32H48O4/c1-19-21-9-13-28(5)17-18-31(8)30(7)15-10-22-27(3,4)24(35-20(2)33)12-14-29(22,6)23(30)11-16-32(31,25(19)28)36-26(21)34/h11,16,19,21-25H,9-10,12-15,17-18H2,1-8H3/t19-,21-,22+,23-,24+,25-,28-,29+,30-,31+,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C=C[C@]45OC(=O)[C@@H]6CC[C@](C)(CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C)[C@H]5[C@@H]6C,C32H48O4,,496.355260016,SRUJVPRJIUIPMG,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Tripterygium doianum,293273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium doianum'],4,3,6.856938481330872 6976,7986,690,Terpenoids,Steroids,Spirostane steroids,0.5184575,ISDB,YEQBGJNMHDZXRG-NMTUBSNHSA-N,"InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,C27H40O2,,396.30283051999993,YEQBGJNMHDZXRG,Terpenoids,Steroids,Spirostane steroids,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,3,7.573829889297485 6977,7985,1069,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5921639,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,3,6.868655681610107 6978,7983,-1,,,,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 6979,7982,181,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,0.7618744,ISDB,ZJSIKVDEOWWVEH-KBPBESRZSA-N,"InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3/t13-,14-/m0/s1",C=C1CCCC(C)(C)[C@H]2C=C(C)CC[C@@H]12,C15H24,,204.187800768,ZJSIKVDEOWWVEH,Terpenoids,Sesquiterpenoids,Himachalane sesquiterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,2,11.047497510910034 6980,7977,-1,,,,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 6981,7977,-1,,,,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 6982,7974,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GZVIQGVWSNEONZ-RTBURBONSA-N,"InChI=1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2/t18-,19-/m1/s1",Oc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)cc2)cc1,C19H24O4,pos_1_1proton,316.16745924799994,GZVIQGVWSNEONZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 6983,7974,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,WPEUAPAFZISHMD-MRXNPFEDSA-N,"InChI=1S/C19H24O4/c20-16(9-5-14-6-10-17(21)11-7-14)4-2-1-3-15-8-12-18(22)19(23)13-15/h6-8,10-13,16,20-23H,1-5,9H2/t16-/m1/s1",Oc1ccc(CC[C@H](O)CCCCc2ccc(O)c(O)c2)cc1,C19H24O4,pos_1_1proton,316.167459248,WPEUAPAFZISHMD,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],6,3,7.5 6984,7973,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 6985,7972,-1,,,,0.6197968,ISDB,RWFVBIQKMCLKMM-CARKBDGISA-N,"InChI=1S/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,24+,26+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H46O4,,470.33960995199993,RWFVBIQKMCLKMM,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.479187250137329 6986,7971,439,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2763785,ISDB,SERPESJFVFFAKV-QRVBRYPASA-N,"InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(OO)CCC[C@]21C,C19H28O2,,288.208930136,SERPESJFVFFAKV,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,7.605514049530029 6987,7969,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77231306,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.589252233505249 6988,7969,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77231306,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.589252233505249 6989,7969,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77231306,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.589252233505249 6990,7969,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77231306,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.589252233505249 6991,7969,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77231306,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.589252233505249 6992,7968,1148,Shikimates and Phenylpropanoids,Diterpenoids,Cinnamoyl phenols,0.5094924,ISDB,IWXONSXPJNDWKR-AIADIJKESA-N,"InChI=1S/C20H22O3/c1-20(2,22)19-12-16-11-15(17(21)13-18(16)23-19)10-6-9-14-7-4-3-5-8-14/h3-9,11,13,19,21-22H,10,12H2,1-2H3/b9-6+/t19-/m0/s1",CC(C)(O)[C@@H]1Cc2cc(C/C=C/c3ccccc3)c(O)cc2O1,C20H22O3,,310.156894564,IWXONSXPJNDWKR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,Erythrina crista-galli,84915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina crista-galli'],3,3,6.537969589233398 6993,7966,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43390593,ISDB,PORHOKHIMOFMMH-FUMNGEBKSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18+,19+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O2,,302.2245802,PORHOKHIMOFMMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,9.235623717308044 6994,7963,-1,,,,0.33278894,ISDB,ALGYTGOYQATWBA-LNKGRISISA-N,"InChI=1S/C20H28O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,15-16,21,24H,5,8-9,11H2,1-4H3,(H,22,23)/t15-,16+,19+,20+/m0/s1",CC(C)(O)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O4,,332.19875937599994,ALGYTGOYQATWBA,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,0,6.331155776977539 6995,7963,-1,,,,0.33278894,ISDB,ALGYTGOYQATWBA-UHFFFAOYSA-N,"InChI=1S/C20H28O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,15-16,21,24H,5,8-9,11H2,1-4H3,(H,22,23)",CC(C)(O)c1ccc2c(c1)C(O)CC1C(C)(C(=O)O)CCCC21C,C20H28O4,,332.198759376,ALGYTGOYQATWBA,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,6.331155776977539 6996,7962,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43931553,ISDB,PORHOKHIMOFMMH-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3",CC(C)c1ccc2c(c1)C(O)CC1C(C)(CO)CCCC21C,C20H30O2,,302.2245802,PORHOKHIMOFMMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.257262110710144 6997,7962,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43931553,ISDB,PORHOKHIMOFMMH-FUMNGEBKSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18+,19+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O2,,302.2245802,PORHOKHIMOFMMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],5,3,8.257262110710144 6998,7962,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43931553,ISDB,PORHOKHIMOFMMH-FUMNGEBKSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18+,19+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O2,,302.2245802,PORHOKHIMOFMMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,3,8.257262110710144 6999,7962,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43931553,ISDB,PORHOKHIMOFMMH-FUMNGEBKSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18+,19+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O2,,302.2245802,PORHOKHIMOFMMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.257262110710144 7000,7960,1511,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.8016599,ISDB,YCXRBCHEOFVYEN-UHFFFAOYSA-N,"InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1,C33H24O10,,580.136946968,YCXRBCHEOFVYEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxodium huegelii,309291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Taxodium mucronatum'],5,3,9.706639528274536 7001,7960,1511,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.8016599,ISDB,YCXRBCHEOFVYEN-UHFFFAOYSA-N,"InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1,C33H24O10,,580.136946968,YCXRBCHEOFVYEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxodium distichum,538146.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Taxodium distichum'],5,3,9.706639528274536 7002,7960,1511,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.8016599,ISDB,YCXRBCHEOFVYEN-UHFFFAOYSA-N,"InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1,C33H24O10,,580.136946968,YCXRBCHEOFVYEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],5,3,9.706639528274536 7003,7960,1511,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.8016599,ISDB,YCXRBCHEOFVYEN-UHFFFAOYSA-N,"InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1,C33H24O10,,580.136946968,YCXRBCHEOFVYEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxodium mucronatum,309291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Taxodium mucronatum'],5,3,9.706639528274536 7004,7958,2989,Alkaloids,Tetramate alkaloids,Pyrrocidine tetramate alkaloids,0.47171244,ISDB,MAZDETZTAVRVEX-BKHPUCJFSA-N,"InChI=1S/C35H43NO4/c1-16-12-17(2)25-23(13-16)26-20(5)29-19(4)18(3)15-35(29,6)30-28(26)32(25)40-22-10-8-21(9-11-22)14-24-27(31(30)37)34(39)36(7)33(24)38/h8-11,15-17,19,23-28,30,32H,12-14H2,1-7H3/t16-,17+,19-,23-,24-,25-,26-,27+,28+,30+,32-,35-/m0/s1",CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@H]4C[C@@H](C)C[C@@H](C)[C@@H]4[C@@H]4Oc5ccc(cc5)C[C@@H]5C(=O)N(C)C(=O)[C@H]5C(=O)[C@H]2[C@H]43)[C@H]1C,C35H43NO4,,541.319208856,MAZDETZTAVRVEX,Alkaloids,Tetramate alkaloids,Pyrrocidine tetramate alkaloids,Phoma,197743.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Phoma'],['Unknown'],1,3,4.386849761009216 7005,7957,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8335844,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.834337711334229 7006,7957,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8335844,ISDB,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.834337711334229 7007,7956,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8333549,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.833419561386108 7008,7956,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8333549,ISDB,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.833419561386108 7009,7953,-1,,,,0.0,MS1_match,UGAGPNKCDRTDHP-UHFFFAOYSA-N,"InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)",O=C(O)CCCCCCCCCCCCCCCO,C16H32O3,pos_1_1sodium1acetonitrile,272.235144884,UGAGPNKCDRTDHP,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 7010,7952,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.9334235,ISDB,LCMPHUFXGRWSHE-ZUJGYIQBSA-N,"InChI=1S/C20H28O3/c1-11(2)20-9-6-13-12(16(20)23-20)10-14-15-18(13,3)7-5-8-19(15,4)17(21)22-14/h10-11,13-16H,5-9H2,1-4H3/t13-,14+,15-,16-,18+,19-,20-/m0/s1",CC(C)[C@@]12CC[C@H]3C(=C[C@H]4OC(=O)[C@@]5(C)CCC[C@@]3(C)[C@H]45)[C@@H]1O2,C20H28O3,,316.203844756,LCMPHUFXGRWSHE,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,2,9.733694076538086 7011,7949,504,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.50478476,ISDB,FMIMFCRXYXVFTA-FUAOEXFOSA-N,"InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O3,,454.344695332,FMIMFCRXYXVFTA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,3,10.519139051437378 7012,7944,2063,Terpenoids,Triterpenoids,Serratane triterpenoids,0.4736152,ISDB,VVUDCWPSEIDKOG-IILZIWPVSA-N,"InChI=1S/C29H44O2/c1-18-17-22-27(5,24(31)23(18)30)14-16-28(6)21-11-12-25(3)19(2)9-8-10-20(25)26(21,4)13-15-29(22,28)7/h8-9,18,20-22,24,31H,2,10-17H2,1,3-7H3/t18-,20-,21-,22+,24-,25-,26+,27-,28-,29-/m1/s1",C=C1C=CC[C@H]2[C@]3(C)CC[C@]4(C)[C@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C,C29H44O2,,424.334130648,VVUDCWPSEIDKOG,Terpenoids,Triterpenoids,Friedelane triterpenoids,Acanthothamnus aphyllus,739323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Acanthothamnus'],['Acanthothamnus aphyllus'],4,2,6.8944607973098755 7013,7943,2226,Terpenoids,Steroids,Ergostane steroids,0.43065453,ISDB,MYQAIYGVAHDZRD-JUIQTESCSA-N,"InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,19-21,23,25,27,30H,7,12,14-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,C29H44O,,408.339216028,MYQAIYGVAHDZRD,Terpenoids,Steroids,Ergostane steroids,Actinidia chinensis var. deliciosa,279986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia deliciosa'],4,3,7.222618103027344 7014,7942,2945,,,,0.53142065,ISDB,,,,,,,PEQAFOAATUJIMD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1256825923919678 7015,7941,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8102685,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.241074085235596 7016,7941,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8102685,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.241074085235596 7017,7940,809,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.38506106,ISDB,LUJTWDWEYNWTBP-USPQCQLHSA-N,"InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1,C30H48O4,,472.3552600159999,LUJTWDWEYNWTBP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Astilbe chinensis,271918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Astilbe'],['Astilbe chinensis'],5,3,8.040244221687317 7018,7940,809,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.38506106,ISDB,LUJTWDWEYNWTBP-USPQCQLHSA-N,"InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1,C30H48O4,,472.3552600159999,LUJTWDWEYNWTBP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Astilbe grandis,274079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Astilbe'],['Astilbe grandis'],5,3,8.040244221687317 7019,7940,809,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.38506106,ISDB,LUJTWDWEYNWTBP-USPQCQLHSA-N,"InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1,C30H48O4,,472.3552600159999,LUJTWDWEYNWTBP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Astilbe koreana,1062960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Astilbe'],['Astilbe koreana'],5,3,8.040244221687317 7020,7940,809,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.38506106,ISDB,LUJTWDWEYNWTBP-UHFFFAOYSA-N,"InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)",CC1(C)CCC2(C)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C2C1,C30H48O4,,472.35526001599993,LUJTWDWEYNWTBP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Astilbe thunbergii,68818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Astilbe'],['Astilbe thunbergii'],5,3,8.040244221687317 7021,7940,809,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.38506106,ISDB,LUJTWDWEYNWTBP-USPQCQLHSA-N,"InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1,C30H48O4,,472.3552600159999,LUJTWDWEYNWTBP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Astilbe rubra,68805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Astilbe'],['Astilbe rubra'],5,3,8.040244221687317 7022,7937,-1,,,,0.6969716,ISDB,XAYVLUVWBBOCRT-MQYXYMALSA-N,"InChI=1S/C22H30O4/c1-7-21(5)12-14-15(24)11-16-20(3,4)9-8-10-22(16,6)17(14)18(25)19(21)26-13(2)23/h7,16,19H,1,8-12H2,2-6H3/t16-,19+,21+,22-/m0/s1",C=C[C@]1(C)CC2=C(C(=O)[C@H]1OC(C)=O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C22H30O4,,358.21440944,XAYVLUVWBBOCRT,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Vellozia compacta,524047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia compacta'],3,0,5.787886381149292 7023,7936,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61252105,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,8.950084209442139 7024,7936,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61252105,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Taxodium,652337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Unknown'],5,3,8.950084209442139 7025,7936,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61252105,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Taxodium distichum,538146.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Taxodium distichum'],5,3,8.950084209442139 7026,7936,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61252105,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,8.950084209442139 7027,7935,192,Terpenoids,Diterpenoids,Cassane diterpenoids,0.51667434,ISDB,MYVHVFGKOZGBLW-UHFFFAOYSA-N,"InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3",C=C1c2ccoc2CC2C1CCC1(O)C(C)(C)C(OC(C)=O)CC(OC(C)=O)C21C,C24H32O6,,416.219888744,MYVHVFGKOZGBLW,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.566697359085083 7028,7935,192,Terpenoids,Diterpenoids,Cassane diterpenoids,0.51667434,ISDB,MYVHVFGKOZGBLW-UHFFFAOYSA-N,"InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3",C=C1c2ccoc2CC2C1CCC1(O)C(C)(C)C(OC(C)=O)CC(OC(C)=O)C21C,C24H32O6,,416.219888744,MYVHVFGKOZGBLW,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.566697359085083 7029,7934,192,Terpenoids,Diterpenoids,Cassane diterpenoids,0.4976879,ISDB,MYVHVFGKOZGBLW-UHFFFAOYSA-N,"InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3",C=C1c2ccoc2CC2C1CCC1(O)C(C)(C)C(OC(C)=O)CC(OC(C)=O)C21C,C24H32O6,,416.219888744,MYVHVFGKOZGBLW,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.490751624107361 7030,7934,192,Terpenoids,Diterpenoids,Cassane diterpenoids,0.4976879,ISDB,MYVHVFGKOZGBLW-UHFFFAOYSA-N,"InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3",C=C1c2ccoc2CC2C1CCC1(O)C(C)(C)C(OC(C)=O)CC(OC(C)=O)C21C,C24H32O6,,416.219888744,MYVHVFGKOZGBLW,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.490751624107361 7031,7933,256,Fatty acids,Fatty amides,Primary amides,0.8189883,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.77595329284668 7032,7930,256,Fatty acids,Fatty amides,Primary amides,0.8101228,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],3,3,7.740491151809692 7033,7929,-1,,,,0.32323876,ISDB,,,,,,,XBFSTWOIPHKKEI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2929550409317017 7034,7928,1050,Terpenoids,Pseudoalkaloids,Labdane diterpenoids,0.0,MS1_match,ZHVWMZSTIUJLTP-UHFFFAOYSA-N,"InChI=1S/C10H13N5/c1-6(2)3-4-7-14-9(11)8-10(15-7)13-5-12-8/h3-6H,1-2H3,(H3,11,12,13,14,15)",CC(C)C=Cc1nc(N)c2ncnc-2[nH]1,C10H13N5,pos_2MK,203.117095416,ZHVWMZSTIUJLTP,Alkaloids,Pseudoalkaloids,Purine alkaloids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,2,7.0 7035,7927,-1,,,,0.619193,ISDB,MKFVHOZHTXBXCX-KSZLIROESA-N,"InChI=1S/C18H37NO2/c1-16-18(21)14-13-17(19-16)12-10-8-6-4-2-3-5-7-9-11-15-20/h16-21H,2-15H2,1H3/t16-,17+,18-/m0/s1",C[C@@H]1N[C@H](CCCCCCCCCCCCO)CC[C@@H]1O,C18H37NO2,,299.282429424,MKFVHOZHTXBXCX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Prosopis alba,66219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis alba'],6,0,8.47677206993103 7036,7917,509,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6322978,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.029191255569458 7037,7916,1050,Terpenoids,Pseudoalkaloids,Labdane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1proton1acetonitrile,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 7038,7915,-1,,,,0.0,MS1_match,QLGBFSDOQQJBPS-BWDLCDSDSA-N,"InChI=1S/C42H50O15/c1-24(43)52-14-10-11-30-17-35(41(56-28(5)47)39(20-30)50-8)36-18-32(21-40(51-9)42(36)57-29(6)48)16-34(23-54-26(3)45)33(22-53-25(2)44)15-31-12-13-37(55-27(4)46)38(19-31)49-7/h10-13,17-21,33-34,39,41H,14-16,22-23H2,1-9H3/b11-10+/t33-,34+,39-,41+/m0/s1",COc1cc(C[C@@H](COC(C)=O)[C@@H](COC(C)=O)Cc2cc(OC)c(OC(C)=O)c(C3=CC(/C=C/COC(C)=O)=C[C@H](OC)[C@@H]3OC(C)=O)c2)ccc1OC(C)=O,C42H50O15,pos_2_2proton2acetonitrile,794.3149709,QLGBFSDOQQJBPS,Shikimates and Phenylpropanoids,,,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,0,6.0 7039,7913,509,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.63159937,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.026397466659546 7040,7909,947,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5971826,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,3,6.88873028755188 7041,7909,947,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5971826,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],3,3,6.88873028755188 7042,7906,947,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.613111,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,3,6.952444076538086 7043,7906,947,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.613111,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],3,3,6.952444076538086 7044,7905,-1,,,,0.48609847,ISDB,,,,,,,WCMSFBRREKZZFL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9443938732147217 7045,7904,-1,,,,0.85018146,ISDB,BZXCDBSZDXKQKS-UHFFFAOYSA-N,"InChI=1S/C32H22O10/c1-38-19-7-3-17(4-8-19)26-14-23(36)30-24(37)15-28(39-2)31(32(30)42-26)40-20-9-5-16(6-10-20)25-13-22(35)29-21(34)11-18(33)12-27(29)41-25/h3-15,33-34,37H,1-2H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(Oc4ccc(-c5cc(=O)c6c(O)cc(O)cc6o5)cc4)c3o2)cc1,C32H22O10,,566.121296904,BZXCDBSZDXKQKS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,10.400725841522217 7046,7903,-1,,,,0.0,MS1_match,MVSNOMINTBGJOH-STZQEDGTSA-N,"InChI=1S/C22H28O5/c1-13(23)27-20(2,3)14-7-8-16-15(11-14)17(24)12-18-21(16,4)9-6-10-22(18,5)19(25)26/h7-8,11,18H,6,9-10,12H2,1-5H3,(H,25,26)/t18-,21-,22-/m1/s1",CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C22H28O5,pos_1_1proton1ethylamine,372.193673996,MVSNOMINTBGJOH,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,6.0 7047,7902,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],6,0,6.0 7048,7902,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 7049,7902,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 7050,7902,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus torreyana,635132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus torreyana'],6,0,6.0 7051,7902,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],6,0,6.0 7052,7899,1453,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6732656,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.19306230545044 7053,7898,1052,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.56706715,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.768268585205078 7054,7897,511,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.40136024,ISDB,NXJIENULLHZFNA-NTICDAHTSA-N,"InChI=1S/C30H38O8/c1-7-17(2)12-13-29(5)18(3)14-25(33)30-23(27(35-6)38-28(30)36-19(4)31)15-22(16-24(29)30)37-26(34)20-8-10-21(32)11-9-20/h7-11,15,18,22,24-25,27-28,32-33H,1-2,12-14,16H2,3-6H3/t18-,22-,24+,25+,27+,28-,29-,30-/m1/s1",C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@@H](OC(=O)c4ccc(O)cc4)C[C@@H]12)[C@@H](OC)O[C@H]3OC(C)=O,C30H38O8,,526.2566681759998,NXJIENULLHZFNA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Hymenopus intrapetiolaris,3915771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Chrysobalanaceae'],['Unknown'],['Licania'],['Licania intrapetiolaris'],3,3,6.105440974235535 7055,7897,511,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.40136024,ISDB,NXJIENULLHZFNA-NTICDAHTSA-N,"InChI=1S/C30H38O8/c1-7-17(2)12-13-29(5)18(3)14-25(33)30-23(27(35-6)38-28(30)36-19(4)31)15-22(16-24(29)30)37-26(34)20-8-10-21(32)11-9-20/h7-11,15,18,22,24-25,27-28,32-33H,1-2,12-14,16H2,3-6H3/t18-,22-,24+,25+,27+,28-,29-,30-/m1/s1",C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@@H](OC(=O)c4ccc(O)cc4)C[C@@H]12)[C@@H](OC)O[C@H]3OC(C)=O,C30H38O8,,526.2566681759998,NXJIENULLHZFNA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Licania intrapetiolaris,3915771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Chrysobalanaceae'],['Unknown'],['Licania'],['Licania intrapetiolaris'],3,3,6.105440974235535 7056,7895,33,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36004868,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.940194725990295 7057,7894,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,1,6.5 7058,7892,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.51783085,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,2,10.07132339477539 7059,7891,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.57573485,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.802939414978027 7060,7890,511,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.40216854,ISDB,NXJIENULLHZFNA-NTICDAHTSA-N,"InChI=1S/C30H38O8/c1-7-17(2)12-13-29(5)18(3)14-25(33)30-23(27(35-6)38-28(30)36-19(4)31)15-22(16-24(29)30)37-26(34)20-8-10-21(32)11-9-20/h7-11,15,18,22,24-25,27-28,32-33H,1-2,12-14,16H2,3-6H3/t18-,22-,24+,25+,27+,28-,29-,30-/m1/s1",C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@@H](OC(=O)c4ccc(O)cc4)C[C@@H]12)[C@@H](OC)O[C@H]3OC(C)=O,C30H38O8,,526.2566681759998,NXJIENULLHZFNA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Hymenopus intrapetiolaris,3915771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Chrysobalanaceae'],['Unknown'],['Licania'],['Licania intrapetiolaris'],3,3,6.108674168586731 7061,7890,511,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.40216854,ISDB,NXJIENULLHZFNA-NTICDAHTSA-N,"InChI=1S/C30H38O8/c1-7-17(2)12-13-29(5)18(3)14-25(33)30-23(27(35-6)38-28(30)36-19(4)31)15-22(16-24(29)30)37-26(34)20-8-10-21(32)11-9-20/h7-11,15,18,22,24-25,27-28,32-33H,1-2,12-14,16H2,3-6H3/t18-,22-,24+,25+,27+,28-,29-,30-/m1/s1",C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@@H](OC(=O)c4ccc(O)cc4)C[C@@H]12)[C@@H](OC)O[C@H]3OC(C)=O,C30H38O8,,526.2566681759998,NXJIENULLHZFNA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Licania intrapetiolaris,3915771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Chrysobalanaceae'],['Unknown'],['Licania'],['Licania intrapetiolaris'],3,3,6.108674168586731 7062,7888,-1,,,,0.49328512,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,0,8.973140478134155 7063,7887,33,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36003956,ISDB,,,,,,,NLWCPTLQEZKUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4401582479476929 7064,7886,-1,,,,0.3644692,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,7.457876801490784 7065,7885,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.554893,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,2,6.219572067260742 7066,7884,-1,,,,0.0,MS1_match,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,pos_1_1sodium,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 7067,7884,-1,,,,0.0,MS1_match,MKABKMLRRKPPCP-GSEOLPGOSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23)/t16-,18+,19-,20-/m1/s1",C=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,pos_1_1sodium,316.203844756,MKABKMLRRKPPCP,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 7068,7883,2535,Terpenoids,Diterpenoids,Abietane diterpenoids,0.22054154,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,1,4.382166147232056 7069,7882,1602,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41361445,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.154457807540894 7070,7881,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61845034,ISDB,WDXRGPWQVHZTQJ-AUKWTSKRSA-N,"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1",C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H28O2,,312.208930136,WDXRGPWQVHZTQJ,Terpenoids,Steroids,Pregnane steroids,Commiphora wightii,968492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora wightii'],3,1,5.973801374435425 7071,7881,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61845034,ISDB,WDXRGPWQVHZTQJ-AUKWTSKRSA-N,"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1",C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H28O2,,312.208930136,WDXRGPWQVHZTQJ,Terpenoids,Steroids,Pregnane steroids,Commiphora mukul,7058218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora mukul'],3,1,5.973801374435425 7072,7880,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.60791016,ISDB,WDXRGPWQVHZTQJ-AUKWTSKRSA-N,"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1",C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H28O2,,312.208930136,WDXRGPWQVHZTQJ,Terpenoids,Steroids,Pregnane steroids,Commiphora wightii,968492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora wightii'],3,1,5.931640625 7073,7880,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.60791016,ISDB,WDXRGPWQVHZTQJ-AUKWTSKRSA-N,"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1",C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H28O2,,312.208930136,WDXRGPWQVHZTQJ,Terpenoids,Steroids,Pregnane steroids,Commiphora mukul,7058218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora mukul'],3,1,5.931640625 7074,7879,-1,,,,0.7338137,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.935254812240601 7075,7878,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.50699866,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.527994632720947 7076,7878,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.50699866,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.527994632720947 7077,7875,897,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.73670965,ISDB,IHBQEDJQLPQAHW-MUUNZHRXSA-N,"InChI=1S/C33H26O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-13,15,28,34-36H,14H2,1-3H3/t28-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc([C@H]5CC(=O)c6c(O)cc(OC)cc6O5)ccc4OC)c3o2)cc1,C33H26O10,,582.152597032,IHBQEDJQLPQAHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,11.446838617324829 7078,7874,-1,,,,0.74691397,ISDB,VGPPZJJHLBHJHM-UHFFFAOYSA-N,"InChI=1S/C19H26O3/c1-10(2)15-13(20)8-14-16-11-9-19(5,21-14)7-6-12(11)18(3,4)22-17(15)16/h8,10-12,20H,6-7,9H2,1-5H3",CC(C)c1c(O)cc2c3c1OC(C)(C)C1CCC(C)(CC31)O2,C19H26O3,,302.188194692,VGPPZJJHLBHJHM,Polyketides,,,Hypericum roeperianum,905362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum roeperianum'],3,0,5.987655878067017 7079,7873,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.44470045,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.278801798820496 7080,7872,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.50978917,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.539156675338745 7081,7872,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.50978917,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.539156675338745 7082,7871,-1,,,,0.46943647,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,8.877745866775513 7083,7870,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1sodium1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 7084,7869,1206,Fatty acids,Fatty amides,N-acyl amines,0.42025787,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,7.1810314655303955 7085,7869,1206,Fatty acids,Fatty amides,N-acyl amines,0.42025787,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,3,7.1810314655303955 7086,7869,1206,Fatty acids,Fatty amides,N-acyl amines,0.42025787,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,3,7.1810314655303955 7087,7866,1206,Fatty acids,Fatty amides,N-acyl amines,0.44719332,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,7.28877329826355 7088,7866,1206,Fatty acids,Fatty amides,N-acyl amines,0.44719332,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,3,7.28877329826355 7089,7866,1206,Fatty acids,Fatty amides,N-acyl amines,0.44719332,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,3,7.28877329826355 7090,7865,1206,Fatty acids,Fatty amides,N-acyl amines,0.43431202,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,3,7.237248063087463 7091,7865,1206,Fatty acids,Fatty amides,N-acyl amines,0.43431202,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],4,3,7.237248063087463 7092,7865,1206,Fatty acids,Fatty amides,N-acyl amines,0.43431202,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],4,3,7.237248063087463 7093,7864,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7491653,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9966611862182617 7094,7863,-1,,,,0.30191135,ISDB,,,,,,,HTYVTONKQSQSOX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2076454162597656 7095,7862,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,pos_1_1proton,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 7096,7862,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,NVXMKMSYGAERCC-XUVXKRRUSA-N,"InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h6-7,10-11,13,18,21-22H,5,8-9,12H2,1-4H3/t18-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(CO)[C@@H]1C=C2,C20H28O2,pos_1_1proton,300.208930136,NVXMKMSYGAERCC,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 7097,7862,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,pos_1_1proton,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,8.5 7098,7862,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,pos_1_1proton,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 7099,7862,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,JZYNFCPCWFSNOL-LXBJXQDPSA-N,"InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32+,33-,34-,35-,36-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@H]21,C40H56O4,pos_2_2proton,600.417860272,JZYNFCPCWFSNOL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 7100,7861,-1,,,,0.38646895,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,4.545875787734985 7101,7860,-1,,,,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 7102,7860,-1,,,,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 7103,7859,2197,Terpenoids,Triterpenoids,Lupane triterpenoids,0.64298064,ISDB,IMLYZVRFONVJHK-ZKQVNDDQSA-N,"InChI=1S/C27H40O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-19,21H,6-15H2,1-5H3/t16-,17+,18+,19-,21+,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H]6CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)C(=O)O6,C27H40O3,,412.29774514,IMLYZVRFONVJHK,Terpenoids,Triterpenoids,Lupane triterpenoids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,3,8.071922540664673 7104,7858,1602,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54359573,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,8.67438292503357 7105,7858,1602,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54359573,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Taxodium,652337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Unknown'],5,3,8.67438292503357 7106,7858,1602,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54359573,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Taxodium distichum,538146.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Taxodium distichum'],5,3,8.67438292503357 7107,7858,1602,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54359573,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,8.67438292503357 7108,7857,-1,,,,0.6866888,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.746755123138428 7109,7856,-1,,,,0.22605895,ISDB,XITBGHDSLKRVMR-GJGAYOQOSA-N,"InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+/t20?,25-,26-,27?,28-,29+,32-,33-,34-/m1/s1",CC(=O)O[C@H]1C[C@H](C(C)[C@H](O)C/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CCC4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C,C34H50O7,,570.35565394,XITBGHDSLKRVMR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Ganoderma lucidum,60045.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Ganodermataceae'],['Unknown'],['Ganoderma'],['Ganoderma lucidum'],1,0,1.9042357802391052 7110,7854,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.7475868,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],3,2,6.990347146987915 7111,7854,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.7475868,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],3,2,6.990347146987915 7112,7853,57,Terpenoids,Steroids,Cardenolides,0.3289035,ISDB,,,,,,,NLDDAQSAGIEQAK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3156139850616455 7113,7852,-1,,,,0.22491851,ISDB,UDDBQHDQODRIRM-JKXQSFPISA-N,"InChI=1S/C24H37NO6/c1-14-15(13-17(27)25(4)11-12-26)7-8-16-18(14)19(28)20(29)21-23(16,2)9-6-10-24(21,3)22(30)31-5/h13-14,16,18-19,21,26,28H,6-12H2,1-5H3/b15-13+/t14-,16-,18-,19+,21+,23+,24-/m0/s1",COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1C(=O)[C@H](O)[C@H]1[C@@H](C)/C(=C/C(=O)N(C)CCO)CC[C@@H]12,C24H37NO6,,435.262087904,UDDBQHDQODRIRM,Terpenoids,Diterpenoids,Cassane diterpenoids,Erythrophleum fordii,40823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Erythrophleum'],['Erythrophleum fordii'],3,0,3.8996740579605103 7114,7851,987,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,QYGPFTLXAZGSEF-JXLDSLNTSA-N,"InChI=1S/C30H52O5/c1-24(2)19-9-13-27(6)20(26(19,5)12-10-21(24)32)17-18(31)23-28(27,7)15-16-30(23,34)29(8)14-11-22(35-29)25(3,4)33/h18-23,31-34H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,26+,27-,28-,29-,30-/m1/s1",CC(C)(O)[C@H]1CC[C@](C)([C@@]2(O)CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1,C30H52O5,pos_1_1sodium,492.381474764,QYGPFTLXAZGSEF,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 7115,7851,987,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,GTRLKOLLAMWWRB-XQWKPYBISA-N,"InChI=1S/C30H52O5/c1-18(2)19(31)9-14-29(8,34)30(35)16-15-28(7)24(30)20(32)17-22-26(5)12-11-23(33)25(3,4)21(26)10-13-27(22,28)6/h19-24,31-35H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23-,24-,26+,27-,28-,29+,30-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O5,pos_1_1sodium,492.381474764,GTRLKOLLAMWWRB,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 7116,7851,987,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,XLMGQIWAQRLJOD-DMDPLUFTSA-N,"InChI=1S/C30H52O5/c1-24(2,33)12-9-13-29(8,34)30(35)17-16-28(7)23(30)19(31)18-21-26(5)14-11-22(32)25(3,4)20(26)10-15-27(21,28)6/h9,12,19-23,31-35H,10-11,13-18H2,1-8H3/b12-9+/t19-,20+,21+,22+,23-,26+,27-,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C[C@](C)(O)[C@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C,C30H52O5,pos_1_1sodium,492.381474764,XLMGQIWAQRLJOD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 7117,7850,-1,,,,0.5573026,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,10.229210376739502 7118,7849,2698,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KIJYSICAJWQCER-LKZNCAPQSA-N,"InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22+,23-,24+,25-,28+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,pos_1_minus1proton1iron,514.3658246999998,KIJYSICAJWQCER,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis racemosa,3904038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis racemosa'],6,3,7.5 7119,7848,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4912646,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,2,8.965058445930481 7120,7848,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4912646,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,2,8.965058445930481 7121,7848,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4912646,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],6,2,8.965058445930481 7122,7848,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4912646,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,2,8.965058445930481 7123,7848,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4912646,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,2,8.965058445930481 7124,7848,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4912646,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,2,8.965058445930481 7125,7848,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.4912646,ISDB,PGTJIOWQJWHTJJ-CHWSQXEVSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m1/s1",Cc1ccc2c(c1)[C@@H](C(C)C)CC[C@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Endiandra baillonii,6026196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Endiandra'],['Endiandra baillonii'],6,2,8.965058445930481 7126,7845,-1,,,,0.3667614,ISDB,IPEHJNRNYPOFII-AZUAARDMSA-N,"InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O2,,300.208930136,IPEHJNRNYPOFII,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,8.467045545578003 7127,7844,1018,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6029456,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,8.911782503128052 7128,7844,1018,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6029456,ISDB,PTQFIYQNKVSVGM-GUDVDZBRSA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],5,3,8.911782503128052 7129,7844,1018,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6029456,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.911782503128052 7130,7842,-1,,,,0.0,MS1_match,IMQNAOBCKHPLGV-UHFFFAOYSA-N,"InChI=1S/C33H24O10/c1-39-18-6-4-16(5-7-18)26-13-24(37)32-25(38)15-28(41-3)30(33(32)43-26)21-12-19(40-2)8-9-20(21)27-14-23(36)31-22(35)10-17(34)11-29(31)42-27/h4-15,34-35,38H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4cc(OC)ccc4-c4cc(=O)c5c(O)cc(O)cc5o4)c3o2)cc1,C33H24O10,pos_2MH,580.136946968,IMQNAOBCKHPLGV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 7131,7842,-1,,,,0.0,MS1_match,YCXRBCHEOFVYEN-UHFFFAOYSA-N,"InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1,C33H24O10,pos_2MH,580.136946968,YCXRBCHEOFVYEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 7132,7842,-1,,,,0.0,MS1_match,RROKRDUARFDCDH-UHFFFAOYSA-N,"InChI=1S/C33H24O10/c1-39-19-7-4-16(5-8-19)26-14-23(37)32-24(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-25(20)40-2)27-13-22(36)31-21(35)11-18(34)12-29(31)42-27/h4-15,34-35,38H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4OC)c3o2)cc1,C33H24O10,pos_2MH,580.1369469679998,RROKRDUARFDCDH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 7133,7841,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.44873312,ISDB,BXCDNFMSWNBZGR-PKIGEZQHSA-N,"InChI=1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22+,23-,24+,27+,30+,31-,32-,33+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C33H50O6,,542.36073932,BXCDNFMSWNBZGR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,2,6.79493248462677 7134,7840,1511,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.7960512,ISDB,YCXRBCHEOFVYEN-UHFFFAOYSA-N,"InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1,C33H24O10,,580.136946968,YCXRBCHEOFVYEN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,11.684204816818237 7135,7839,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RSTYWOGTSWZRCI-XCGADFGRSA-N,"InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23-,24+,25-,26-,29+,31+,32-,33-,34+,35-/m1/s1",C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C,C35H56O9,pos_1_1sodium,620.392433372,RSTYWOGTSWZRCI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 7136,7839,396,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,OITYFEGPXGMPAP-JNNIKVRZSA-N,"InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22-,23+,24-,25-,28+,31+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12,C35H56O9,pos_1_1sodium,620.392433372,OITYFEGPXGMPAP,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 7137,7838,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6486329,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,1,7.094531536102295 7138,7838,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6486329,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,1,7.094531536102295 7139,7838,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6486329,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Eucalyptus delegatensis,771613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus delegatensis'],4,1,7.094531536102295 7140,7838,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6486329,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,1,7.094531536102295 7141,7838,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6486329,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Thymus saturejoides,905407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus saturejoides'],4,1,7.094531536102295 7142,7838,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6486329,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],4,1,7.094531536102295 7143,7838,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.6486329,ISDB,XWWZJGOBESJRBC-UHFFFAOYSA-N,"InChI=1S/C30H44O/c1-15-20-10-18(27(20,4)5)11-22(15)30(14-19-12-23(17(30)3)28(19,6)7)25-16(2)21-13-24(26(25)31)29(21,8)9/h18-19,22,24-26,31H,10-14H2,1-9H3",CC1=C2CC(CC1C1(C3C(C)=C4CC(C3O)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C,C30H44O,,420.339216028,XWWZJGOBESJRBC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,1,7.094531536102295 7144,7837,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.28328964,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia celebica,729746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia celebica'],4,3,6.633158564567566 7145,7837,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.28328964,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia speciosa,885608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia speciosa'],4,3,6.633158564567566 7146,7836,-1,,,,0.7935229,ISDB,BFCPRIFFJUHFAD-UHFFFAOYSA-N,"InChI=1S/C14H24N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",O=C(NC1CCCCC1)C(=O)NC1CCCCC1,C14H24N2O2,,252.183778008,BFCPRIFFJUHFAD,,,,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],3,0,6.174091577529907 7147,7834,1085,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6682235,ISDB,XEWGBGIXCMXJPI-KEGXSBDUSA-N,"InChI=1S/C20H32O2/c1-5-18(2)10-7-15-14(12-18)11-16(22)17-19(3,13-21)8-6-9-20(15,17)4/h5,16-17,21-22H,1,6-13H2,2-4H3/t16-,17?,18-,19-,20+/m0/s1",C=C[C@@]1(C)CCC2=C(C[C@H](O)C3[C@](C)(CO)CCC[C@]23C)C1,C20H32O2,,304.240230264,XEWGBGIXCMXJPI,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Tetraclinis articulata,194278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Tetraclinis'],['Tetraclinis articulata'],5,3,9.17289400100708 7148,7824,713,Terpenoids,Steroids,Androstane steroids,0.69346845,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.273873805999756 7149,7823,-1,,,,0.0,MS1_match,PWYIITFCWUJCMR-DDZXFPHNSA-N,"InChI=1S/C21H32O4/c1-14(12-20(23)24)7-9-18-15(2)8-10-19-17(13-25-16(3)22)6-5-11-21(18,19)4/h12,17-19H,2,5-11,13H2,1,3-4H3,(H,23,24)/b14-12+/t17-,18+,19+,21-/m1/s1",C=C1CC[C@H]2[C@@H](COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C21H32O4,pos_1_1sodium,348.23005950399994,PWYIITFCWUJCMR,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 7150,7823,-1,,,,0.0,MS1_match,OISFHODBOQNZAG-DLBZAZTESA-N,"InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)/t16-,17+/m0/s1",O=C(O)CCCCCCC[C@@H](O)[C@@H](O)CCCCCCCCO,C18H36O5,pos_1_1potassium,332.256274252,OISFHODBOQNZAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 7151,7823,-1,,,,0.0,MS1_match,OISFHODBOQNZAG-DLBZAZTESA-N,"InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)/t16-,17+/m0/s1",O=C(O)CCCCCCC[C@@H](O)[C@@H](O)CCCCCCCCO,C18H36O5,pos_1_1potassium,332.256274252,OISFHODBOQNZAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 7152,7822,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61963934,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.978557348251343 7153,7821,1925,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,MRGKHDWUXCFJLK-JQERWDHBSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15,17H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O3,pos_1_1proton1methanol,316.203844756,MRGKHDWUXCFJLK,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,8.5 7154,7820,511,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.4007771,ISDB,NXJIENULLHZFNA-NTICDAHTSA-N,"InChI=1S/C30H38O8/c1-7-17(2)12-13-29(5)18(3)14-25(33)30-23(27(35-6)38-28(30)36-19(4)31)15-22(16-24(29)30)37-26(34)20-8-10-21(32)11-9-20/h7-11,15,18,22,24-25,27-28,32-33H,1-2,12-14,16H2,3-6H3/t18-,22-,24+,25+,27+,28-,29-,30-/m1/s1",C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@@H](OC(=O)c4ccc(O)cc4)C[C@@H]12)[C@@H](OC)O[C@H]3OC(C)=O,C30H38O8,,526.2566681759998,NXJIENULLHZFNA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Hymenopus intrapetiolaris,3915771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Chrysobalanaceae'],['Unknown'],['Licania'],['Licania intrapetiolaris'],3,3,6.1031084060668945 7155,7820,511,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.4007771,ISDB,NXJIENULLHZFNA-NTICDAHTSA-N,"InChI=1S/C30H38O8/c1-7-17(2)12-13-29(5)18(3)14-25(33)30-23(27(35-6)38-28(30)36-19(4)31)15-22(16-24(29)30)37-26(34)20-8-10-21(32)11-9-20/h7-11,15,18,22,24-25,27-28,32-33H,1-2,12-14,16H2,3-6H3/t18-,22-,24+,25+,27+,28-,29-,30-/m1/s1",C=CC(=C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@@H](OC(=O)c4ccc(O)cc4)C[C@@H]12)[C@@H](OC)O[C@H]3OC(C)=O,C30H38O8,,526.2566681759998,NXJIENULLHZFNA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Licania intrapetiolaris,3915771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Chrysobalanaceae'],['Unknown'],['Licania'],['Licania intrapetiolaris'],3,3,6.1031084060668945 7156,7818,1925,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28678384,ISDB,CDSMEVRLHTXVHK-NQMYEVRTSA-N,"InChI=1S/C21H32O4/c1-13(2)21(25-5)10-7-15-14(12-21)16(22)11-17-19(15,3)8-6-9-20(17,4)18(23)24/h12-13,15,17H,6-11H2,1-5H3,(H,23,24)/t15-,17+,19+,20+,21+/m0/s1",CO[C@@]1(C(C)C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C21H32O4,,348.23005950399994,CDSMEVRLHTXVHK,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.647135376930237 7157,7816,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5952843,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.881137132644653 7158,7816,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5952843,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.881137132644653 7159,7816,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5952843,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,3,8.881137132644653 7160,7816,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5952843,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,8.881137132644653 7161,7815,2725,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.53234166,ISDB,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.629366636276245 7162,7814,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.50884926,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,2,10.035397052764893 7163,7812,-1,,,,0.65918356,ISDB,ZTYYPWHDMAKUDN-XKDZVGHHSA-N,"InChI=1S/C36H48O12/c1-13(2)31(41)48-30-28-19(46-28)11-18-26(39)27(40)22-17(33(18,30)6)12-20(44-15(4)37)34(7)23-14(3)10-21-35(8,36(9,43)32(42)47-21)25(23)29(24(22)34)45-16(5)38/h10,13-14,17-20,22-25,27-30,40,43H,11-12H2,1-9H3/t14-,17+,18?,19+,20+,22-,23+,24-,25-,27-,28+,29-,30+,33-,34-,35+,36-/m1/s1",CC(=O)O[C@@H]1[C@H]2[C@@H]3[C@@H](O)C(=O)C4C[C@@H]5O[C@@H]5[C@H](OC(=O)C(C)C)[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]2(C)[C@@H]2[C@H]1[C@]1(C)C(=C[C@H]2C)OC(=O)[C@@]1(C)O,C36H48O12,,672.314576976,ZTYYPWHDMAKUDN,Terpenoids,Steroids,Ergostane steroids,Tacca chantrieri,1061698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Taccaceae'],['Unknown'],['Tacca'],['Tacca chantrieri'],4,0,6.636734247207642 7164,7811,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.5116994,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,2,10.046797513961792 7165,7810,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.500225,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],4,1,6.500900030136108 7166,7810,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.500225,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Sarcococca ruscifolia,437379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca ruscifolia'],4,1,6.500900030136108 7167,7810,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.500225,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],4,1,6.500900030136108 7168,7809,972,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6459983,ISDB,GDLRDIDXYBIPFY-YWZLYKJASA-N,"InChI=1S/C20H28O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9,11,15,22-23H,6-8,10H2,1-5H3/t15-,20-/m0/s1",CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O3,,316.203844756,GDLRDIDXYBIPFY,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.083993196487427 7169,7808,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.69934726,ISDB,URPBIQPJABGDJD-SESVDKBCSA-N,"InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]12,C21H28O3,,328.203844756,URPBIQPJABGDJD,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Mikania triangularis,7051529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania triangularis'],3,2,6.797389030456543 7170,7807,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49293128,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.471725106239319 7171,7807,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49293128,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.471725106239319 7172,7807,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49293128,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.471725106239319 7173,7807,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49293128,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.471725106239319 7174,7807,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49293128,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.471725106239319 7175,7806,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1proton,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 7176,7804,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.762904,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.551615953445435 7177,7804,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.762904,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.551615953445435 7178,7804,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.762904,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.551615953445435 7179,7804,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.762904,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.551615953445435 7180,7804,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.762904,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.551615953445435 7181,7802,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1sodium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 7182,7801,-1,,,,0.2774732,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.109892845153809 7183,7798,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.45018813,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.300752520561218 7184,7796,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777814,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.771112561225891 7185,7796,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31777814,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.771112561225891 7186,7795,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5303673,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.621469259262085 7187,7793,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3407657,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.863062858581543 7188,7792,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5065786,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.526314496994019 7189,7792,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5065786,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.526314496994019 7190,7789,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50137436,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.505497455596924 7191,7785,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5415086,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.666034460067749 7192,7784,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51220053,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.548802137374878 7193,7784,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51220053,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.548802137374878 7194,7781,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.71362436,ISDB,,,,,,,WCMSFBRREKZZFL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8544974327087402 7195,7777,958,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.36978215,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,3,6.97912859916687 7196,7777,958,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.36978215,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,3,6.97912859916687 7197,7776,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5910105,ISDB,VQMRYJZWLGXFLR-UHFFFAOYSA-N,"InChI=1S/C8H10O4/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4,9-10H,1-2H3",COc1cc(O)c(OC)c(O)c1,C8H10O4,,170.0579088,VQMRYJZWLGXFLR,Shikimates and Phenylpropanoids,,,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,1,6.864042043685913 7198,7775,2478,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.53704417,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,0,5.148176670074463 7199,7774,-1,,,,0.71386415,ISDB,ULBUZQCZJCHRBN-WLKARGNXSA-N,"InChI=1S/C23H33NO2/c1-13-11-24-12-15-6-4-14-5-7-17-18(21(25)26-3)10-23(19(14)17)20(24)16(13)8-9-22(15,23)2/h13,15-18,20H,4-12H2,1-3H3/t13-,15+,16+,17-,18+,20-,22-,23+/m1/s1",COC(=O)[C@H]1C[C@@]23C4=C(CC[C@H]5CN6C[C@@H](C)[C@H](CC[C@]52C)[C@@H]63)CC[C@@H]41,C23H33NO2,,355.251129296,ULBUZQCZJCHRBN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum majus,6043916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum majus'],4,0,6.855456590652466 7200,7774,-1,,,,0.71386415,ISDB,ULBUZQCZJCHRBN-WLKARGNXSA-N,"InChI=1S/C23H33NO2/c1-13-11-24-12-15-6-4-14-5-7-17-18(21(25)26-3)10-23(19(14)17)20(24)16(13)8-9-22(15,23)2/h13,15-18,20H,4-12H2,1-3H3/t13-,15+,16+,17-,18+,20-,22-,23+/m1/s1",COC(=O)[C@H]1C[C@@]23C4=C(CC[C@H]5CN6C[C@@H](C)[C@H](CC[C@]52C)[C@@H]63)CC[C@@H]41,C23H33NO2,,355.251129296,ULBUZQCZJCHRBN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum yunnanense,6043916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum majus'],4,0,6.855456590652466 7201,7773,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_3_1proton2sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 7202,7773,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_3_1proton2sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 7203,7770,2725,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.5020339,ISDB,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.508135557174683 7204,7769,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5553419,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.721367597579956 7205,7769,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5553419,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.721367597579956 7206,7769,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5553419,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.721367597579956 7207,7766,-1,,,,0.56562597,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,9.262503862380981 7208,7765,-1,,,,0.65761936,ISDB,BFCPRIFFJUHFAD-UHFFFAOYSA-N,"InChI=1S/C14H24N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",O=C(NC1CCCCC1)C(=O)NC1CCCCC1,C14H24N2O2,,252.183778008,BFCPRIFFJUHFAD,,,,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],3,0,5.630477428436279 7209,7763,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.748226,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9929039478302 7210,7762,2037,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5084343,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.533737182617188 7211,7761,1643,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.6886412,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],3,0,5.7545647621154785 7212,7761,1643,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.6886412,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],3,0,5.7545647621154785 7213,7759,188,Terpenoids,Diterpenoids,Quinolizidine alkaloids,0.69395626,ISDB,ZRWYJLKDVMFVOU-HWDJUHOGSA-N,"InChI=1S/C19H24O2/c1-12-14-5-8-18-9-13(19(10-18)11-21-19)3-4-16(18)17(14,2)7-6-15(12)20/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3/t13-,16+,17-,18+,19-/m1/s1",CC1=C2C=C[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CCC1=O)[C@]1(CO1)C4,C19H24O2,,284.177630008,ZRWYJLKDVMFVOU,Terpenoids,Diterpenoids,,Athrixia phylicoides,468782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Athrixia'],['Athrixia phylicoides'],3,2,6.775825023651123 7214,7758,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.53164625,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.626585006713867 7215,7758,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.53164625,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.626585006713867 7216,7758,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.53164625,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.626585006713867 7217,7758,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.53164625,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.626585006713867 7218,7758,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.53164625,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.626585006713867 7219,7755,1653,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.60875106,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,3,7.935004234313965 7220,7753,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30565134,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],5,3,7.722605347633362 7221,7753,2690,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30565134,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],5,3,7.722605347633362 7222,7750,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7425412,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.470164775848389 7223,7750,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7425412,ISDB,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.470164775848389 7224,7749,-1,,,,0.49078017,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,8.963120698928833 7225,7748,-1,,,,0.67994684,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.719787359237671 7226,7745,-1,,,,0.24400237,ISDB,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.976009488105774 7227,7744,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7395435,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.458173990249634 7228,7744,78,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7395435,ISDB,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.458173990249634 7229,7742,2293,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6128397,ISDB,NDQLMJUZGMIQEF-AXKGJEKQSA-N,"InChI=1S/C29H44O4/c1-17-18-9-12-28(6)21(26(18,4)11-10-20(17)30)8-7-19-22-23(31)25(2,3)13-15-29(22,24(32)33)16-14-27(19,28)5/h7,17-18,21-23,31H,8-16H2,1-6H3,(H,32,33)/t17-,18-,21+,22+,23-,26-,27+,28+,29-/m0/s1",C[C@@H]1C(=O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@H](O)C(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C29H44O4,,456.323959888,NDQLMJUZGMIQEF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Quercus aliena,429770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus aliena'],5,3,8.951358795166016 7230,7741,2293,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.39395583,ISDB,WOUUSXJIFCWUAA-YSXWPCEOSA-N,"InChI=1S/C29H42O3/c1-18-8-11-22(30)29(24(31)32)17-16-27(5)19(23(18)29)9-10-21-26(4)14-7-13-25(2,3)20(26)12-15-28(21,27)6/h8,10,19-20,23H,7,9,11-17H2,1-6H3,(H,31,32)/t19-,20+,23+,26+,27-,28-,29-/m1/s1",CC1=CCC(=O)[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C29H42O3,,438.313395204,WOUUSXJIFCWUAA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Kalanchoe pinnata,726046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe pinnata'],4,3,7.0758233070373535 7231,7740,-1,,,,0.6018429,ISDB,GQRUHVMVWNKUFW-LWYYNNOASA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,9.407371520996094 7232,7739,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_2MCH3CNNa,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 7233,7739,-1,,,,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_2MCH3CNNa,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 7234,7738,-1,,,,0.6522443,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,0,5.608977317810059 7235,7738,-1,,,,0.6522443,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,0,5.608977317810059 7236,7738,-1,,,,0.6522443,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,0,5.608977317810059 7237,7738,-1,,,,0.6522443,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,0,5.608977317810059 7238,7738,-1,,,,0.6522443,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,0,5.608977317810059 7239,7737,561,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.32500553,ISDB,IESHQCNZSICVDD-FCMAGTKHSA-N,"InChI=1S/C23H30N2O3/c26-22-8-4-7-20-17-12-18(15-25(20)22)21-13-19(9-10-24(21)14-17)28-23(27)11-16-5-2-1-3-6-16/h1-3,5-6,17-21H,4,7-15H2/t17-,18-,19-,20+,21-/m0/s1",O=C(Cc1ccccc1)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H30N2O3,,382.22564282,IESHQCNZSICVDD,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,5.800022125244141 7240,7736,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.59474593,ISDB,DFYHVSRWEQLWAJ-HTOAHKCRSA-N,"InChI=1S/C15H24N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h10-14,18H,1-9H2/t10-,11+,12+,13-,14+/m1/s1",O=C1[C@H]2C[C@H](CN3CCCC[C@H]23)[C@@H]2CCC[C@H](O)N12,C15H24N2O2,,264.183778008,DFYHVSRWEQLWAJ,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Pinus hartwegii,212471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus hartwegii'],5,3,8.878983736038208 7241,7733,1853,Terpenoids,Triterpenoids,Glutinane triterpenoids,0.6195444,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,3,9.978177547454834 7242,7732,1512,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,IACKKVBKKNJZGN-UHFFFAOYSA-N,"InChI=1S/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3",CCCCCCCCCCCCCCCCCCCCCCCCCO,C25H52O,pos_1_1potassium,368.401816284,IACKKVBKKNJZGN,Fatty acids,Fatty acyls,Fatty alcohols,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 7243,7731,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.31834894,ISDB,,,,,,,RWCGOBNMLTZQCC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2733957767486572 7244,7730,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.68570244,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,3,11.242809772491455 7245,7730,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.68570244,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,11.242809772491455 7246,7730,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.68570244,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,11.242809772491455 7247,7730,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.68570244,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,11.242809772491455 7248,7729,-1,,,,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1sodium,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 7249,7727,-1,,,,0.0,MS1_match,ZORBIEXXHYHNFM-DZDVKVCLSA-N,"InChI=1S/C32H50O5/c1-19(33)37-22-18-31(8)23(29(6)12-11-24(34)28(4,5)25(22)29)10-9-20-21-17-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h9,21-25,34H,10-18H2,1-8H3,(H,35,36)/t21-,22+,23-,24+,25+,29-,30-,31-,32+/m1/s1",CC(=O)O[C@H]1C[C@]2(C)[C@H](CC=C3[C@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]32C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]12,C32H50O5,pos_1_1proton,514.3658247,ZORBIEXXHYHNFM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula utilis,922610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula utilis'],7,0,7.0 7250,7727,-1,,,,0.0,MS1_match,SFSFDBPTPLSWRM-KXNUYETHSA-N,"InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O5,pos_1_1proton,514.3658247,SFSFDBPTPLSWRM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 7251,7726,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32291678,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.791667103767395 7252,7724,1467,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.44736245,ISDB,FTUIOVKKLXDJFM-RXUPFVKUSA-N,"InChI=1S/C25H38O5/c1-22(2)10-5-11-23(3)16(22)9-13-25-14-24(12-8-17(23)25,20-21(25)30-20)15-29-19(27)7-6-18(26)28-4/h16-17,20-21H,5-15H2,1-4H3/t16-,17+,20+,21-,23-,24+,25+/m1/s1",COC(=O)CCC(=O)OC[C@]12CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@@]3(C1)[C@@H]1O[C@@H]12,C25H38O5,,418.271924316,FTUIOVKKLXDJFM,Terpenoids,Diterpenoids,Beyerane diterpenoids,Polycalymma stuartii,1076957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Polycalymma'],['Polycalymma stuartii'],3,3,6.2894498109817505 7253,7723,-1,,,,0.650955,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,8.603820085525513 7254,7723,-1,,,,0.650955,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,8.603820085525513 7255,7722,-1,,,,0.78157264,ISDB,UEAPOVJEVUNJHK-PWSUYJOCSA-N,"InChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4,6,8,10,12H,5,7H2,1-3H3/t10-,12+/m1/s1",CC1=CC[C@@H]2C(=C1)c1c(C)coc1C[C@H]2C,C15H18O,,214.135765196,UEAPOVJEVUNJHK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],3,0,6.126290559768677 7256,7720,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.68368864,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7347545623779297 7257,7719,256,Fatty acids,Fatty amides,Primary amides,0.8011368,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.70454716682434 7258,7718,1467,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5110881,ISDB,FTUIOVKKLXDJFM-RXUPFVKUSA-N,"InChI=1S/C25H38O5/c1-22(2)10-5-11-23(3)16(22)9-13-25-14-24(12-8-17(23)25,20-21(25)30-20)15-29-19(27)7-6-18(26)28-4/h16-17,20-21H,5-15H2,1-4H3/t16-,17+,20+,21-,23-,24+,25+/m1/s1",COC(=O)CCC(=O)OC[C@]12CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@@]3(C1)[C@@H]1O[C@@H]12,C25H38O5,,418.271924316,FTUIOVKKLXDJFM,Terpenoids,Diterpenoids,Beyerane diterpenoids,Polycalymma stuartii,1076957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Polycalymma'],['Polycalymma stuartii'],3,3,6.544352293014526 7259,7717,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5019709,ISDB,SGSLKSWEAHEFTA-PKWIELLASA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)/t16-,17-,18+,21-,22-,23+,24-/m1/s1",C[C@@]12C=C[C@@]3(C1)[C@H](CC2)[C@]1(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@@H]3O,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Rhodanthe floribunda,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.507883548736572 7260,7717,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5019709,ISDB,SGSLKSWEAHEFTA-UHFFFAOYSA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)",CC12C=CC3(C1)C(O)CC1C(C)(COC(=O)CCC(=O)O)CCCC1(C)C3CC2,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helipterum floribundum,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.507883548736572 7261,7715,-1,,,,0.6408721,ISDB,IZWBODJDDBCDFA-DXEZAUPJSA-N,"InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,27+,28+,29-,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,,470.339609952,IZWBODJDDBCDFA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.563488483428955 7262,7713,256,Fatty acids,Fatty amides,Primary amides,0.8087077,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.734830856323242 7263,7711,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.64178467,ISDB,LAEIZWJAQRGPDA-BURFUSLBSA-N,"InChI=1S/C18H30O/c1-13-7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)19-13/h7,14-15H,6,8-12H2,1-5H3/t14-,15+,17+,18+/m0/s1",CC1=CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1,C18H30O,,262.22966558,LAEIZWJAQRGPDA,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.067138671875 7264,7709,1453,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.58906305,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.856252193450928 7265,7707,-1,,,,0.0,MS1_match,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,pos_1_1proton1ammonium,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 7266,7707,-1,,,,0.0,MS1_match,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,pos_1_1proton1ammonium,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 7267,7707,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1acetonitrile,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 7268,7706,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43848565,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.253942608833313 7269,7706,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43848565,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.253942608833313 7270,7706,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43848565,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.253942608833313 7271,7706,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43848565,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.253942608833313 7272,7706,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43848565,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.253942608833313 7273,7705,256,Fatty acids,Fatty amides,Primary amides,0.7899856,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.659942388534546 7274,7704,-1,,,,0.0,MS1_match,BWDCJRUCCWZCIY-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3",CC=Cc1ccc(OC)c(OC)c1OC,C12H16O3,pos_2MNa,208.109944372,BWDCJRUCCWZCIY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,0,7.0 7275,7703,-1,,,,0.5342497,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,5.136998891830444 7276,7701,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8357752,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.843100786209106 7277,7700,-1,,,,0.6494933,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,5.597973108291626 7278,7697,1747,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FMPIEMVVEJGMCY-UHFFFAOYSA-N,"InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3",C=C1C(OC(C)=O)CCC2(C)CC(OC(C)=O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)C,C31H46O9,pos_1_1proton1ethylamine,562.3141830519999,FMPIEMVVEJGMCY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 7279,7697,1747,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FMPIEMVVEJGMCY-UHFFFAOYSA-N,"InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3",C=C1C(OC(C)=O)CCC2(C)CC(OC(C)=O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)C,C31H46O9,pos_1_1proton1ethylamine,562.3141830519999,FMPIEMVVEJGMCY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 7280,7694,200,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.62148,ISDB,FJJQNQUIZRSMKR-SQCYTPTNSA-N,"InChI=1S/C29H48O4/c1-24(2)10-12-28(16-24)13-11-26(4)19(14-28)6-7-21-25(3)15-20(32)23(33)29(17-30,18-31)22(25)8-9-27(21,26)5/h6,20-23,30-33H,7-18H2,1-5H3/t20-,21-,22-,23+,25-,26-,27-,28-/m1/s1",CC1(C)CC[C@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)C2)C1,C29H48O4,,460.355260016,FJJQNQUIZRSMKR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phlomoides umbrosa,7054124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomoides'],['Phlomoides umbrosa'],3,3,6.985919952392578 7281,7688,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7648864,ISDB,CTILMUMVHPOCNU-JTQLQIEISA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,2,8.059545516967773 7282,7688,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7648864,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena glaberrima,7603033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena glaberrima'],4,2,8.059545516967773 7283,7688,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7648864,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,2,8.059545516967773 7284,7688,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7648864,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis ulicina,7600236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis ulicina'],4,2,8.059545516967773 7285,7688,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7648864,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena,692383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Unknown'],4,2,8.059545516967773 7286,7688,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7648864,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eutrochium fistulosum,681437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eutrochium'],['Eutrochium fistulosum'],4,2,8.059545516967773 7287,7687,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6900036,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,11.260014295578003 7288,7687,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6900036,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,11.260014295578003 7289,7685,-1,,,,0.0,MS1_match,FMPIEMVVEJGMCY-UHFFFAOYSA-N,"InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3",C=C1C(OC(C)=O)CCC2(C)CC(OC(C)=O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)C,C31H46O9,pos_1_1potassium,562.3141830519999,FMPIEMVVEJGMCY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 7290,7685,-1,,,,0.0,MS1_match,FMPIEMVVEJGMCY-UHFFFAOYSA-N,"InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3",C=C1C(OC(C)=O)CCC2(C)CC(OC(C)=O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)C,C31H46O9,pos_1_1potassium,562.3141830519999,FMPIEMVVEJGMCY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 7291,7684,-1,,,,0.0,MS1_match,FMPIEMVVEJGMCY-UHFFFAOYSA-N,"InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3",C=C1C(OC(C)=O)CCC2(C)CC(OC(C)=O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)C,C31H46O9,pos_1_1sodium,562.3141830519999,FMPIEMVVEJGMCY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 7292,7684,-1,,,,0.0,MS1_match,FMPIEMVVEJGMCY-UHFFFAOYSA-N,"InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3",C=C1C(OC(C)=O)CCC2(C)CC(OC(C)=O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)C,C31H46O9,pos_1_1sodium,562.3141830519999,FMPIEMVVEJGMCY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 7293,7683,1747,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FMPIEMVVEJGMCY-UHFFFAOYSA-N,"InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3",C=C1C(OC(C)=O)CCC2(C)CC(OC(C)=O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)C,C31H46O9,pos_1_1proton1ammonium,562.3141830519999,FMPIEMVVEJGMCY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 7294,7683,1747,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FMPIEMVVEJGMCY-UHFFFAOYSA-N,"InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3",C=C1C(OC(C)=O)CCC2(C)CC(OC(C)=O)C3=C(C)CC(OC(=O)C(C)C(C)O)C(C(OC(C)=O)C12)C3(C)C,C31H46O9,pos_1_1proton1ammonium,562.3141830519999,FMPIEMVVEJGMCY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 7295,7682,-1,,,,0.5684191,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,9.27367639541626 7296,7681,-1,,,,0.34563455,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,7.382538199424744 7297,7679,-1,,,,0.3538706,ISDB,LTWXXIIYQUHZIH-PWJDEQPXSA-N,"InChI=1S/C26H37NO5/c1-6-30-23-24(5)9-7-10-26(14-27-23)19-12-18-8-11-25(19,13-15(18)2)22(32-17(4)29)20(21(24)26)31-16(3)28/h14,18-23H,2,6-13H2,1,3-5H3/t18-,19+,20-,21+,22+,23-,24+,25+,26+/m0/s1",C=C1C[C@]23CC[C@H]1C[C@H]2[C@]12C=N[C@@H](OCC)[C@](C)(CCC1)[C@H]2[C@H](OC(C)=O)[C@H]3OC(C)=O,C26H37NO5,,443.267173284,LTWXXIIYQUHZIH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],3,0,4.415482401847839 7298,7678,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33074063,ISDB,LBHNBCSSFWFWIR-OSTWSGHESA-N,"InChI=1S/C21H30O5/c1-13(2)20-9-10-21(26-25-20)14(12-20)15(22)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h12-13,16H,6-11H2,1-5H3/t16-,18+,19-,20+,21-/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3,C21H30O5,,362.20932406,LBHNBCSSFWFWIR,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.822962522506714 7299,7677,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.66464937,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.158597469329834 7300,7677,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.66464937,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.158597469329834 7301,7675,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4607659,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.343063592910767 7302,7674,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.4760829,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.40433156490326 7303,7673,2544,Terpenoids,Diterpenoids,Abietane diterpenoids,0.22436385,ISDB,FROPMOMNKVVLHR-UHFFFAOYSA-N,"InChI=1S/C19H26O3/c1-10(2)12-8-13-15(20)9-14-11(6-5-7-19(14,3)4)16(13)18(22)17(12)21/h8,10-11,14,21-22H,5-7,9H2,1-4H3",CC(C)c1cc2c(c(O)c1O)C1CCCC(C)(C)C1CC2=O,C19H26O3,,302.188194692,FROPMOMNKVVLHR,Terpenoids,Diterpenoids,Abietane diterpenoids,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],3,3,5.397455394268036 7304,7672,384,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5823507,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.829402685165405 7305,7671,-1,,,,0.5750974,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,10.300389528274536 7306,7669,227,Fatty acids,Diterpenoids,Fatty alcohols,0.23509584,ISDB,RBLSXVITVQCZSU-SQFBREILSA-N,"InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17-,18+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CCO,C21H36O3,,336.266445012,RBLSXVITVQCZSU,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,2,8.94038337469101 7307,7669,227,Fatty acids,Diterpenoids,Fatty alcohols,0.23509584,ISDB,RBLSXVITVQCZSU-SQFBREILSA-N,"InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17-,18+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CCO,C21H36O3,,336.266445012,RBLSXVITVQCZSU,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Juniperus communis var. communis,869358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,2,8.94038337469101 7308,7666,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RRXYKLNOTDQWHQ-NYZVHOIDSA-N,"InChI=1S/C38H46O13/c1-20-28(51-30(44)15-14-25-12-10-9-11-13-25)16-26(18-46-21(2)39)36(7)31(20)32(48-22(3)40)27-17-29(43)37(8)38(45,35(27,6)19-47-37)34(50-24(5)42)33(36)49-23(4)41/h9-15,26-28,31-34,45H,1,16-19H2,2-8H3/b15-14+/t26-,27+,28+,31+,32-,33+,34+,35+,36-,37-,38+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](COC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C38H46O13,pos_1_1proton1acetonitrile,710.293841532,RRXYKLNOTDQWHQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 7309,7664,-1,,,,0.74060756,ISDB,BFCPRIFFJUHFAD-UHFFFAOYSA-N,"InChI=1S/C14H24N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",O=C(NC1CCCCC1)C(=O)NC1CCCCC1,C14H24N2O2,,252.183778008,BFCPRIFFJUHFAD,,,,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],3,0,5.962430238723755 7310,7663,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.47230843,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.389233708381653 7311,7663,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.47230843,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.389233708381653 7312,7662,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.2348033,ISDB,QINXJSIKYUBGSE-WCGIQSCQSA-N,"InChI=1S/C19H28O4/c1-10-11-5-6-13-18(4)12(7-8-19(13,9-11)14(10)20)17(2,3)15(21)23-16(18)22/h11-14,16,20,22H,1,5-9H2,2-4H3/t11-,12?,13?,14+,16-,18-,19-/m1/s1",C=C1[C@@H]2CCC3[C@@](CCC4C(C)(C)C(=O)O[C@@H](O)[C@]43C)(C2)[C@H]1O,C19H28O4,,320.198759376,QINXJSIKYUBGSE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],3,3,5.439213216304779 7313,7661,2959,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60722286,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.92889142036438 7314,7660,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8013693,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.705477237701416 7315,7657,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.718247,ISDB,NLBIJGCDYLISQQ-KJEVXHAQSA-N,"InChI=1S/C15H22O/c1-9(2)11-5-13-14(3,8-12(11)16)6-10-7-15(10,13)4/h10,13H,5-8H2,1-4H3/t10-,13+,14+,15+/m1/s1",CC(C)=C1C[C@H]2[C@](C)(CC1=O)C[C@@H]1C[C@@]12C,C15H22O,,218.167065324,NLBIJGCDYLISQQ,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Platycarya strobilacea,264610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Platycarya'],['Platycarya strobilacea'],5,2,8.872987985610962 7316,7655,-1,,,,0.5023896,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,5.009558439254761 7317,7654,-1,,,,0.53330976,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.133239030838013 7318,7654,-1,,,,0.53330976,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,9.133239030838013 7319,7654,-1,,,,0.53330976,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,9.133239030838013 7320,7654,-1,,,,0.53330976,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,9.133239030838013 7321,7654,-1,,,,0.53330976,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,9.133239030838013 7322,7653,-1,,,,0.6130822,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,6.452328681945801 7323,7652,1234,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.724002,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.396008014678955 7324,7652,1234,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.724002,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.396008014678955 7325,7651,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.79273903,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.170956134796143 7326,7651,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.79273903,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.170956134796143 7327,7650,-1,,,,0.5998252,ISDB,FBZSMLWLLPEEKP-WFASDCNBSA-N,"InChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12H,6-10H2,1-4H3/t12-,15-/m0/s1",CC1=CC[C@H]([C@]2(C)CC(=O)CC(C)(C)O2)CC1,C15H24O2,,236.177630008,FBZSMLWLLPEEKP,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,0,7.399300813674927 7328,7648,5,Terpenoids,Diterpenoids,Labdane diterpenoids,0.2946539,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.678615570068359 7329,7644,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.74836767,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,2,10.993470668792725 7330,7641,256,Fatty acids,Fatty amides,Primary amides,0.79054576,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.662183046340942 7331,7640,-1,,,,0.5138016,ISDB,LHKQQWKOWNPPSN-SLKIMHQUSA-N,"InChI=1S/C24H34O6/c1-13(25)29-12-24(20(27)28)17-5-8-23-10-16-15(22(16,4)11-23)9-18(23)21(17,3)7-6-19(24)30-14(2)26/h15-19H,5-12H2,1-4H3,(H,27,28)/t15-,16+,17-,18-,19+,21+,22-,23+,24-/m0/s1",CC(=O)OC[C@@]1(C(=O)O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]3C[C@H]4[C@H]5C[C@]3(CC[C@@H]21)C[C@]54C,C24H34O6,,418.235538808,LHKQQWKOWNPPSN,Terpenoids,Diterpenoids,Trachylobane diterpenoids,Jungermannia exsertifolia,94623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Jungermanniaceae'],['Unknown'],['Jungermannia'],['Jungermannia exsertifolia'],3,0,5.055206298828125 7332,7638,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66435856,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.1574342250823975 7333,7638,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66435856,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.1574342250823975 7334,7638,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66435856,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.1574342250823975 7335,7638,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66435856,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.1574342250823975 7336,7638,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66435856,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.1574342250823975 7337,7637,-1,,,,0.5218361,ISDB,WPUCUNRZJYWEQQ-SGTPALIHSA-N,"InChI=1S/C37H54O10/c1-18-13-37(30-34(7,47-30)17-43-37)46-21-14-33(6)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)12-25(44-19(2)38)36(22)16-35(23,36)11-10-32(33,5)26(18)21/h9,18,20-22,24-30,39-41H,8,10-17H2,1-7H3/t18-,20-,21+,22+,24+,25-,26+,27+,28-,29+,30-,32-,33+,34-,35+,36-,37+/m1/s1",CC(=O)O[C@@H]1C[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]2CC=C3[C@]4(CC[C@]5(C)[C@H]6[C@H](C)C[C@]7(OC[C@@]8(C)O[C@@H]78)O[C@H]6C[C@@]35C)C[C@]124,C37H54O10,,658.371697928,WPUCUNRZJYWEQQ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,0,6.087344408035278 7338,7637,-1,,,,0.5218361,ISDB,WPUCUNRZJYWEQQ-SGTPALIHSA-N,"InChI=1S/C37H54O10/c1-18-13-37(30-34(7,47-30)17-43-37)46-21-14-33(6)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)12-25(44-19(2)38)36(22)16-35(23,36)11-10-32(33,5)26(18)21/h9,18,20-22,24-30,39-41H,8,10-17H2,1-7H3/t18-,20-,21+,22+,24+,25-,26+,27+,28-,29+,30-,32-,33+,34-,35+,36-,37+/m1/s1",CC(=O)O[C@@H]1C[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]2CC=C3[C@]4(CC[C@]5(C)[C@H]6[C@H](C)C[C@]7(OC[C@@]8(C)O[C@@H]78)O[C@H]6C[C@@]35C)C[C@]124,C37H54O10,,658.371697928,WPUCUNRZJYWEQQ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],4,0,6.087344408035278 7339,7636,5,Terpenoids,Diterpenoids,Labdane diterpenoids,0.34039983,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.861599326133728 7340,7634,-1,,,,0.46407697,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,8.856307864189148 7341,7633,241,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.62497324,ISDB,LHKHAPJGLACMSP-RRLJDEBGSA-N,"InChI=1S/C28H36O8/c1-15-12-20(32-16(2)29)24(33-17(3)30)27(6)21(13-19-14-28(15,27)36-26(19,4)5)34-25(31)23-22(35-23)18-10-8-7-9-11-18/h7-11,15,19-24H,12-14H2,1-6H3/t15-,19-,20+,21+,22-,23+,24+,27-,28+/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)[C@H]4O[C@@H]4c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)C(C)(C)O3,C28H36O8,,500.241018112,LHKHAPJGLACMSP,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus gemmata,853297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus gemmatus'],3,3,6.999892950057983 7342,7633,241,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.62497324,ISDB,LHKHAPJGLACMSP-RRLJDEBGSA-N,"InChI=1S/C28H36O8/c1-15-12-20(32-16(2)29)24(33-17(3)30)27(6)21(13-19-14-28(15,27)36-26(19,4)5)34-25(31)23-22(35-23)18-10-8-7-9-11-18/h7-11,15,19-24H,12-14H2,1-6H3/t15-,19-,20+,21+,22-,23+,24+,27-,28+/m1/s1",CC(=O)O[C@H]1C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)[C@H]4O[C@@H]4c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)C(C)(C)O3,C28H36O8,,500.241018112,LHKHAPJGLACMSP,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus gemmatus,853297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus gemmatus'],3,3,6.999892950057983 7343,7632,-1,,,,0.7081104,ISDB,KSWPMXHTZCMXBJ-SECBINFHSA-N,"InChI=1S/C12H16O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10/h6-9H,3-5H2,1-2H3/t9-/m1/s1",COc1ccc2c(c1)[C@H](C)CCC2,C12H16O,,176.120115132,KSWPMXHTZCMXBJ,,,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],4,0,6.832441568374634 7344,7631,-1,,,,0.6702675,ISDB,SQESYXTWWGWCFK-VIFPVBQESA-N,"InChI=1S/C12H14O/c1-8-3-5-10-9(2)4-6-12(13)11(10)7-8/h3,5,7,9H,4,6H2,1-2H3/t9-/m0/s1",Cc1ccc2c(c1)C(=O)CC[C@@H]2C,C12H14O,,174.104465068,SQESYXTWWGWCFK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,0,6.68107008934021 7345,7630,-1,,,,0.5457778,ISDB,ZFMSMUAANRJZFM-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C=CCc1ccc(OC)cc1,C10H12O,,148.088815004,ZFMSMUAANRJZFM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia salicifolia,863074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia salicifolia'],7,0,9.183111190795898 7346,7630,-1,,,,0.5457778,ISDB,ZFMSMUAANRJZFM-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C=CCc1ccc(OC)cc1,C10H12O,,148.088815004,ZFMSMUAANRJZFM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,9.183111190795898 7347,7629,-1,,,,0.2912371,ISDB,RGIBXDHONMXTLI-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2",C=CCc1ccc(O)cc1,C9H10O,,134.07316494,RGIBXDHONMXTLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,8.164948344230652 7348,7629,-1,,,,0.2912371,ISDB,RGIBXDHONMXTLI-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2",C=CCc1ccc(O)cc1,C9H10O,,134.07316494,RGIBXDHONMXTLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia garrettii,324625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia garrettii'],7,0,8.164948344230652 7349,7629,-1,,,,0.2912371,ISDB,RGIBXDHONMXTLI-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2",C=CCc1ccc(O)cc1,C9H10O,,134.07316494,RGIBXDHONMXTLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,8.164948344230652 7350,7627,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5533607,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.713442802429199 7351,7626,-1,,,,0.34184593,ISDB,NAIMNAZWFGBUDM-YFKPBYRVSA-N,"InChI=1S/C6H12N2O2/c1-10-5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1",CO[C@H]1CCCN1C(N)=O,C6H12N2O2,,144.089877624,NAIMNAZWFGBUDM,Alkaloids,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],5,0,6.367383718490601 7352,7626,-1,,,,0.34184593,ISDB,NAIMNAZWFGBUDM-YFKPBYRVSA-N,"InChI=1S/C6H12N2O2/c1-10-5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1",CO[C@H]1CCCN1C(N)=O,C6H12N2O2,,144.089877624,NAIMNAZWFGBUDM,Alkaloids,,,Piptostigma fugax,3867334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Piptostigma'],['Piptostigma fugax'],5,0,6.367383718490601 7353,7626,-1,,,,0.34184593,ISDB,NAIMNAZWFGBUDM-UHFFFAOYSA-N,"InChI=1S/C6H12N2O2/c1-10-5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)",COC1CCCN1C(N)=O,C6H12N2O2,,144.089877624,NAIMNAZWFGBUDM,Alkaloids,,,Friesodielsia velutina,3867716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Friesodielsia'],['Friesodielsia velutina'],5,0,6.367383718490601 7354,7625,384,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5797381,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.818952322006226 7355,7625,384,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5797381,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.818952322006226 7356,7624,2544,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38719606,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,3,10.048784255981445 7357,7623,-1,,,,0.4815095,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,8.926038026809692 7358,7622,2742,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.45080033,ISDB,QBAITYMIZWFOLG-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,24-5)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)23/h8-9,13,17H,6-7,10-12H2,1-5H3,(H,22,23)/t17-,20-,21-/m1/s1",COC(C)(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C21H30O3,,330.21949482,QBAITYMIZWFOLG,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.30320131778717 7359,7621,-1,,,,0.34770572,ISDB,AOYJXBVIPWAMOG-PKNBQFBNSA-N,"InChI=1S/C10H21NOS/c1-13-10-8-6-4-2-3-5-7-9-11-12/h9,12H,2-8,10H2,1H3/b11-9+",CSCCCCCCCC/C=N/O,C10H21NOS,,203.134385292,AOYJXBVIPWAMOG,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.390822887420654 7360,7620,-1,,,,0.75090057,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0036022663116455 7361,7619,2012,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 7362,7619,2012,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,7.5 7363,7619,2012,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,3,7.5 7364,7618,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31436166,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.757446646690369 7365,7618,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31436166,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.757446646690369 7366,7616,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1proton1ammonium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 7367,7616,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1proton1ammonium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 7368,7615,-1,,,,0.71590555,ISDB,OXKJXQWUKRTLGT-QGZVFWFLSA-N,"InChI=1S/C19H26O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h6,10-12,17,20H,5,7-9H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2,C19H26O,,270.198365452,OXKJXQWUKRTLGT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,0,5.863622188568115 7369,7614,-1,,,,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1potassium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 7370,7614,-1,,,,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1potassium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 7371,7613,1400,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 7372,7613,1400,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 7373,7612,440,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1proton1ammonium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 7374,7612,440,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1proton1ammonium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 7375,7611,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5085565,ISDB,BXCDNFMSWNBZGR-PKIGEZQHSA-N,"InChI=1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22+,23-,24+,27+,30+,31-,32-,33+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C33H50O6,,542.36073932,BXCDNFMSWNBZGR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,2,7.034225940704346 7376,7610,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8059544,ISDB,UGVIZCBJCSXBCJ-JWFUOXDNSA-N,"InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1",C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H22O,,218.167065324,UGVIZCBJCSXBCJ,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,2,10.223817586898804 7377,7607,-1,,,,0.0,MS1_match,SLQHZBXUSQZYTB-VJZGPKJVSA-N,"InChI=1S/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)28(45)22(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)27(44)21(43)19-51-33/h8,21-34,42-49H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C41H66O13,pos_1_1potassium,766.450342172,SLQHZBXUSQZYTB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7378,7607,-1,,,,0.0,MS1_match,SLQHZBXUSQZYTB-VJZGPKJVSA-N,"InChI=1S/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)28(45)22(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)27(44)21(43)19-51-33/h8,21-34,42-49H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C41H66O13,pos_1_1potassium,766.450342172,SLQHZBXUSQZYTB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7379,7607,-1,,,,0.0,MS1_match,AUXMXXIOBYHUTL-LWGJBNQRSA-N,"InChI=1S/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)27(44)21(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)28(45)22(19-43)51-33/h8,21-34,42-49H,9-19H2,1-7H3/t21-,22-,23+,24-,25+,26-,27-,28-,29+,30+,31-,32+,33-,34+,38+,39-,40-,41+/m1/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C41H66O13,pos_1_1potassium,766.450342172,AUXMXXIOBYHUTL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7380,7607,-1,,,,0.0,MS1_match,WCHBFWOEFOZHMK-MLHVESHNSA-N,"InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C41H66O13,pos_1_1potassium,766.450342172,WCHBFWOEFOZHMK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7381,7607,-1,,,,0.0,MS1_match,WCHBFWOEFOZHMK-MLHVESHNSA-N,"InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C41H66O13,pos_1_1potassium,766.450342172,WCHBFWOEFOZHMK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 7382,7607,-1,,,,0.0,MS1_match,WCHBFWOEFOZHMK-MLHVESHNSA-N,"InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C41H66O13,pos_1_1potassium,766.450342172,WCHBFWOEFOZHMK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 7383,7607,-1,,,,0.0,MS1_match,WCHBFWOEFOZHMK-MLHVESHNSA-N,"InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C41H66O13,pos_1_1potassium,766.450342172,WCHBFWOEFOZHMK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7384,7607,-1,,,,0.0,MS1_match,WCHBFWOEFOZHMK-MLHVESHNSA-N,"InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C41H66O13,pos_1_1potassium,766.450342172,WCHBFWOEFOZHMK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 7385,7607,-1,,,,0.0,MS1_match,WCHBFWOEFOZHMK-MLHVESHNSA-N,"InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C41H66O13,pos_1_1potassium,766.450342172,WCHBFWOEFOZHMK,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 7386,7607,-1,,,,0.0,MS1_match,WRUJXRNNKKRLRE-KTVMGGPHSA-N,"InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)27(44)22(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)28(45)23(19-43)51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,37+,38-,39-,40-,41+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C41H66O13,pos_1_1potassium,766.450342172,WRUJXRNNKKRLRE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7387,7607,-1,,,,0.0,MS1_match,UCVNVSOIAFGLPL-UUWFFIQNSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(50)54-34-32(49)30(47)29(46)24(18-42)52-34)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(53-33-31(48)28(45)23(44)19-51-33)38(4,20-43)25(37)9-12-40(26,39)6/h7,22-34,42-49H,8-20H2,1-6H3/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,pos_1_1potassium,766.4503421720001,UCVNVSOIAFGLPL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7388,7607,-1,,,,0.0,MS1_match,UCVNVSOIAFGLPL-UUWFFIQNSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(50)54-34-32(49)30(47)29(46)24(18-42)52-34)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(53-33-31(48)28(45)23(44)19-51-33)38(4,20-43)25(37)9-12-40(26,39)6/h7,22-34,42-49H,8-20H2,1-6H3/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,pos_1_1potassium,766.4503421720001,UCVNVSOIAFGLPL,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7389,7607,-1,,,,0.0,MS1_match,DZYGTMKYVPTEKK-KHWRUWEJSA-N,"InChI=1S/C41H66O13/c1-36(2)13-15-41(35(50)54-34-32(49)30(47)28(45)23(18-42)52-34)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(53-33-31(48)29(46)24(19-43)51-33)38(4,20-44)25(37)9-12-40(26,39)6/h7,22-34,42-49H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,37-,38-,39+,40+,41-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C41H66O13,pos_1_1potassium,766.450342172,DZYGTMKYVPTEKK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 7390,7605,351,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_2MNa,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 7391,7605,351,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_2MNa,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 7392,7604,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7182012,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,2,11.872804880142212 7393,7603,1533,Terpenoids,Diterpenoids,Labdane diterpenoids,0.32011896,ISDB,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,8.780475854873657 7394,7602,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2850712,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia celebica,729746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia celebica'],4,3,6.640284776687622 7395,7602,132,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2850712,ISDB,PCJOGINZIKUMKI-RLDJTXPHSA-N,"InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26-,27-,28-,31-,32-,33-/m1/s1",COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1,C33H48O5,,524.350174636,PCJOGINZIKUMKI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Garcinia speciosa,885608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia speciosa'],4,3,6.640284776687622 7396,7600,-1,,,,0.5361501,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.1446003913879395 7397,7600,-1,,,,0.5361501,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,0,5.1446003913879395 7398,7599,-1,,,,0.0,MS1_match,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,pos_2MH,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 7399,7598,-1,,,,0.53163844,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.126553773880005 7400,7598,-1,,,,0.53163844,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,0,5.126553773880005 7401,7597,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.65770596,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.130823850631714 7402,7597,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.65770596,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.130823850631714 7403,7596,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76161945,ISDB,JCVVMRFAPQPJBD-UHFFFAOYSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3",CC(C)C1=CC2Oc3ccccc3CC2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longeracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],3,2,7.046477794647217 7404,7596,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76161945,ISDB,JCVVMRFAPQPJBD-IRXDYDNUSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1",CC(C)C1=C[C@@H]2Oc3ccccc3C[C@]2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longiracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],3,2,7.046477794647217 7405,7595,1006,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.4591124,ISDB,USNFPPCRYZXOPG-NZMLZKADSA-N,"InChI=1S/C21H28O5/c1-12-13-5-6-14-20(11-26-18(23)21(14,9-13)16(12)22)8-4-7-19(2)10-25-17(24-3)15(19)20/h13-15,17H,1,4-11H2,2-3H3/t13-,14+,15-,17-,19+,20-,21+/m1/s1",C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@@H](OC)[C@H]21)COC3=O,C21H28O5,,360.1936739959999,USNFPPCRYZXOPG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Isodon rubescens,285439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rubescens'],3,3,6.33644962310791 7406,7594,-1,,,,0.5114806,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,9.04592251777649 7407,7593,1607,Terpenoids,Triterpenoids,Serratane triterpenoids,0.0,MS1_match,VZPCWSKCBLYYSO-WFHLZTHJSA-N,"InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-23H,9-18H2,1-7H3/t20-,21-,22-,23-,28-,29+,30-/m0/s1",CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@H]12,C30H46O2,pos_2MFe,438.349780712,VZPCWSKCBLYYSO,Terpenoids,Triterpenoids,Serratane triterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,3,8.5 7408,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-RBBHKJGASA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4-,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C\C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bellidiastrum michelii,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.412484288215637 7409,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Aster bellidiastrum,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.412484288215637 7410,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Greenmaniella resinosa,400169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Greenmaniella'],['Greenmaniella resinosa'],3,3,6.412484288215637 7411,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia australis,673550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia australis'],3,3,6.412484288215637 7412,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],3,3,6.412484288215637 7413,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pleiotaxis rugosa,996682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Dicomeae'],['Pleiotaxis'],['Pleiotaxis rugosa'],3,3,6.412484288215637 7414,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-GZESPCIDSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4?,15-13+,17-16?",C=CCCCC/C=C/C=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],3,3,6.412484288215637 7415,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.412484288215637 7416,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.412484288215637 7417,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia merckii,404241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia merckii'],3,3,6.412484288215637 7418,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis longula,7602247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis longula'],3,3,6.412484288215637 7419,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis venusta,5794545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis venusta'],3,3,6.412484288215637 7420,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Calea ternifolia,5794515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea ternifolia'],3,3,6.412484288215637 7421,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-NLBXNPPRSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13-,17-16-",C=CCCCC/C=C\C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bidens campylotheca,711728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens campylotheca'],3,3,6.412484288215637 7422,7592,968,Fatty acids,Fatty acyls,Hydrocarbons,0.47812107,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pityopsis graminifolia var. graminifolia,177992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pityopsis'],['Pityopsis graminifolia'],3,3,6.412484288215637 7423,7591,256,Fatty acids,Fatty amides,Primary amides,0.7985225,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.694089889526367 7424,7590,1924,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6239071,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Elaeodendron xylocarpum,806635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron xylocarpum'],4,3,7.995628356933594 7425,7590,1924,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6239071,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Lophopetalum wallichii,6092907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Lophopetalum'],['Lophopetalum wallichii'],4,3,7.995628356933594 7426,7590,1924,Terpenoids,Triterpenoids,Lupane triterpenoids,0.6239071,ISDB,YCZVTFNLKYNKPH-JLHSILEKSA-N,"InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1",C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]3[C@H]12,C30H44O3,,452.329045268,YCZVTFNLKYNKPH,Terpenoids,Triterpenoids,Lupane triterpenoids,Kokoona ochracea,6092883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona ochracea'],4,3,7.995628356933594 7427,7589,256,Fatty acids,Fatty amides,Primary amides,0.7954856,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.681942462921143 7428,7588,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5536743,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.7146971225738525 7429,7587,-1,,,,0.0,MS1_match,AYQPVPFZWIQERS-VOTSOKGWSA-N,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+",CCCCC/C=C/CO,C8H16O,pos_2MCH3CNNa,128.120115132,AYQPVPFZWIQERS,Fatty acids,Fatty acyls,Fatty alcohols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 7430,7587,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-MRVPVSSYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",C=C[C@@H](O)CCCCC,C8H16O,pos_2MCH3CNNa,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 7431,7586,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4700964,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.380385637283325 7432,7585,-1,,,,0.28991178,ISDB,QWEWPBRDYZVGBR-UHFFFAOYSA-N,"InChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3",CCC1CC(O)C(O)C(CO)N1,C8H17NO3,,175.120843404,QWEWPBRDYZVGBR,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Adenophora triphylla var. japonica,526871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Adenophora'],['Adenophora triphylla'],4,0,5.159647107124329 7433,7585,-1,,,,0.28991178,ISDB,QWEWPBRDYZVGBR-WCTZXXKLSA-N,"InChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1",CC[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO)N1,C8H17NO3,,175.120843404,QWEWPBRDYZVGBR,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Adenophora triphylla,817781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Adenophora'],['Adenophora triphylla'],4,0,5.159647107124329 7434,7584,-1,,,,0.0,MS1_match,WDXDAODECHOTPZ-SGIHMVHMSA-N,"InChI=1S/C33H42O3/c1-6-8-22-10-12-28(34)24(18-22)25-19-23(9-7-2)11-13-29(25)36-33-17-15-30(35)32(5,21-33)16-14-26-27(33)20-31(26,3)4/h6-7,10-13,18-19,26-27,30,34-35H,1-2,8-9,14-17,20-21H2,3-5H3/t26-,27+,30+,32+,33-/m1/s1",C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@@]23CC[C@H](O)[C@@](C)(CC[C@@H]4[C@@H]2CC4(C)C)C3)c1,C33H42O3,pos_3_3proton,486.313395204,WDXDAODECHOTPZ,Terpenoids,Sesquiterpenoids,Caryolane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 7435,7584,-1,,,,0.0,MS1_match,YVMBMEXRHOXCPM-IKQHHCORSA-N,"InChI=1S/C33H42O3/c1-6-8-22-10-12-26(34)24(18-22)25-19-23(9-7-2)11-13-27(25)36-30-20-31(3,4)28-14-16-32(5)21-33(28,30)17-15-29(32)35/h6-7,10-13,18-19,28-30,34-35H,1-2,8-9,14-17,20-21H2,3-5H3/t28-,29+,30-,32+,33-/m0/s1",C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@H]2CC(C)(C)[C@@H]3CC[C@]4(C)C[C@]23CC[C@H]4O)c1,C33H42O3,pos_3_3proton,486.313395204,YVMBMEXRHOXCPM,Terpenoids,Sesquiterpenoids,Clovane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 7436,7583,2308,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1methanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 7437,7582,-1,,,,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1sodium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 7438,7582,-1,,,,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1sodium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 7439,7580,-1,,,,0.64020175,ISDB,IZWBODJDDBCDFA-DXEZAUPJSA-N,"InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,27+,28+,29-,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,,470.339609952,IZWBODJDDBCDFA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.5608069896698 7440,7578,-1,,,,0.41841814,ISDB,OEGVTAZVZYUFGW-CRMPFDGHSA-N,"InChI=1S/C21H32O4/c1-13(2)20-9-10-21(25-20)14(15(22)12-20)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h13-14,16H,6-12H2,1-5H3/t14-,16-,18+,19-,20-,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1C[C@H]1C(=O)C[C@]3(C(C)C)CC[C@@]12O3,C21H32O4,,348.230059504,OEGVTAZVZYUFGW,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.673672556877136 7441,7577,-1,,,,0.0,MS1_match,CFEHSRPMKSOGBC-UZEAQAOXSA-N,"InChI=1S/C24H32O6/c1-14-11-23-9-6-17(14)10-18(23)24(13-26)8-5-7-22(4,12-25)20(24)19(29-15(2)27)21(23)30-16(3)28/h12-13,17-21H,1,5-11H2,2-4H3/t17-,18+,19-,20+,21+,22-,23+,24+/m0/s1",C=C1C[C@]23CC[C@H]1C[C@H]2[C@]1(C=O)CCC[C@@](C)(C=O)[C@H]1[C@H](OC(C)=O)[C@H]3OC(C)=O,C24H32O6,pos_2MH,416.219888744,CFEHSRPMKSOGBC,Terpenoids,Diterpenoids,Atisane diterpenoids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 7442,7576,-1,,,,0.70984966,ISDB,DQTNTDDGCXHSBH-FXAWDEMLSA-N,"InChI=1S/C20H28O3/c1-18(2)7-6-8-20(5)13-10-16(22)14(19(3,4)23)9-12(13)15(21)11-17(18)20/h9-10,17,22-23H,6-8,11H2,1-5H3/t17-,20+/m0/s1",CC(C)(O)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O3,,316.203844756,DQTNTDDGCXHSBH,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.839398622512817 7443,7575,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YJIVUMOFAMUXNI-WRXDKEAZSA-N,"InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22-,23+,25+,29-,30+,31+,32-,33+/m1/s1",COC(=O)C[C@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)[C@H]1CC=C1[C@@H]3[C@](C(=O)OC)(CC[C@@H](C)[C@@]3(C)O)CC[C@@]12C,C33H52O7,pos_1_minus1proton1iron,560.371304004,YJIVUMOFAMUXNI,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,7.5 7444,7573,1634,Terpenoids,Monoterpenoids,Pinane monoterpenoids,0.29926676,ISDB,JQKXXCDIJZYTEZ-ZJJGVRJWSA-N,"InChI=1S/C19H22O2/c1-19(2)16-10-9-15(17(19)12-16)13-21-18(20)11-8-14-6-4-3-5-7-14/h3-9,11,16-17H,10,12-13H2,1-2H3/b11-8+/t16-,17-/m1/s1",CC1(C)[C@@H]2CC=C(COC(=O)/C=C/c3ccccc3)[C@H]1C2,C19H22O2,,282.161979944,JQKXXCDIJZYTEZ,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Stevia salicifolia,1079882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia salicifolia'],4,3,6.697067022323608 7445,7571,382,Terpenoids,Diterpenoids,Labdane diterpenoids,0.45581612,ISDB,QRCWTENDAKYOOH-STNIPWKCSA-N,"InChI=1S/C24H36O5/c1-15-12-24-11-8-17-22(2,18(24)5-4-16(15)13-24)10-9-19(25)23(17,3)14-29-21(28)7-6-20(26)27/h16-19,25H,1,4-14H2,2-3H3,(H,26,27)/t16-,17+,18-,19-,22-,23-,24-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@@](C)(COC(=O)CCC(=O)O)[C@H](O)CC[C@@]4(C)[C@H]2CC[C@@H]1C3,C24H36O5,,404.256274252,QRCWTENDAKYOOH,Terpenoids,Diterpenoids,Dolastane diterpenoids,Goodenia ramelii,5746138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Goodeniaceae'],['Unknown'],['Goodenia'],['Goodenia ramelii'],3,2,5.823264479637146 7446,7570,1642,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5011052,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.504420757293701 7447,7569,-1,,,,0.0,MS1_match,LMFYRQDVRPKEPM-YWZLYKJASA-N,"InChI=1S/C20H28O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15,22-23H,6-8,10H2,1-5H3/t15-,20-/m0/s1",CC(C)c1cc(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O3,pos_1_1proton1ethylamine,316.203844756,LMFYRQDVRPKEPM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7448,7569,-1,,,,0.0,MS1_match,GDLRDIDXYBIPFY-YWZLYKJASA-N,"InChI=1S/C20H28O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9,11,15,22-23H,6-8,10H2,1-5H3/t15-,20-/m0/s1",CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O3,pos_1_1proton1ethylamine,316.203844756,GDLRDIDXYBIPFY,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7449,7569,-1,,,,0.0,MS1_match,VQGOEQIXFUUUQP-CMKODMSKSA-N,"InChI=1S/C20H28O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,17-18,21,23H,6-8H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O,C20H28O3,pos_1_1proton1ethylamine,316.203844756,VQGOEQIXFUUUQP,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7450,7569,-1,,,,0.0,MS1_match,WFKAJHXRTWDPAT-AZUAARDMSA-N,"InChI=1S/C20H28O3/c1-13(2)15-9-14(11-21)16(10-17(15)23)20(5)8-6-7-19(3,4)18(20)12-22/h9-13,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O,C20H28O3,pos_1_1proton1ethylamine,316.203844756,WFKAJHXRTWDPAT,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7451,7569,-1,,,,0.0,MS1_match,DQTNTDDGCXHSBH-FXAWDEMLSA-N,"InChI=1S/C20H28O3/c1-18(2)7-6-8-20(5)13-10-16(22)14(19(3,4)23)9-12(13)15(21)11-17(18)20/h9-10,17,22-23H,6-8,11H2,1-5H3/t17-,20+/m0/s1",CC(C)(O)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C20H28O3,pos_1_1proton1ethylamine,316.203844756,DQTNTDDGCXHSBH,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7452,7569,-1,,,,0.0,MS1_match,DMXKXBFFJSYDLG-JAZQRGJZSA-N,"InChI=1S/C20H28O3/c1-11(2)12-8-13-14(9-15(12)21)20(4)7-5-6-19(3)10-23-17(16(13)22)18(19)20/h8-9,11,16-18,21-22H,5-7,10H2,1-4H3/t16-,17+,18+,19+,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@]3(C)CO[C@@H]([C@@H]2O)[C@@H]31,C20H28O3,pos_1_1proton1ethylamine,316.203844756,DMXKXBFFJSYDLG,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7453,7569,-1,,,,0.0,MS1_match,VNEORENRGFLDMN-DSJDWBEOSA-N,"InChI=1S/C20H28O3/c1-11(2)12-10-20-14(9-13(12)21)19(5)8-6-7-18(3,4)16(19)15(22)17(20)23-20/h9-11,15-17,22H,6-8H2,1-5H3/t15-,16+,17-,19-,20+/m1/s1",CC(C)C1=C[C@@]23O[C@@H]2[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=CC1=O,C20H28O3,pos_1_1proton1ethylamine,316.203844756,VNEORENRGFLDMN,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7454,7569,-1,,,,0.0,MS1_match,LMODNMXJBXUOQF-MSJBJCGKSA-N,"InChI=1S/C20H32O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16+,18+,19+,20-/m0/s1",C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O,C20H32O3,pos_1_1proton1acetonitrile,320.235144884,LMODNMXJBXUOQF,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7455,7569,-1,,,,0.0,MS1_match,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,pos_1_1proton1acetonitrile,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7456,7569,-1,,,,0.0,MS1_match,DOYKMKZYLAAOGH-UHFFFAOYSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CCO,C20H32O3,pos_1_1proton1acetonitrile,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7457,7569,-1,,,,0.0,MS1_match,HYXULMWPHCMLGR-BEUFEYIVSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h13-14,16-17H,2,5-12H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC=O,C20H32O3,pos_1_1proton1acetonitrile,320.235144884,HYXULMWPHCMLGR,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7458,7569,-1,,,,0.0,MS1_match,HWYJCPANXFVVGH-MFKWGIFDSA-N,"InChI=1S/C20H32O3/c1-18(14-21)9-4-10-19(2)16(18)7-11-20(3,22)17(19)6-5-15-8-12-23-13-15/h8,12-13,16-17,21-22H,4-7,9-11,14H2,1-3H3/t16-,17+,18+,19-,20+/m0/s1",C[C@]1(CO)CCC[C@]2(C)[C@@H](CCc3ccoc3)[C@](C)(O)CC[C@@H]12,C20H32O3,pos_1_1proton1acetonitrile,320.235144884,HWYJCPANXFVVGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7459,7569,-1,,,,0.0,MS1_match,VYSMXKSBLCBXET-RCZSKKKRSA-N,"InChI=1S/C22H32O3/c1-13(2)15-10-16-17(11-19(15)25-14(3)23)22(6)9-7-8-21(4,5)20(22)12-18(16)24/h10-11,13,18,20,24H,7-9,12H2,1-6H3/t18-,20-,22+/m0/s1",CC(=O)Oc1cc2c(cc1C(C)C)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C22H32O3,pos_1_1proton1ammonium,344.235144884,VYSMXKSBLCBXET,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7460,7569,-1,,,,0.0,MS1_match,XWVGMPJQSWKTJV-BHDDXSALSA-N,"InChI=1S/C22H32O3/c1-14(2)17-11-16-7-8-20-21(4,13-25-15(3)23)9-6-10-22(20,5)18(16)12-19(17)24/h11-12,14,20,24H,6-10,13H2,1-5H3/t20-,21+,22+/m0/s1",CC(=O)OC[C@@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]12,C22H32O3,pos_1_1proton1ammonium,344.235144884,XWVGMPJQSWKTJV,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7461,7568,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4586156,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.334462404251099 7462,7566,382,Terpenoids,Diterpenoids,Labdane diterpenoids,0.48115152,ISDB,SGSLKSWEAHEFTA-UHFFFAOYSA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)",CC12C=CC3(C1)C(O)CC1C(C)(COC(=O)CCC(=O)O)CCCC1(C)C3CC2,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helipterum floribundum,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,2,5.924606084823608 7463,7566,382,Terpenoids,Diterpenoids,Labdane diterpenoids,0.48115152,ISDB,SGSLKSWEAHEFTA-PKWIELLASA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)/t16-,17-,18+,21-,22-,23+,24-/m1/s1",C[C@@]12C=C[C@@]3(C1)[C@H](CC2)[C@]1(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@@H]3O,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Rhodanthe floribunda,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,2,5.924606084823608 7464,7563,3171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.23912288,ISDB,YCLLXMHNUCXRQO-KXXNKQMISA-N,"InChI=1S/C34H52O7/c1-21(11-10-16-30(4,5)38)24-14-17-32(8)25(24)12-13-26-33(32,9)28(40-23(3)36)19-27-31(6,7)41-29(37)15-18-34(26,27)20-39-22(2)35/h11,19,24-26,28,38H,10,12-18,20H2,1-9H3/b21-11-/t24-,25+,26-,28+,32+,33-,34-/m0/s1",CC(=O)OC[C@]12CCC(=O)OC(C)(C)C1=C[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@H]2[C@H](/C(C)=C\CCC(C)(C)O)CC[C@]21C,C34H52O7,,572.371304004,YCLLXMHNUCXRQO,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cleome ovalifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],4,2,5.956491529941559 7465,7563,3171,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.23912288,ISDB,YCLLXMHNUCXRQO-KXXNKQMISA-N,"InChI=1S/C34H52O7/c1-21(11-10-16-30(4,5)38)24-14-17-32(8)25(24)12-13-26-33(32,9)28(40-23(3)36)19-27-31(6,7)41-29(37)15-18-34(26,27)20-39-22(2)35/h11,19,24-26,28,38H,10,12-18,20H2,1-9H3/b21-11-/t24-,25+,26-,28+,32+,33-,34-/m0/s1",CC(=O)OC[C@]12CCC(=O)OC(C)(C)C1=C[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@H]2[C@H](/C(C)=C\CCC(C)(C)O)CC[C@]21C,C34H52O7,,572.371304004,YCLLXMHNUCXRQO,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Cleome droserifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],4,2,5.956491529941559 7466,7562,-1,,,,0.21582356,ISDB,RWUFSDSPFFBHHT-NNPOLXHASA-N,"InChI=1S/C23H31NO2/c1-16(2)14-22(25)23(26)18(4)9-7-8-17(3)12-13-19-15-24-21-11-6-5-10-20(19)21/h5-6,9-12,14-15,22-26H,7-8,13H2,1-4H3/b17-12+,18-9+/t22-,23-/m0/s1",CC(C)=C[C@H](O)[C@@H](O)/C(C)=C/CC/C(C)=C/Cc1c[nH]c2ccccc12,C23H31NO2,,353.23547923199993,RWUFSDSPFFBHHT,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Uvaria pandensis,363735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria pandensis'],4,0,4.863294243812561 7467,7561,91,Terpenoids,Triterpenoids,Lupane triterpenoids,0.4497222,ISDB,MHAVMNJPXLZEIG-CNRMHUMKSA-N,"InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O2,,438.349780712,MHAVMNJPXLZEIG,Terpenoids,Triterpenoids,Lupane triterpenoids,Quercus suber,272709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus suber'],5,3,8.298888802528381 7468,7560,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.52105904,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.584236145019531 7469,7560,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.52105904,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.584236145019531 7470,7559,1549,Terpenoids,Triterpenoids,Glutinane triterpenoids,0.6164866,ISDB,XUPCBKGIPJPDGW-KKGVBXJVSA-N,"InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28-,29+,30+/m1/s1",CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1,C30H48O,,424.370516156,XUPCBKGIPJPDGW,Terpenoids,Triterpenoids,Glutinane triterpenoids,Spiraea nipponica var. tosaensis,5922265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea nipponica'],6,3,9.965946435928345 7471,7558,-1,,,,0.5556419,ISDB,,,,,,,RSGRICGNCQRUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.222567558288574 7472,7557,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48021555,ISDB,BYQLYGRDILHOFF-LNKGRISISA-N,"InChI=1S/C20H30O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h6,12,15-16,23H,5,7-11H2,1-4H3,(H,21,22)/t15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O3,,318.21949482,BYQLYGRDILHOFF,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.420862197875977 7473,7556,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6202734,ISDB,DYNISIGUMYFVJW-OCBLOMHFSA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.981093645095825 7474,7556,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6202734,ISDB,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.981093645095825 7475,7555,-1,,,,0.31075817,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.243032693862915 7476,7553,-1,,,,0.57431525,ISDB,PORPGKSIWVNTJC-XTEVQFBVSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-15H,2-7,16-17H2,1H3,(H,19,20)/b9-8?,11-10?,13-12?,15-14+",CCCCCCCC=CC=CC=C/C=C/CCC(=O)O,C18H28O2,,276.208930136,PORPGKSIWVNTJC,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Ixora chinensis,319890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Ixoreae'],['Ixora'],['Ixora chinensis'],3,0,5.297260999679565 7477,7551,-1,,,,0.5523072,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,0,8.209228754043579 7478,7551,-1,,,,0.5523072,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.209228754043579 7479,7551,-1,,,,0.5523072,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,8.209228754043579 7480,7550,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.58737665,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.849506616592407 7481,7548,1234,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7084259,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.333703517913818 7482,7548,1234,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7084259,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.333703517913818 7483,7547,1053,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,8.0 7484,7547,1053,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,RJEUVXAJCYTMIC-LRFNUQPTSA-N,"InChI=1S/C32H48O5/c1-18(33)35-21-10-11-28(6)19(27(21,4)5)9-12-29(7)23(28)22-24(36-22)32-20-17-26(2,3)13-15-31(20,25(34)37-32)16-14-30(29,32)8/h19-24H,9-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,28-,29+,30-,31-,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C,C32H48O5,pos_1_1proton,512.3501746359999,RJEUVXAJCYTMIC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,2,8.0 7485,7546,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.516111,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.564444065093994 7486,7546,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.516111,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.564444065093994 7487,7546,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.516111,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.564444065093994 7488,7546,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.516111,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.564444065093994 7489,7546,871,Terpenoids,Triterpenoids,Lupane triterpenoids,0.516111,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.564444065093994 7490,7545,1924,Terpenoids,Triterpenoids,Lupane triterpenoids,0.60173386,ISDB,CMXCLTFHXRTSPB-WIXFNSMHSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C,C30H44O2,,436.334130648,CMXCLTFHXRTSPB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,2,7.406935453414917 7491,7542,-1,,,,0.6784193,ISDB,BIOTYLLSAUIAJX-MMFOEVKWSA-N,"InChI=1S/C17H22O5/c1-8-7-13(21-11(4)18)14-10(3)16(19)22-15(14)17(20)9(2)5-6-12(8)17/h5,8,12-15,20H,3,6-7H2,1-2,4H3/t8-,12-,13-,14+,15+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(C)=O)C[C@H](C)[C@@H]1CC=C(C)[C@]21O,C17H22O5,,306.146723804,BIOTYLLSAUIAJX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Osmitopsis asteriscoides,856824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Osmitopsis'],['Osmitopsis asteriscoides'],3,0,5.713677167892456 7492,7541,2186,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48886088,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.455443501472473 7493,7540,-1,,,,0.0,MS1_match,ZBFSUZGUYFFWGY-SFHVURJKSA-N,"InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O4,pos_1_1sodium,314.15180918399994,ZBFSUZGUYFFWGY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 7494,7540,-1,,,,0.0,MS1_match,ZBFSUZGUYFFWGY-SFHVURJKSA-N,"InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O4,pos_1_1sodium,314.15180918399994,ZBFSUZGUYFFWGY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 7495,7536,207,Terpenoids,Triterpenoids,Lupane triterpenoids,0.54492575,ISDB,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.679702997207642 7496,7534,241,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,1,6.5 7497,7534,241,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,1,6.5 7498,7533,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1sodium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 7499,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 7500,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 7501,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,0,8.0 7502,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 7503,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7504,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 7505,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 7506,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 7507,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 7508,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 7509,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 7510,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 7511,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-MXNNCRBYSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1",N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,0,8.0 7512,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 7513,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 7514,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 7515,7532,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus myrtifolia,302846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus myrtifolia'],8,0,8.0 7516,7529,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.27048576,ISDB,DNRQDQGLQOWBRA-VNMKXAPUSA-N,"InChI=1S/C24H35NO4/c1-22-8-5-14(25)11-13(22)3-4-15-16(22)6-9-23(2)17(15)12-18-20(23)24(21(27)28-18)10-7-19(26)29-24/h13-18,20H,3-12,25H2,1-2H3/t13-,14-,15+,16?,17-,18-,20-,22-,23-,24-/m0/s1",C[C@]12CCC3[C@@H](CC[C@H]4C[C@@H](N)CC[C@]34C)[C@@H]1C[C@@H]1OC(=O)[C@]3(CCC(=O)O3)[C@@H]12,C24H35NO4,,401.2566086,DNRQDQGLQOWBRA,Terpenoids,Steroids,Cholane steroids,Cliona celata,230713.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Clionaidae'],['Unknown'],['Cliona'],['Cliona celata'],1,1,2.5819430351257324 7517,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-NLBXNPPRSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13-,17-16-",C=CCCCC/C=C\C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bidens campylotheca,711728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens campylotheca'],3,3,6.31049120426178 7518,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-RBBHKJGASA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4-,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C\C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bellidiastrum michelii,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.31049120426178 7519,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Greenmaniella resinosa,400169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Greenmaniella'],['Greenmaniella resinosa'],3,3,6.31049120426178 7520,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia australis,673550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia australis'],3,3,6.31049120426178 7521,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],3,3,6.31049120426178 7522,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pleiotaxis rugosa,996682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Dicomeae'],['Pleiotaxis'],['Pleiotaxis rugosa'],3,3,6.31049120426178 7523,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-GZESPCIDSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4?,15-13+,17-16?",C=CCCCC/C=C/C=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],3,3,6.31049120426178 7524,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.31049120426178 7525,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.31049120426178 7526,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia merckii,404241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia merckii'],3,3,6.31049120426178 7527,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis longula,7602247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis longula'],3,3,6.31049120426178 7528,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis venusta,5794545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis venusta'],3,3,6.31049120426178 7529,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Calea ternifolia,5794515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea ternifolia'],3,3,6.31049120426178 7530,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Aster bellidiastrum,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.31049120426178 7531,7528,968,Fatty acids,Fatty acyls,Hydrocarbons,0.4526228,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pityopsis graminifolia var. graminifolia,177992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pityopsis'],['Pityopsis graminifolia'],3,3,6.31049120426178 7532,7523,-1,,,,0.0,MS1_match,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,pos_1_1sodium,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 7533,7523,-1,,,,0.0,MS1_match,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,pos_1_1sodium,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,0,7.0 7534,7523,-1,,,,0.0,MS1_match,MKABKMLRRKPPCP-GSEOLPGOSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23)/t16-,18+,19-,20-/m1/s1",C=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,pos_1_1sodium,316.203844756,MKABKMLRRKPPCP,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 7535,7520,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5161337,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.564534902572632 7536,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-NLBXNPPRSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13-,17-16-",C=CCCCC/C=C\C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bidens campylotheca,711728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens campylotheca'],3,3,6.297202467918396 7537,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-RBBHKJGASA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4-,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C\C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bellidiastrum michelii,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.297202467918396 7538,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Greenmaniella resinosa,400169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Greenmaniella'],['Greenmaniella resinosa'],3,3,6.297202467918396 7539,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia australis,673550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia australis'],3,3,6.297202467918396 7540,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],3,3,6.297202467918396 7541,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pleiotaxis rugosa,996682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Dicomeae'],['Pleiotaxis'],['Pleiotaxis rugosa'],3,3,6.297202467918396 7542,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-GZESPCIDSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4?,15-13+,17-16?",C=CCCCC/C=C/C=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],3,3,6.297202467918396 7543,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.297202467918396 7544,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.297202467918396 7545,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia merckii,404241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia merckii'],3,3,6.297202467918396 7546,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis longula,7602247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis longula'],3,3,6.297202467918396 7547,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis venusta,5794545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis venusta'],3,3,6.297202467918396 7548,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Calea ternifolia,5794515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea ternifolia'],3,3,6.297202467918396 7549,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Aster bellidiastrum,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.297202467918396 7550,7519,968,Fatty acids,Fatty acyls,Hydrocarbons,0.44930062,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pityopsis graminifolia var. graminifolia,177992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pityopsis'],['Pityopsis graminifolia'],3,3,6.297202467918396 7551,7515,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1proton1ammonium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 7552,7514,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.22624408,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium miczynskii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.4049763083457947 7553,7514,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.22624408,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium soppii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.4049763083457947 7554,7513,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.2762155,ISDB,DNRQDQGLQOWBRA-VNMKXAPUSA-N,"InChI=1S/C24H35NO4/c1-22-8-5-14(25)11-13(22)3-4-15-16(22)6-9-23(2)17(15)12-18-20(23)24(21(27)28-18)10-7-19(26)29-24/h13-18,20H,3-12,25H2,1-2H3/t13-,14-,15+,16?,17-,18-,20-,22-,23-,24-/m0/s1",C[C@]12CCC3[C@@H](CC[C@H]4C[C@@H](N)CC[C@]34C)[C@@H]1C[C@@H]1OC(=O)[C@]3(CCC(=O)O3)[C@@H]12,C24H35NO4,,401.2566086,DNRQDQGLQOWBRA,Terpenoids,Steroids,Cholane steroids,Cliona celata,230713.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Clionaidae'],['Unknown'],['Cliona'],['Cliona celata'],1,1,2.6048619747161865 7555,7508,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7069694,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8278775215148926 7556,7501,3121,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.6255974,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,7.002389669418335 7557,7500,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7338956,ISDB,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.435582399368286 7558,7500,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7338956,ISDB,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.435582399368286 7559,7499,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.611209,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.944835901260376 7560,7498,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51997393,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.579895734786987 7561,7497,12,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.0,MS1_match,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,pos_2MNa,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,8.5 7562,7497,12,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.0,MS1_match,MKABKMLRRKPPCP-GSEOLPGOSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23)/t16-,18+,19-,20-/m1/s1",C=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,pos_2MNa,316.203844756,MKABKMLRRKPPCP,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,8.5 7563,7495,298,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.48439223,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.43756890296936 7564,7492,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32155287,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,8.786211490631104 7565,7492,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32155287,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,8.786211490631104 7566,7492,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32155287,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,8.786211490631104 7567,7492,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32155287,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,8.786211490631104 7568,7492,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32155287,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,8.786211490631104 7569,7492,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32155287,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,8.786211490631104 7570,7492,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32155287,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,8.786211490631104 7571,7492,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32155287,ISDB,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,3,8.786211490631104 7572,7491,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6062046,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.924818515777588 7573,7490,47,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41597694,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.163907766342163 7574,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.973785877227783 7575,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.973785877227783 7576,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.973785877227783 7577,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.973785877227783 7578,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.973785877227783 7579,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.973785877227783 7580,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus heldreichii,830812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus heldreichii'],6,3,9.973785877227783 7581,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.973785877227783 7582,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.973785877227783 7583,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.973785877227783 7584,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.973785877227783 7585,7486,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.61844647,ISDB,KGMSWPSAVZAMKR-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,KGMSWPSAVZAMKR,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.973785877227783 7586,7485,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.8152419,ISDB,ZDWOZEMRGOSWOF-ZTTFOMCMSA-N,"InChI=1S/C20H26O3/c1-10(2)12-8-11-6-7-15-19(3,4)17(22)16-18(23-16)20(15,5)13(11)9-14(12)21/h8-10,15-16,18,21H,6-7H2,1-5H3/t15-,16-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)[C@H]3O[C@H]3C(=O)C(C)(C)[C@@H]1CC2,C20H26O3,,314.188194692,ZDWOZEMRGOSWOF,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,3,9.760967493057251 7587,7484,-1,,,,0.0,MS1_match,FNNZMRSRVYUVQT-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3",CC(C)C1=CC2=CC(=O)C3C(C)(C)CCCC3(C)C2=C(O)C1=O,C20H26O3,pos_1_1sodium1acetonitrile,314.188194692,FNNZMRSRVYUVQT,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7588,7484,-1,,,,0.0,MS1_match,FNNZMRSRVYUVQT-AZUAARDMSA-N,"InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1",CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O,C20H26O3,pos_1_1sodium1acetonitrile,314.188194692,FNNZMRSRVYUVQT,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7589,7484,-1,,,,0.0,MS1_match,RHYFQBRFLJYSIH-QRWLVFNGSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15H,6-8,10H2,1-5H3/t15-,20+/m1/s1",CC(C)C1=CC(=O)C2=C(C(=O)C[C@@H]3C(C)(C)CCC[C@]23C)C1=O,C20H26O3,pos_1_1sodium1acetonitrile,314.188194692,RHYFQBRFLJYSIH,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7590,7484,-1,,,,0.0,MS1_match,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,pos_1_1sodium1acetonitrile,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7591,7484,-1,,,,0.0,MS1_match,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,pos_1_1sodium1acetonitrile,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7592,7484,-1,,,,0.0,MS1_match,KVTOPOITUALWOF-UYAOXDASSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,18,21H,6-8H2,1-5H3/t18-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@H]1C(=O)C2=O,C20H26O3,pos_1_1sodium1acetonitrile,314.188194692,KVTOPOITUALWOF,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7593,7483,2106,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,KLAGFFXRUOBTMA-DOEMEAPXSA-N,"InChI=1S/C20H30O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,13,16-17H,2,5-9,11-12H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C=O,C20H30O3,pos_1_1proton1acetonitrile,318.21949482,KLAGFFXRUOBTMA,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 7594,7483,2106,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,XWJQKJGYCVQLON-GRBTWQKKSA-N,"InChI=1S/C40H60O6/c1-22(2)25-21-26-30(32(42)31(25)41)40(9)19-10-16-37(5,6)35(40)34-33(26)45-29(46-34)20-23(3)12-14-27-24(4)13-15-28-38(27,7)17-11-18-39(28,8)36(43)44/h21-23,27-29,33-35,41-42H,4,10-20H2,1-3,5-9H3,(H,43,44)/t23-,27-,28-,29+,33-,34-,35-,38+,39-,40+/m0/s1",C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)C[C@H]1O[C@H]2[C@@H](O1)c1cc(C(C)C)c(O)c(O)c1[C@@]1(C)CCCC(C)(C)[C@H]21,C40H60O6,pos_2_2proton2acetonitrile,636.43898964,XWJQKJGYCVQLON,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 7595,7482,-1,,,,0.0,MS1_match,FNNZMRSRVYUVQT-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3",CC(C)C1=CC2=CC(=O)C3C(C)(C)CCCC3(C)C2=C(O)C1=O,C20H26O3,pos_1_1sodium,314.188194692,FNNZMRSRVYUVQT,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7596,7482,-1,,,,0.0,MS1_match,FNNZMRSRVYUVQT-AZUAARDMSA-N,"InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1",CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O,C20H26O3,pos_1_1sodium,314.188194692,FNNZMRSRVYUVQT,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7597,7482,-1,,,,0.0,MS1_match,RHYFQBRFLJYSIH-QRWLVFNGSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15H,6-8,10H2,1-5H3/t15-,20+/m1/s1",CC(C)C1=CC(=O)C2=C(C(=O)C[C@@H]3C(C)(C)CCC[C@]23C)C1=O,C20H26O3,pos_1_1sodium,314.188194692,RHYFQBRFLJYSIH,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7598,7482,-1,,,,0.0,MS1_match,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,pos_1_1sodium,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7599,7482,-1,,,,0.0,MS1_match,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,pos_1_1sodium,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7600,7482,-1,,,,0.0,MS1_match,KVTOPOITUALWOF-UYAOXDASSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,18,21H,6-8H2,1-5H3/t18-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@H]1C(=O)C2=O,C20H26O3,pos_1_1sodium,314.188194692,KVTOPOITUALWOF,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7601,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Parasenecio auriculata,4727345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cacalia'],['Cacalia auriculata'],3,3,7.132366418838501 7602,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio crispus,7609086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio crispus'],3,3,7.132366418838501 7603,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cacalia hastata,4727344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cacalia'],['Cacalia hastata'],3,3,7.132366418838501 7604,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Parasenecio hastatus,7051982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Parasenecio'],['Parasenecio hastatus'],3,3,7.132366418838501 7605,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Culcitium canescens,1049101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Culcitium'],['Culcitium canescens'],3,3,7.132366418838501 7606,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio coronatus,5794308.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio coronatus'],3,3,7.132366418838501 7607,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio lydenburgensis,6056932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio lydenburgensis'],3,3,7.132366418838501 7608,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio olivaceobracteatus,7609545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio olivaceobracteatus'],3,3,7.132366418838501 7609,7481,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6580916,ISDB,CPUMSSKXMLYDJO-UHFFFAOYSA-N,"InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3",COc1c2cccc(C)c2c(C)c2c(C)coc12,C16H16O2,,240.115029752,CPUMSSKXMLYDJO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Packera coahuilensis,7608645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Packera'],['Packera coahuilensis'],3,3,7.132366418838501 7610,7480,876,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.65347654,ISDB,YBJIFGYQRRWWFW-QMMMGPOBSA-N,"InChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-12-13(10(3)7-17-12)14(11)15(8)16/h6-8H,4-5H2,1-3H3/t8-/m0/s1",Cc1cc2occ(C)c2c2c1CC[C@H](C)C2=O,C15H16O2,,228.115029752,YBJIFGYQRRWWFW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],3,3,7.113906145095825 7611,7478,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6220033,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,6.98801326751709 7612,7478,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6220033,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,6.98801326751709 7613,7478,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6220033,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,6.98801326751709 7614,7478,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6220033,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,6.98801326751709 7615,7478,56,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6220033,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,6.98801326751709 7616,7477,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 7617,7477,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 7618,7477,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Pseudocydonia sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 7619,7477,-1,,,,0.0,MS1_match,VOQSZICWRNPAMF-IUGYEWCASA-N,"InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1",C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H56O5,pos_1_minus1proton1calcium,604.4127748919999,VOQSZICWRNPAMF,Terpenoids,Triterpenoids,Lupane triterpenoids,Chaenomeles sinensis,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 7620,7476,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.78110784,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,2,7.124431371688843 7621,7476,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.78110784,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,2,7.124431371688843 7622,7476,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.78110784,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,2,7.124431371688843 7623,7476,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.78110784,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,2,7.124431371688843 7624,7476,725,Terpenoids,Diterpenoids,Abietane diterpenoids,0.78110784,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,2,7.124431371688843 7625,7472,1642,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49869618,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.494784712791443 7626,7471,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.23850892,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium miczynskii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.454035699367523 7627,7471,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.23850892,ISDB,KNXPXXWZSYPYFN-POAXRSFOSA-N,"InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2?",CC=C(CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1)C(=O)O,C24H32O4,,384.230059504,KNXPXXWZSYPYFN,Polyketides,Aromatic polyketides,Catechols with side chains,Penicillium soppii,486252.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium miczynskii'],1,3,3.454035699367523 7628,7470,-1,,,,0.5860101,ISDB,PCLDEDSUWNZZDJ-WAKWZFOWSA-N,"InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16-,17-,19+,20+/m0/s1",C=C1CC[C@H]2[C@](C)(CC[C@H]3C[C@]32C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O2,,302.2245802,PCLDEDSUWNZZDJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,8.344040393829346 7629,7468,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5546735,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.718693971633911 7630,7468,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5546735,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.718693971633911 7631,7468,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5546735,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.718693971633911 7632,7468,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5546735,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.718693971633911 7633,7468,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5546735,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.718693971633911 7634,7468,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5546735,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,3,9.718693971633911 7635,7468,485,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5546735,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.718693971633911 7636,7467,249,Terpenoids,Steroids,Cardenolides,0.38164103,ISDB,RFOCIKIRPCYOTG-QYYSKZFYSA-N,"InChI=1S/C24H32O6/c1-11(2)24-12(25)10-22(5,28)17(24)13-14(19(24)26)23-9-7-8-21(3,4)18(23)16(15(13)29-6)30-20(23)27/h11,15-18,28H,7-10H2,1-6H3/t15-,16+,17-,18-,22-,23-,24+/m0/s1",CO[C@H]1C2=C(C(=O)[C@]3(C(C)C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C24H32O6,,416.219888744,RFOCIKIRPCYOTG,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia apiana,466625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia apiana'],3,1,5.026564121246338 7637,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cedrela odorata,481677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Cedrela'],['Cedrela odorata'],3,3,7.6041810512542725 7638,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Halocarpus kirkii,309855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus kirkii'],3,3,7.6041810512542725 7639,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mastigophora diclados,94620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Mastigophoraceae'],['Unknown'],['Mastigophora'],['Mastigophora diclados'],3,3,7.6041810512542725 7640,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],3,3,7.6041810512542725 7641,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,7.6041810512542725 7642,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Juniperus excelsa,283344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus excelsa'],3,3,7.6041810512542725 7643,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],3,3,7.6041810512542725 7644,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],3,3,7.6041810512542725 7645,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia littoralis,859241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia littoralis'],3,3,7.6041810512542725 7646,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia elegans,80342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia elegans'],3,3,7.6041810512542725 7647,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],3,3,7.6041810512542725 7648,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],3,3,7.6041810512542725 7649,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],3,3,7.6041810512542725 7650,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina insularis,313201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina insularis'],3,3,7.6041810512542725 7651,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina corsica,130304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina corsica'],3,3,7.6041810512542725 7652,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania congesta,3899922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania congesta'],3,3,7.6041810512542725 7653,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania banisteriae,7051520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania hirsutissima'],3,3,7.6041810512542725 7654,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania parviflora,6056508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania parviflora'],3,3,7.6041810512542725 7655,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania cordifolia,803876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordifolia'],3,3,7.6041810512542725 7656,7465,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77604526,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Micromeria juliana,596693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria juliana'],3,3,7.6041810512542725 7657,7464,1829,Alkaloids,Ornithine alkaloids,,0.7053719,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8214876651763916 7658,7463,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5874312,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.349724769592285 7659,7462,3582,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.0,MS1_match,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,pos_2MH,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,8.5 7660,7462,3582,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.0,MS1_match,MKABKMLRRKPPCP-GSEOLPGOSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23)/t16-,18+,19-,20-/m1/s1",C=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,pos_2MH,316.203844756,MKABKMLRRKPPCP,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,8.5 7661,7461,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.77772516,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,0,6.110900640487671 7662,7461,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.77772516,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],3,0,6.110900640487671 7663,7459,-1,,,,0.0,MS1_match,QDMMUVWIKPTNHN-GRDCQMQTSA-N,"InChI=1S/C30H44O5/c1-18(2)24-9-8-22-16-30(17-25(22)28(24,6)12-11-26(32)33)20(4)10-13-29(30,7)21(5)15-23(31)14-19(3)27(34)35/h8,19,21,24-25H,1,4,9-17H2,2-3,5-7H3,(H,32,33)(H,34,35)/t19-,21-,24+,25-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2C[C@]3(C[C@H]2[C@@]1(C)CCC(=O)O)C(=C)CC[C@@]3(C)[C@H](C)CC(=O)C[C@@H](C)C(=O)O,C30H44O5,pos_1_1sodium,484.318874508,QDMMUVWIKPTNHN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,7.0 7664,7458,-1,,,,0.418768,ISDB,,,,,,,VIQFMADXQMGZER,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6750719547271729 7665,7457,1694,Terpenoids,Steroids,Bufadienolides,0.21637307,ISDB,ZLGGXAQFLUDHSB-UZXBVNGWSA-N,"InChI=1S/C24H30O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,11,13,17-19,21,26,28H,4-5,7-10,12H2,1-2H3/t17-,18-,19-,21-,22+,23-,24+/m1/s1",C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O,C24H30O5,,398.20932406,ZLGGXAQFLUDHSB,Terpenoids,Steroids,Bufadienolides,Drimia maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,3,5.365492284297943 7666,7457,1694,Terpenoids,Steroids,Bufadienolides,0.21637307,ISDB,ZLGGXAQFLUDHSB-UZXBVNGWSA-N,"InChI=1S/C24H30O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,11,13,17-19,21,26,28H,4-5,7-10,12H2,1-2H3/t17-,18-,19-,21-,22+,23-,24+/m1/s1",C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O,C24H30O5,,398.20932406,ZLGGXAQFLUDHSB,Terpenoids,Steroids,Bufadienolides,Urginea maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,3,5.365492284297943 7667,7456,1829,Alkaloids,Ornithine alkaloids,,0.6927389,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7709555625915527 7668,7454,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7669,7454,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7670,7454,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_1_1sodium,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 7671,7454,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7672,7454,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_1_1sodium,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,0,8.0 7673,7454,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-UDYKRWBFSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C,C28H48O,pos_1_1sodium,400.3705161559999,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 7674,7451,1694,Terpenoids,Steroids,Bufadienolides,0.2072141,ISDB,ZLGGXAQFLUDHSB-UZXBVNGWSA-N,"InChI=1S/C24H30O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,11,13,17-19,21,26,28H,4-5,7-10,12H2,1-2H3/t17-,18-,19-,21-,22+,23-,24+/m1/s1",C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O,C24H30O5,,398.20932406,ZLGGXAQFLUDHSB,Terpenoids,Steroids,Bufadienolides,Drimia maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,3,5.328856408596039 7675,7451,1694,Terpenoids,Steroids,Bufadienolides,0.2072141,ISDB,ZLGGXAQFLUDHSB-UZXBVNGWSA-N,"InChI=1S/C24H30O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,11,13,17-19,21,26,28H,4-5,7-10,12H2,1-2H3/t17-,18-,19-,21-,22+,23-,24+/m1/s1",C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O,C24H30O5,,398.20932406,ZLGGXAQFLUDHSB,Terpenoids,Steroids,Bufadienolides,Urginea maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,3,5.328856408596039 7676,7446,-1,,,,0.2501833,ISDB,QDMMUVWIKPTNHN-GRDCQMQTSA-N,"InChI=1S/C30H44O5/c1-18(2)24-9-8-22-16-30(17-25(22)28(24,6)12-11-26(32)33)20(4)10-13-29(30,7)21(5)15-23(31)14-19(3)27(34)35/h8,19,21,24-25H,1,4,9-17H2,2-3,5-7H3,(H,32,33)(H,34,35)/t19-,21-,24+,25-,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2C[C@]3(C[C@H]2[C@@]1(C)CCC(=O)O)C(=C)CC[C@@]3(C)[C@H](C)CC(=O)C[C@@H](C)C(=O)O,C30H44O5,,484.318874508,QDMMUVWIKPTNHN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,8.000733256340027 7677,7444,-1,,,,0.49852458,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,8.99409830570221 7678,7444,-1,,,,0.49852458,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,8.99409830570221 7679,7444,-1,,,,0.49852458,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.99409830570221 7680,7444,-1,,,,0.49852458,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,8.99409830570221 7681,7444,-1,,,,0.49852458,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,0,8.99409830570221 7682,7440,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.82170606,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,2,11.286824226379395 7683,7438,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.53066975,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.622678995132446 7684,7438,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.53066975,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],5,3,8.622678995132446 7685,7438,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.53066975,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.622678995132446 7686,7436,-1,,,,0.6342853,ISDB,IZWBODJDDBCDFA-DXEZAUPJSA-N,"InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,27+,28+,29-,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,,470.339609952,IZWBODJDDBCDFA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.5371410846710205 7687,7435,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HHGPYJLEJGNWJA-UHFFFAOYSA-N,"InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1,C19H18O7,pos_1_1proton,358.1052529159999,HHGPYJLEJGNWJA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],6,3,7.5 7688,7430,256,Fatty acids,Fatty amides,Primary amides,0.8089698,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.735879182815552 7689,7428,587,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.23033305,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,2,8.92133218050003 7690,7427,587,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.0,MS1_match,UQDRWSKYMXNNHX-JYXJIEJFSA-N,"InChI=1S/C17H24O4/c1-16-6-3-7-17(2,15(20)21)14(16)9-13(19)11-8-10(18)4-5-12(11)16/h8,12-14,19H,3-7,9H2,1-2H3,(H,20,21)/t12-,13+,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1C[C@@H](O)C1=CC(=O)CC[C@@H]12,C17H24O4,pos_1_1sodium,292.167459248,UQDRWSKYMXNNHX,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,7.5 7691,7427,587,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.0,MS1_match,UQDRWSKYMXNNHX-AZGDMVHKSA-N,"InChI=1S/C17H24O4/c1-16-6-3-7-17(2,15(20)21)14(16)9-13(19)11-8-10(18)4-5-12(11)16/h8,12-14,19H,3-7,9H2,1-2H3,(H,20,21)/t12-,13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1C[C@H](O)C1=CC(=O)CC[C@@H]12,C17H24O4,pos_1_1sodium,292.167459248,UQDRWSKYMXNNHX,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 7692,7426,-1,,,,0.65680504,ISDB,RHXIVZRYHFCBDN-JFIYKMOQSA-N,"InChI=1S/C18H24O2/c1-11-7-12-13(8-14(11)19)18-6-4-5-17(2,3)16(18)9-15(12)20-10-18/h7-8,15-16,19H,4-6,9-10H2,1-3H3/t15-,16-,18-/m1/s1",Cc1cc2c(cc1O)[C@]13CCCC(C)(C)[C@H]1C[C@H]2OC3,C18H24O2,,272.177630008,RHXIVZRYHFCBDN,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Salvia przewalskii,547902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia przewalskii'],3,0,5.627220153808594 7693,7426,-1,,,,0.65680504,ISDB,RHXIVZRYHFCBDN-BQFCYCMXSA-N,"InChI=1S/C18H24O2/c1-11-7-12-13(8-14(11)19)18-6-4-5-17(2,3)16(18)9-15(12)20-10-18/h7-8,15-16,19H,4-6,9-10H2,1-3H3/t15-,16-,18-/m0/s1",Cc1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3,C18H24O2,,272.177630008,RHXIVZRYHFCBDN,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Salvia miltiorrhiza,847543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia miltiorrhiza'],3,0,5.627220153808594 7694,7426,-1,,,,0.65680504,ISDB,RHXIVZRYHFCBDN-UHFFFAOYSA-N,"InChI=1S/C18H24O2/c1-11-7-12-13(8-14(11)19)18-6-4-5-17(2,3)16(18)9-15(12)20-10-18/h7-8,15-16,19H,4-6,9-10H2,1-3H3",Cc1cc2c(cc1O)C13CCCC(C)(C)C1CC2OC3,C18H24O2,,272.177630008,RHXIVZRYHFCBDN,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Uvaria klaineana,3867763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria klaineana'],3,0,5.627220153808594 7695,7426,-1,,,,0.65680504,ISDB,RHXIVZRYHFCBDN-UHFFFAOYSA-N,"InChI=1S/C18H24O2/c1-11-7-12-13(8-14(11)19)18-6-4-5-17(2,3)16(18)9-15(12)20-10-18/h7-8,15-16,19H,4-6,9-10H2,1-3H3",Cc1cc2c(cc1O)C13CCCC(C)(C)C1CC2OC3,C18H24O2,,272.177630008,RHXIVZRYHFCBDN,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Salvia yunnanensis,547898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia yunnanensis'],3,0,5.627220153808594 7696,7425,-1,,,,0.5761961,ISDB,OFNCLOVZELBDAP-DOTOQJQBSA-N,"InChI=1S/C17H24O/c1-16(2)9-4-10-17(3)14-7-6-13(18)11-12(14)5-8-15(16)17/h6-7,11,15,18H,4-5,8-10H2,1-3H3/t15-,17+/m0/s1",CC1(C)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H24O,,244.182715388,OFNCLOVZELBDAP,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],3,0,5.304784297943115 7697,7424,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69746995,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.28987979888916 7698,7423,1279,,,,0.6952512,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7810049057006836 7699,7421,968,Fatty acids,Fatty acyls,Hydrocarbons,0.7459248,ISDB,XIQXUFYJMBDYSU-CIUDSAMLSA-N,"InChI=1S/C11H20N2O2/c1-5-7(4)9-11(15)12-8(6(2)3)10(14)13-9/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC1=O,C11H20N2O2,,212.15247788,XIQXUFYJMBDYSU,Amino acids and Peptides,Small peptides,Dipeptides,Ophiocordyceps sinensis,610202.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Ophiocordycipitaceae'],['Unknown'],['Ophiocordyceps'],['Ophiocordyceps sinensis'],1,0,3.983699083328247 7700,7420,1300,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.27640757,ISDB,AJBUFFHLKFFHRG-RPHKCIOSSA-N,"InChI=1S/C23H30O5/c1-13(24)27-18-11-15-20(2,3)17(25)8-9-21(15,4)14-7-10-22(5)16(23(14,18)6)12-19(26)28-22/h8-9,12,14-15,18H,7,10-11H2,1-6H3/t14-,15+,18-,21-,22+,23-/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)OC(=O)C=C3[C@@]21C,C23H30O5,,386.2093240599999,AJBUFFHLKFFHRG,Terpenoids,Triterpenoids,Limonoids,Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],3,2,5.105630278587341 7701,7419,2035,,,,0.2159174,ISDB,,,,,,,XNSKSTRGQIPTSE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8636695742607117 7702,7418,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.56579727,ISDB,WYCSEWZLGFMMRF-VFVAKGGASA-N,"InChI=1S/C16H20O3/c1-10-5-7-15(3)11(2)12-6-8-19-13(12)9-16(10,15)14(17)18-4/h6,8,10H,2,5,7,9H2,1,3-4H3/t10-,15+,16+/m1/s1",C=C1c2ccoc2C[C@@]2(C(=O)OC)[C@H](C)CC[C@@]12C,C16H20O3,,260.1412445,WYCSEWZLGFMMRF,Terpenoids,Sesquiterpenoids,Pinguisane sesquiterpenoids,Bryopteris filicina,367054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Lejeuneaceae'],['Unknown'],['Bryopteris'],['Bryopteris filicina'],3,2,6.263189077377319 7703,7417,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.55487794,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.7195117473602295 7704,7417,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.55487794,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.7195117473602295 7705,7416,1232,Terpenoids,Diterpenoids,Cardenolides,0.4492235,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.296893954277039 7706,7415,-1,,,,0.0,MS1_match,VSMOENVRRABVKN-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C=CC(O)CCCCC,C8H16O,pos_2MCH3CNNa,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,0,7.0 7707,7414,256,Fatty acids,Fatty amides,Primary amides,0.8176106,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.770442485809326 7708,7413,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36486593,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.959463715553284 7709,7412,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 7710,7412,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 7711,7412,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 7712,7412,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 7713,7412,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 7714,7411,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3447448,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.878979206085205 7715,7410,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.54364043,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.6745617389678955 7716,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cedrela odorata,481677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Cedrela'],['Cedrela odorata'],3,3,7.607339143753052 7717,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Halocarpus kirkii,309855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus kirkii'],3,3,7.607339143753052 7718,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mastigophora diclados,94620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Mastigophoraceae'],['Unknown'],['Mastigophora'],['Mastigophora diclados'],3,3,7.607339143753052 7719,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],3,3,7.607339143753052 7720,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,7.607339143753052 7721,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Juniperus excelsa,283344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus excelsa'],3,3,7.607339143753052 7722,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],3,3,7.607339143753052 7723,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],3,3,7.607339143753052 7724,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia littoralis,859241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia littoralis'],3,3,7.607339143753052 7725,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia elegans,80342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia elegans'],3,3,7.607339143753052 7726,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],3,3,7.607339143753052 7727,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],3,3,7.607339143753052 7728,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],3,3,7.607339143753052 7729,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina insularis,313201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina insularis'],3,3,7.607339143753052 7730,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina corsica,130304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina corsica'],3,3,7.607339143753052 7731,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania congesta,3899922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania congesta'],3,3,7.607339143753052 7732,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania banisteriae,7051520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania hirsutissima'],3,3,7.607339143753052 7733,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania parviflora,6056508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania parviflora'],3,3,7.607339143753052 7734,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania cordifolia,803876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordifolia'],3,3,7.607339143753052 7735,7409,265,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7768348,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Micromeria juliana,596693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria juliana'],3,3,7.607339143753052 7736,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 7737,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 7738,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 7739,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 7740,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 7741,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 7742,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 7743,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 7744,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pygeum africanum,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 7745,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus africana,331944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus africana'],8,3,9.5 7746,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 7747,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 7748,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,JXSVIVRDWWRQRT-UMCOSQRYSA-N,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,JXSVIVRDWWRQRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus serrula,3902730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrula'],8,3,9.5 7749,7408,1407,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,pos_1_minus1proton1iron,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 7750,7405,1232,Terpenoids,Diterpenoids,Cardenolides,0.47360176,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.394407033920288 7751,7401,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51546013,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.561840534210205 7752,7400,647,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6119227,ISDB,ISHVJVXYPLFKAL-AZUAARDMSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.947690725326538 7753,7399,-1,,,,0.0,MS1_match,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,pos_1_1proton1ammonium,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 7754,7399,-1,,,,0.0,MS1_match,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,pos_1_1proton1ammonium,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 7755,7399,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1acetonitrile,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 7756,7398,2035,,,,0.2187189,ISDB,,,,,,,XNSKSTRGQIPTSE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8748756051063538 7757,7393,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6507552,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.103020906448364 7758,7393,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6507552,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.103020906448364 7759,7390,1136,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.21942183,ISDB,ZBFSUZGUYFFWGY-SFHVURJKSA-N,"InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O4,,314.15180918399994,ZBFSUZGUYFFWGY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,10.377687335014343 7760,7385,184,Polyketides,Aromatic polyketides,Catechols with side chains,0.4431453,ISDB,DBXOINQVJUWNRR-UHFFFAOYSA-N,"InChI=1S/C24H32O4/c1-26-20-17-15-19(16-18-20)11-8-6-4-5-7-9-12-21(25)24-22(27-2)13-10-14-23(24)28-3/h10,13-18H,4-9,11-12H2,1-3H3",COc1ccc(CCCCCCCCC(=O)c2c(OC)cccc2OC)cc1,C24H32O4,,384.230059504,DBXOINQVJUWNRR,Polyketides,Aromatic polyketides,Catechols with side chains,Myristica fragrans,710320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Myristica'],['Myristica fragrans'],3,3,6.272581219673157 7761,7383,-1,,,,0.24452333,ISDB,FITFAFMCWGCVDQ-LJQANCHMSA-N,"InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m1/s1",O[C@H](CCCCc1ccccc1)CCc1ccccc1,C19H24O,,268.182715388,FITFAFMCWGCVDQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,0,6.978093326091766 7762,7382,-1,,,,0.57876927,ISDB,ZRWYJLKDVMFVOU-HWDJUHOGSA-N,"InChI=1S/C19H24O2/c1-12-14-5-8-18-9-13(19(10-18)11-21-19)3-4-16(18)17(14,2)7-6-15(12)20/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3/t13-,16+,17-,18+,19-/m1/s1",CC1=C2C=C[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CCC1=O)[C@]1(CO1)C4,C19H24O2,,284.177630008,ZRWYJLKDVMFVOU,Terpenoids,Diterpenoids,,Athrixia phylicoides,468782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Athrixia'],['Athrixia phylicoides'],3,0,5.315077066421509 7763,7380,-1,,,,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 7764,7380,-1,,,,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 7765,7378,-1,,,,0.0,MS1_match,ARSUANVZLQGVLZ-UHFFFAOYSA-N,"InChI=1S/C30H44O11/c1-11-15(4)26(34)39-19(14-20(31)29(8,9)37)18(7)21-22(32)25(41-28(36)17(6)13-3)30(10,38)24(33)23(21)40-27(35)16(5)12-2/h11-13,19-23,25,31-32,37-38H,7,14H2,1-6,8-10H3",C=C(C(CC(O)C(C)(C)O)OC(=O)C(C)=CC)C1C(OC(=O)C(C)=CC)C(=O)C(C)(O)C(OC(=O)C(C)=CC)C1O,C30H44O11,pos_1_1sodium,580.288362228,ARSUANVZLQGVLZ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 7766,7378,-1,,,,0.0,MS1_match,ARSUANVZLQGVLZ-BBACOXQGSA-N,"InChI=1S/C30H44O11/c1-11-15(4)26(34)39-19(14-20(31)29(8,9)37)18(7)21-22(32)25(41-28(36)17(6)13-3)30(10,38)24(33)23(21)40-27(35)16(5)12-2/h11-13,19-23,25,31-32,37-38H,7,14H2,1-6,8-10H3/b15-11-,16-12-,17-13-/t19-,20-,21-,22-,23+,25-,30-/m0/s1",C=C([C@H]1[C@H](O)[C@H](OC(=O)/C(C)=C\C)[C@@](C)(O)C(=O)[C@@H]1OC(=O)/C(C)=C\C)[C@H](C[C@H](O)C(C)(C)O)OC(=O)/C(C)=C\C,C30H44O11,pos_1_1sodium,580.2883622279999,ARSUANVZLQGVLZ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 7767,7378,-1,,,,0.0,MS1_match,ARSUANVZLQGVLZ-UHFFFAOYSA-N,"InChI=1S/C30H44O11/c1-11-15(4)26(34)39-19(14-20(31)29(8,9)37)18(7)21-22(32)25(41-28(36)17(6)13-3)30(10,38)24(33)23(21)40-27(35)16(5)12-2/h11-13,19-23,25,31-32,37-38H,7,14H2,1-6,8-10H3",C=C(C(CC(O)C(C)(C)O)OC(=O)C(C)=CC)C1C(OC(=O)C(C)=CC)C(=O)C(C)(O)C(OC(=O)C(C)=CC)C1O,C30H44O11,pos_1_1sodium,580.288362228,ARSUANVZLQGVLZ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 7768,7378,-1,,,,0.0,MS1_match,ARSUANVZLQGVLZ-BBACOXQGSA-N,"InChI=1S/C30H44O11/c1-11-15(4)26(34)39-19(14-20(31)29(8,9)37)18(7)21-22(32)25(41-28(36)17(6)13-3)30(10,38)24(33)23(21)40-27(35)16(5)12-2/h11-13,19-23,25,31-32,37-38H,7,14H2,1-6,8-10H3/b15-11-,16-12-,17-13-/t19-,20-,21-,22-,23+,25-,30-/m0/s1",C=C([C@H]1[C@H](O)[C@H](OC(=O)/C(C)=C\C)[C@@](C)(O)C(=O)[C@@H]1OC(=O)/C(C)=C\C)[C@H](C[C@H](O)C(C)(C)O)OC(=O)/C(C)=C\C,C30H44O11,pos_1_1sodium,580.2883622279999,ARSUANVZLQGVLZ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 7769,7377,-1,,,,0.0,MS1_match,ZBFSUZGUYFFWGY-SFHVURJKSA-N,"InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O4,pos_1_1sodium,314.15180918399994,ZBFSUZGUYFFWGY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 7770,7377,-1,,,,0.0,MS1_match,ZBFSUZGUYFFWGY-SFHVURJKSA-N,"InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O4,pos_1_1sodium,314.15180918399994,ZBFSUZGUYFFWGY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 7771,7376,1548,Terpenoids,Diterpenoids,Cassane diterpenoids,0.4305636,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.222254395484924 7772,7376,1548,Terpenoids,Diterpenoids,Cassane diterpenoids,0.4305636,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.222254395484924 7773,7375,2106,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1proton1acetonitrile,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 7774,7375,2106,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1proton1acetonitrile,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 7775,7374,-1,,,,0.0,MS1_match,KGACAZODSZLMAB-VQTJNVASSA-N,"InChI=1S/C20H26O4/c1-11(2)12-8-13-14(9-15(12)22)20(4)7-5-6-19(3,10-21)18(20)17(24)16(13)23/h8-9,11,21-22,24H,5-7,10H2,1-4H3/t19-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CO)C1=C(O)C2=O,C20H26O4,pos_1_1sodium,330.183109312,KGACAZODSZLMAB,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7776,7374,-1,,,,0.0,MS1_match,QDFALZMZLBCVCD-HXUWFJFHSA-N,"InChI=1S/C20H26O4/c1-10(2)11-9-12-13(16(23)14(11)21)20(5)8-6-7-19(3,4)18(20)17(24)15(12)22/h9-10,21,23-24H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O4,pos_1_1sodium,330.18310931199994,QDFALZMZLBCVCD,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7777,7374,-1,,,,0.0,MS1_match,RBIJNXWWDBHDQS-HXUWFJFHSA-N,"InChI=1S/C20H26O4/c1-18(2)7-6-8-20(5)12-10-14(21)13(19(3,4)24)9-11(12)15(22)16(23)17(18)20/h9-10,21,23-24H,6-8H2,1-5H3/t20-/m1/s1",CC1(C)CCC[C@@]2(C)C1=C(O)C(=O)c1cc(C(C)(C)O)c(O)cc12,C20H26O4,pos_1_1sodium,330.18310931199994,RBIJNXWWDBHDQS,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,7.0 7778,7373,1548,Terpenoids,Diterpenoids,Cassane diterpenoids,0.44650963,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.286038517951965 7779,7373,1548,Terpenoids,Diterpenoids,Cassane diterpenoids,0.44650963,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.286038517951965 7780,7372,731,Fatty acids,Sphingolipids,Sphingoid bases,0.40470183,ISDB,WWGVMWNCEFTAEP-AXPXABNXSA-N,"InChI=1S/C21H37N3/c1-17(2)9-7-11-19(5)13-15-23-21(22)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H3,22,23,24)/b19-13-,20-14-",CC(C)=CCC/C(C)=C\CNC(=N)NC/C=C(/C)CCC=C(C)C,C21H37N3,,331.298748184,WWGVMWNCEFTAEP,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Pterogyne nitens,946962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Pterogyne'],['Pterogyne nitens'],3,0,4.618807315826416 7781,7371,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6596953,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.138781309127808 7782,7371,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6596953,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.138781309127808 7783,7371,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6596953,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.138781309127808 7784,7371,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6596953,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.138781309127808 7785,7371,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6596953,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.138781309127808 7786,7367,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,DHHQJIJHAFUHHD-UWKAYAFWSA-N,"InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1",CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C25H44O12,pos_1_1proton1ethylamine,536.283276848,DHHQJIJHAFUHHD,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 7787,7367,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,DHHQJIJHAFUHHD-BXLIXUOISA-N,"InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15-,16+,17-,18+,19+,20-,21-,22+,23-,24+/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1,C25H44O12,pos_1_1proton1ethylamine,536.283276848,DHHQJIJHAFUHHD,Terpenoids,Apocarotenoids,Megastigmanes,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 7788,7367,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,DHHQJIJHAFUHHD-UWKAYAFWSA-N,"InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1",CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C25H44O12,pos_1_1proton1ethylamine,536.283276848,DHHQJIJHAFUHHD,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 7789,7367,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,DHHQJIJHAFUHHD-BXLIXUOISA-N,"InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15-,16+,17-,18+,19+,20-,21-,22+,23-,24+/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1,C25H44O12,pos_1_1proton1ethylamine,536.283276848,DHHQJIJHAFUHHD,Terpenoids,Apocarotenoids,Megastigmanes,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 7790,7367,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,JPFKTKCDYZBLOK-UWKAYAFWSA-N,"InChI=1S/C25H44O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C1,C25H44O12,pos_1_1proton1ethylamine,536.283276848,JPFKTKCDYZBLOK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 7791,7367,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,JPFKTKCDYZBLOK-UWKAYAFWSA-N,"InChI=1S/C25H44O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C1,C25H44O12,pos_1_1proton1ethylamine,536.283276848,JPFKTKCDYZBLOK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 7792,7366,1332,Terpenoids,Diterpenoids,Labdane diterpenoids,0.36026827,ISDB,NSRKLZRKJJQJLD-BEUFEYIVSA-N,"InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CCO,C20H34O3,,322.250794948,NSRKLZRKJJQJLD,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis var. communis,869358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,9.941073060035706 7793,7366,1332,Terpenoids,Diterpenoids,Labdane diterpenoids,0.36026827,ISDB,NSRKLZRKJJQJLD-BEUFEYIVSA-N,"InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CCO,C20H34O3,,322.250794948,NSRKLZRKJJQJLD,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,9.941073060035706 7794,7365,1227,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.42218298,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,2,8.688731908798218 7795,7364,-1,,,,0.62949955,ISDB,UQRIWUJVYILWMU-DGUWLTKGSA-N,"InChI=1S/C19H32O/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-13(14(20)12-19)5-6-16(18)19/h13-16,20H,4-12H2,1-3H3/t13-,14+,15-,16+,18-,19+/m1/s1",CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@H](O)C3,C19H32O,,276.245315644,UQRIWUJVYILWMU,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Mikania micrantha,266305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania micrantha'],3,0,5.517998218536377 7796,7363,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62717295,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,11.008691787719727 7797,7363,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62717295,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,11.008691787719727 7798,7362,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.71071607,ISDB,CTILMUMVHPOCNU-JTQLQIEISA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,2,7.842864274978638 7799,7362,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.71071607,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena glaberrima,7603033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena glaberrima'],4,2,7.842864274978638 7800,7362,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.71071607,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,2,7.842864274978638 7801,7362,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.71071607,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eutrochium fistulosum,681437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eutrochium'],['Eutrochium fistulosum'],4,2,7.842864274978638 7802,7362,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.71071607,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis ulicina,7600236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis ulicina'],4,2,7.842864274978638 7803,7362,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.71071607,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena,692383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Unknown'],4,2,7.842864274978638 7804,7361,-1,,,,0.71184033,ISDB,MLXSCOQFYJPFNW-UHFFFAOYSA-N,"InChI=1S/C8H12N5O/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3/h4H,1-3H3,(H2,9,10,11,14)",CN=c1nc(O)c2c([nH]1)N(C)[CH]N2C,C8H12N5O,,194.104185004,MLXSCOQFYJPFNW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Heterostemma brownii,300835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Ceropegieae'],['Heterostemma'],['Heterostemma brownii'],4,0,6.847361326217651 7805,7360,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.31583327,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.763333082199097 7806,7359,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6997873,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.29914927482605 7807,7358,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7601278,ISDB,ZSZRRSWODAXOPL-VMLRXSKPSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15-,16-,17+,18-,19-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia guacharaca,7051684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Espeletiopsis'],['Espeletiopsis guacharaca'],3,3,7.540511131286621 7808,7358,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7601278,ISDB,ZSZRRSWODAXOPL-VMLRXSKPSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15-,16-,17+,18-,19-/m1/s1",C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletiopsis guacharaca,7051684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Espeletiopsis'],['Espeletiopsis guacharaca'],3,3,7.540511131286621 7809,7358,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7601278,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia tamana,7051700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus tamanus'],3,3,7.540511131286621 7810,7358,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7601278,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Libanothamnus tamanus,7051700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus tamanus'],3,3,7.540511131286621 7811,7358,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7601278,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Espeletia wurdackii,7606576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Carramboa'],['Carramboa wurdackii'],3,3,7.540511131286621 7812,7358,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7601278,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Carramboa wurdackii,7606576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Carramboa'],['Carramboa wurdackii'],3,3,7.540511131286621 7813,7358,2998,Terpenoids,Diterpenoids,Norkaurane diterpenoids,0.7601278,ISDB,ZSZRRSWODAXOPL-XBHSAZQKSA-N,"InChI=1S/C19H30/c1-13-5-4-9-18(3)16(13)8-10-19-11-14(2)15(12-19)6-7-17(18)19/h13,15-17H,2,4-12H2,1,3H3/t13-,15+,16+,17-,18+,19+/m0/s1",C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H30,,258.23475096,ZSZRRSWODAXOPL,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Libanothamnus banksiifolius,7606707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Libanothamnus'],['Libanothamnus banksiifolius'],3,3,7.540511131286621 7814,7357,-1,,,,0.0,MS1_match,RMGHMAQSHNALPO-LDNJSWSKSA-N,"InChI=1S/C22H32O4/c1-7-14(2)8-10-17-15(3)9-11-18-21(17,5)13-12-19(26-16(4)23)22(18,6)20(24)25/h7,17-19H,1-3,8-13H2,4-6H3,(H,24,25)/t17-,18+,19+,21+,22+/m0/s1",C=CC(=C)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(=O)O,C22H32O4,pos_2_2proton,360.230059504,RMGHMAQSHNALPO,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus excelsa,283344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus excelsa'],6,0,6.0 7815,7356,957,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.43943453,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],3,3,6.25773811340332 7816,7355,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.85052925,ISDB,MWKLDMFBNRCDPE-KZZRWZIVSA-N,"InChI=1S/C12H18/c1-11-4-2-3-5-12(11)9-6-8(11)7-10(9)12/h8-10H,2-7H2,1H3/t8-,9+,10-,11-,12+/m0/s1",C[C@@]12CCCC[C@]13[C@@H]1C[C@H]2C[C@@H]13,C12H18,,162.140850576,MWKLDMFBNRCDPE,Terpenoids,Sesquiterpenoids,,Santalum album,1028931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Santalum'],['Santalum album'],3,2,7.402117013931274 7817,7353,839,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6982453,ISDB,RBIJNXWWDBHDQS-HXUWFJFHSA-N,"InChI=1S/C20H26O4/c1-18(2)7-6-8-20(5)12-10-14(21)13(19(3,4)24)9-11(12)15(22)16(23)17(18)20/h9-10,21,23-24H,6-8H2,1-5H3/t20-/m1/s1",CC1(C)CCC[C@@]2(C)C1=C(O)C(=O)c1cc(C(C)(C)O)c(O)cc12,C20H26O4,,330.18310931199994,RBIJNXWWDBHDQS,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,11.292981147766113 7818,7352,1332,Terpenoids,Diterpenoids,Labdane diterpenoids,0.27476534,ISDB,FSLWKIHHQUNBQK-AKZLODSSSA-N,"InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,14,17-18,21H,2,5-9,11-13H2,1,3-4H3/b15-10+/t17-,18-,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/CO,C20H32O2,,304.240230264,FSLWKIHHQUNBQK,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,9.599061369895935 7819,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],4,3,8.482662200927734 7820,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,3,8.482662200927734 7821,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.482662200927734 7822,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.482662200927734 7823,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],4,3,8.482662200927734 7824,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],4,3,8.482662200927734 7825,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.482662200927734 7826,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.482662200927734 7827,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],4,3,8.482662200927734 7828,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],4,3,8.482662200927734 7829,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],4,3,8.482662200927734 7830,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],4,3,8.482662200927734 7831,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],4,3,8.482662200927734 7832,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],4,3,8.482662200927734 7833,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],4,3,8.482662200927734 7834,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],4,3,8.482662200927734 7835,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,3,8.482662200927734 7836,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],4,3,8.482662200927734 7837,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,3,8.482662200927734 7838,7351,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.74566555,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],4,3,8.482662200927734 7839,7350,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.29734156,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.689366221427917 7840,7348,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6086293,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.93451714515686 7841,7348,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6086293,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,10.93451714515686 7842,7347,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7068095,ISDB,CTILMUMVHPOCNU-JTQLQIEISA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,2,7.827238082885742 7843,7347,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7068095,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena glaberrima,7603033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena glaberrima'],4,2,7.827238082885742 7844,7347,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7068095,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,2,7.827238082885742 7845,7347,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7068095,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eutrochium fistulosum,681437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eutrochium'],['Eutrochium fistulosum'],4,2,7.827238082885742 7846,7347,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7068095,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis ulicina,7600236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis ulicina'],4,2,7.827238082885742 7847,7347,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7068095,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena,692383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Unknown'],4,2,7.827238082885742 7848,7346,-1,,,,0.716051,ISDB,MLXSCOQFYJPFNW-UHFFFAOYSA-N,"InChI=1S/C8H12N5O/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3/h4H,1-3H3,(H2,9,10,11,14)",CN=c1nc(O)c2c([nH]1)N(C)[CH]N2C,C8H12N5O,,194.104185004,MLXSCOQFYJPFNW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Heterostemma brownii,300835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Ceropegieae'],['Heterostemma'],['Heterostemma brownii'],4,0,6.864203929901123 7849,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],4,3,8.496939659118652 7850,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],4,3,8.496939659118652 7851,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,3,8.496939659118652 7852,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.496939659118652 7853,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.496939659118652 7854,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],4,3,8.496939659118652 7855,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],4,3,8.496939659118652 7856,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.496939659118652 7857,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.496939659118652 7858,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],4,3,8.496939659118652 7859,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],4,3,8.496939659118652 7860,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,3,8.496939659118652 7861,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],4,3,8.496939659118652 7862,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],4,3,8.496939659118652 7863,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],4,3,8.496939659118652 7864,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],4,3,8.496939659118652 7865,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,3,8.496939659118652 7866,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],4,3,8.496939659118652 7867,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],4,3,8.496939659118652 7868,7345,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7492349,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],4,3,8.496939659118652 7869,7344,320,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,BFYWJELXORKNFO-MRVPVSSYSA-N,"InChI=1S/C10H16O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3,8,13H,4-6H2,1-2H3,(H,11,12)/t8-/m1/s1",CC(C)(O)[C@@H]1CC=C(C(=O)O)CC1,C10H16O3,pos_2MHCH3CN,184.109944372,BFYWJELXORKNFO,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,7.5 7870,7343,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38607192,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.04428768157959 7871,7342,-1,,,,0.53499883,ISDB,IOKOUNZOTKHZGX-OASIGRBWSA-N,"InChI=1S/C26H30O6/c1-22(2)16-13-18(28)25(5)15(23(16,3)10-9-17(22)27)8-11-24(4)19(14-7-6-12-30-14)31-21(29)20-26(24,25)32-20/h6-7,9-10,12,15-16,19-20H,8,11,13H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1",CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccco5)OC(=O)[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12,C26H30O6,,438.20423868,IOKOUNZOTKHZGX,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,0,5.139995336532593 7872,7341,267,Terpenoids,Diterpenoids,Abietane diterpenoids,0.63526076,ISDB,GQRUHVMVWNKUFW-YSTOQKLRSA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19+,20-/m1/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CO)CCC[C@]3(C)[C@@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.041043043136597 7873,7341,267,Terpenoids,Diterpenoids,Abietane diterpenoids,0.63526076,ISDB,GQRUHVMVWNKUFW-YSTOQKLRSA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19+,20-/m1/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CO)CCC[C@]3(C)[C@@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,10.041043043136597 7874,7340,713,Terpenoids,Steroids,Androstane steroids,0.6536153,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.114461183547974 7875,7338,563,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,KYKMYFAIOWJUNN-UDWZXLHVSA-N,"InChI=1S/C30H44O6/c1-15(10-17-11-16(2)26(35)36-17)18-8-9-28(5)24-19(31)12-21-27(3,4)22(33)13-23(34)30(21,7)25(24)20(32)14-29(18,28)6/h11,15,17-18,20-23,32-34H,8-10,12-14H2,1-7H3/t15-,17-,18-,20-,21+,22-,23+,28+,29-,30-/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C([C@H](O)C[C@]23C)[C@@]2(C)[C@@H](O)C[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H44O6,pos_2MCa,500.313789128,KYKMYFAIOWJUNN,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,3,7.5 7876,7337,-1,,,,0.4721037,ISDB,RFOCIKIRPCYOTG-QYYSKZFYSA-N,"InChI=1S/C24H32O6/c1-11(2)24-12(25)10-22(5,28)17(24)13-14(19(24)26)23-9-7-8-21(3,4)18(23)16(15(13)29-6)30-20(23)27/h11,15-18,28H,7-10H2,1-6H3/t15-,16+,17-,18-,22-,23-,24+/m0/s1",CO[C@H]1C2=C(C(=O)[C@]3(C(C)C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C24H32O6,,416.219888744,RFOCIKIRPCYOTG,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia apiana,466625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia apiana'],3,0,4.888414740562439 7877,7336,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62258595,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,0,4.490343809127808 7878,7336,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62258595,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,0,4.490343809127808 7879,7332,2900,,,,0.0,MS1_match,GTLGHKNKLRZSMO-QMMMGPOBSA-N,"InChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3/t8-/m0/s1",COc1cc(CC[C@H](C)O)ccc1O,C11H16O3,pos_2MNa,196.109944372,GTLGHKNKLRZSMO,,,,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 7880,7331,-1,,,,0.22862986,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.914519429206848 7881,7331,-1,,,,0.22862986,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.914519429206848 7882,7330,-1,,,,0.50868154,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,7.034726142883301 7883,7329,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_2MH,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 7884,7328,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5060145,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,10.524058103561401 7885,7328,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5060145,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.524058103561401 7886,7327,1290,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_2MNa,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,8.5 7887,7327,1290,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_2MNa,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,8.5 7888,7326,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.559451,ISDB,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.737803936004639 7889,7325,-1,,,,0.62983775,ISDB,SZJNCZMRZAUNQT-BDAKNGLRSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m1/s1",CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],3,0,5.519351005554199 7890,7325,-1,,,,0.62983775,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,0,5.519351005554199 7891,7325,-1,,,,0.62983775,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],3,0,5.519351005554199 7892,7323,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 7893,7323,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 7894,7323,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 7895,7323,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 7896,7323,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 7897,7322,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8231366,ISDB,WKQNRCYKYCKESD-YVHLTTHBSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.792546510696411 7898,7322,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.8231366,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.792546510696411 7899,7321,1085,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.42540705,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,2,9.7016282081604 7900,7318,501,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5093947,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.537578821182251 7901,7318,501,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5093947,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.537578821182251 7902,7317,501,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5145497,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.558198690414429 7903,7316,3066,Polyketides,Alkylresorcinols,Monoalkylresorcinols,0.24702577,ISDB,RFXJKCXWJAFPEB-UHFFFAOYSA-N,"InChI=1S/C21H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(17-19)26-27(23,24)25/h16-18,22H,2-15H2,1H3,(H,23,24,25)",CCCCCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1,C21H36O5S,,400.228345252,RFXJKCXWJAFPEB,Polyketides,Alkylresorcinols,Monoalkylresorcinols,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.4881030917167664 7904,7315,-1,,,,0.80105746,ISDB,UEAPOVJEVUNJHK-PWSUYJOCSA-N,"InChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4,6,8,10,12H,5,7H2,1-3H3/t10-,12+/m1/s1",CC1=CC[C@@H]2C(=C1)c1c(C)coc1C[C@H]2C,C15H18O,,214.135765196,UEAPOVJEVUNJHK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,0,7.204229831695557 7905,7313,1598,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.39904568,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,9.096182703971863 7906,7311,1598,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.3830718,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.032287240028381 7907,7311,1598,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.3830718,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,3,10.032287240028381 7908,7310,206,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.3096445,ISDB,VFFXVAIWQNEQSG-KDMTZKAISA-N,"InChI=1S/C27H36O6/c1-7-20(28)19-14-22(30)33-27-18(12-11-17(6)10-8-9-15(2)3)25(31)24(26(32)23(19)27)21(29)13-16(4)5/h9,11,14,16,20,28,31-32H,7-8,10,12-13H2,1-6H3/b17-11+/t20-/m0/s1",CC[C@H](O)c1cc(=O)oc2c(C/C=C(\C)CCC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c12,C27H36O6,,456.2511888719999,VFFXVAIWQNEQSG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mesua assamica,6099113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Kayea'],['Kayea assamica'],3,3,5.738577961921692 7909,7308,-1,,,,0.0,MS1_match,PDGJMGSNVOPQRK-BARLUBHISA-N,"InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,10,13-14H,1,4-5,7-9H2,2-3H3/b12-6+/t13-,14-/m1/s1",C=C1CC/C=C(/C=O)CC[C@@H]2[C@@H]1CC2(C)C,C15H22O,pos_2MH,218.167065324,PDGJMGSNVOPQRK,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 7910,7307,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48948672,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.45794689655304 7911,7306,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6855046,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.742018461227417 7912,7304,-1,,,,0.31037238,ISDB,ALUMZZCQCVEYER-BDCMJAOXSA-N,"InChI=1S/C23H32O5/c1-19(2)15(25)7-6-14-22-11-10-20(3)16(26)8-9-21(20,4)17(22)13(24)12-23(14,19)28-18(22)27-5/h14,17-18H,6-12H2,1-5H3/t14-,17-,18+,20+,21-,22+,23+/m0/s1",CO[C@@H]1O[C@]23CC(=O)[C@@H]4[C@@]1(CC[C@]1(C)C(=O)CC[C@@]41C)[C@@H]2CCC(=O)C3(C)C,C23H32O5,,388.224974124,ALUMZZCQCVEYER,Terpenoids,Triterpenoids,,Momordica charantia,955521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Momordiceae'],['Momordica'],['Momordica charantia'],3,0,4.24148952960968 7913,7303,3066,Polyketides,Alkylresorcinols,Monoalkylresorcinols,0.22524717,ISDB,RFXJKCXWJAFPEB-UHFFFAOYSA-N,"InChI=1S/C21H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(17-19)26-27(23,24)25/h16-18,22H,2-15H2,1H3,(H,23,24,25)",CCCCCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1,C21H36O5S,,400.228345252,RFXJKCXWJAFPEB,Polyketides,Alkylresorcinols,Monoalkylresorcinols,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.4009886980056763 7914,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.366705417633057 7915,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.366705417633057 7916,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.366705417633057 7917,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.366705417633057 7918,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.366705417633057 7919,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.366705417633057 7920,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.366705417633057 7921,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.366705417633057 7922,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.366705417633057 7923,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.366705417633057 7924,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.366705417633057 7925,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.366705417633057 7926,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.366705417633057 7927,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.366705417633057 7928,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.366705417633057 7929,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.366705417633057 7930,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.366705417633057 7931,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.366705417633057 7932,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.366705417633057 7933,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.366705417633057 7934,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.366705417633057 7935,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.366705417633057 7936,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.366705417633057 7937,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.366705417633057 7938,7302,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46667635,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.366705417633057 7939,7300,-1,,,,0.349531,ISDB,BPVLHHCARIEPNP-HROONELDSA-N,"InChI=1S/C20H34O2/c1-7-19(5,22)12-10-15-14(2)8-9-16-18(3,4)17(21)11-13-20(15,16)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17-,19+,20+/m0/s1",C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C,C20H34O2,,306.255880328,BPVLHHCARIEPNP,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,0,8.398123979568481 7940,7299,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.50571984,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.522879362106323 7941,7298,295,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5268313,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.607325315475464 7942,7298,295,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5268313,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.607325315475464 7943,7297,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5166205,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.566482067108154 7944,7297,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5166205,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.566482067108154 7945,7295,-1,,,,0.5577728,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,8.231091260910034 7946,7295,-1,,,,0.5577728,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,8.231091260910034 7947,7295,-1,,,,0.5577728,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,8.231091260910034 7948,7295,-1,,,,0.5577728,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,8.231091260910034 7949,7294,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.66822267,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.172890663146973 7950,7294,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.66822267,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.172890663146973 7951,7293,-1,,,,0.5997666,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,0,5.39906644821167 7952,7292,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5043381,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.51735234260559 7953,7292,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5043381,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.51735234260559 7954,7290,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6483015,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.09320592880249 7955,7290,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6483015,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.09320592880249 7956,7290,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6483015,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.09320592880249 7957,7290,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6483015,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.09320592880249 7958,7290,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6483015,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.09320592880249 7959,7289,-1,,,,0.2161823,ISDB,ZJPLPNZOEWUQNS-ALGQRKQJSA-N,"InChI=1S/C21H34O2/c1-7-19(4,23)14-11-17-15(2)9-10-18-20(5,16(3)22)12-8-13-21(17,18)6/h7,17-18,23H,1-2,8-14H2,3-6H3/t17-,18-,19-,20+,21+/m0/s1",C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(C)=O,C21H34O2,,318.255880328,ZJPLPNZOEWUQNS,Terpenoids,Diterpenoids,Labdane diterpenoids,Chamaecyparis lawsoniana,582844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis lawsoniana'],5,0,5.864729225635529 7960,7288,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5198521,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.579408407211304 7961,7288,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5198521,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.579408407211304 7962,7286,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7362122,ISDB,GJXHDHSFRNFOKH-GKPQQFFGSA-N,"InChI=1S/C21H32O3/c1-13(2)14-7-8-16-19(3)10-6-11-20(4,18(22)23-5)15(19)9-12-21(16)17(14)24-21/h7,13,15-17H,6,8-12H2,1-5H3/t15-,16+,17-,19-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC=C(C(C)C)[C@@H]4O[C@]34CC[C@@H]21,C21H32O3,,332.235144884,GJXHDHSFRNFOKH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,3,9.444848775863647 7963,7285,-1,,,,0.725061,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],3,0,5.9002439975738525 7964,7285,-1,,,,0.725061,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],3,0,5.9002439975738525 7965,7283,967,Terpenoids,Small peptides,Aminoacids,0.7274834,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],3,1,6.409933567047119 7966,7283,967,Terpenoids,Small peptides,Aminoacids,0.7274834,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],3,1,6.409933567047119 7967,7283,967,Terpenoids,Small peptides,Aminoacids,0.7274834,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Acca sellowiana,9529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Acca'],['Acca sellowiana'],3,1,6.409933567047119 7968,7283,967,Terpenoids,Small peptides,Aminoacids,0.7274834,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,1,6.409933567047119 7969,7283,967,Terpenoids,Small peptides,Aminoacids,0.7274834,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,1,6.409933567047119 7970,7283,967,Terpenoids,Small peptides,Aminoacids,0.7274834,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,1,6.409933567047119 7971,7283,967,Terpenoids,Small peptides,Aminoacids,0.7274834,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],3,1,6.409933567047119 7972,7283,967,Terpenoids,Small peptides,Aminoacids,0.7274834,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],3,1,6.409933567047119 7973,7282,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6458335,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.083333969116211 7974,7282,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6458335,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.083333969116211 7975,7282,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6458335,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.083333969116211 7976,7282,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6458335,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.083333969116211 7977,7282,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6458335,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.083333969116211 7978,7279,801,Terpenoids,Triterpenoids,Limonoids,0.47231987,ISDB,,,,,,,PPANCHFCINNDOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8892794847488403 7979,7277,713,Terpenoids,Steroids,Androstane steroids,0.64702874,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.088114976882935 7980,7276,2424,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.5594858,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.737943172454834 7981,7274,3485,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.62386876,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,6.9954750537872314 7982,7273,3550,,,,0.59210044,ISDB,,,,,,,OQTZWGFOIGGWFC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3684017658233643 7983,7271,1208,,,,0.0,MS1_match,YCRUHXDBZDORLV-PVFXMYQXSA-N,"InChI=1S/C25H40O5/c26-20-10-6-3-1-2-4-8-12-24(13-9-5-7-11-21-27)30-25(29)19-16-22-14-17-23(28)18-15-22/h14-19,24,26-28H,1-13,20-21H2/b19-16-/t24-/m1/s1",O=C(/C=C\c1ccc(O)cc1)O[C@@H](CCCCCCO)CCCCCCCCCO,C25H40O5,pos_1_1sodium,420.28757438,YCRUHXDBZDORLV,,,,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 7984,7266,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39442098,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.077683925628662 7985,7266,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39442098,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.077683925628662 7986,7266,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39442098,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.077683925628662 7987,7266,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39442098,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.077683925628662 7988,7266,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39442098,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.077683925628662 7989,7265,1227,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.6833921,ISDB,PVJKHWJZXRQYBT-CYBMUJFWSA-N,"InChI=1S/C19H24O2/c1-10(2)12-9-11-5-6-13-16-14(7-8-19(13,3)4)21-18(15(11)16)17(12)20/h9-10,13,20H,5-8H2,1-4H3/t13-/m1/s1",CC(C)c1cc2c3c4c(oc3c1O)CCC(C)(C)[C@@H]4CC2,C19H24O2,,284.177630008,PVJKHWJZXRQYBT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia,374096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Unknown'],3,3,7.233568429946899 7990,7261,-1,,,,0.37151122,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,4.486044883728027 7991,7260,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,ONHZXSHEAKBBMW-IBGZPJMESA-N,"InChI=1S/C19H30O3/c1-14(2)19(22)12-11-18(21)17(13-19)10-6-8-15(3)7-5-9-16(4)20/h8,13-14,22H,5-7,9-12H2,1-4H3/t19-/m0/s1",CC(=O)CCCC(C)=CCCC1=C[C@](O)(C(C)C)CCC1=O,C19H30O3,pos_1_1proton1dmso,306.21949482,ONHZXSHEAKBBMW,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Abies forrestii,200121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies forrestii'],6,2,7.0 7992,7259,3485,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.5777829,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,6.811131715774536 7993,7258,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.23325104,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,3.933004140853882 7994,7257,-1,,,,0.29146835,ISDB,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,0,6.165873408317566 7995,7256,1064,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.50758475,ISDB,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.530339002609253 7996,7256,1064,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.50758475,ISDB,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,9.530339002609253 7997,7256,1064,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.50758475,ISDB,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.530339002609253 7998,7256,1064,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.50758475,ISDB,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.530339002609253 7999,7254,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91476715,ISDB,JNVXYCUYUJCFHK-HNNXBMFYSA-N,"InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-13(19)16-14(22-15)8-7-12(18)17(16)21-2/h3-8,15,18H,9H2,1-2H3/t15-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(ccc(O)c3OC)O2)cc1,C17H16O5,,300.099773612,JNVXYCUYUJCFHK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Mimosa tenuiflora,530242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Mimosa'],['Mimosa tenuiflora'],4,3,9.159068584442139 8000,7253,2297,,,,0.53818923,ISDB,YCRUHXDBZDORLV-PVFXMYQXSA-N,"InChI=1S/C25H40O5/c26-20-10-6-3-1-2-4-8-12-24(13-9-5-7-11-21-27)30-25(29)19-16-22-14-17-23(28)18-15-22/h14-19,24,26-28H,1-13,20-21H2/b19-16-/t24-/m1/s1",O=C(/C=C\c1ccc(O)cc1)O[C@@H](CCCCCCO)CCCCCCCCCO,C25H40O5,,420.28757438,YCRUHXDBZDORLV,,,,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.152756929397583 8001,7252,-1,,,,0.0,MS1_match,WBITZIQWEJYFNO-GSNQANGESA-N,"InChI=1S/C33H44O11/c1-29(2)15-7-8-20-30(3)12-17(35)26(33(6)21(36)9-10-42-33)31(30,4)13-22(37)32(20,5)16(15)11-18(27(29)41)43-28-25(40)24(39)23(38)19(14-34)44-28/h7,9-11,16-17,19-20,23-26,28,34-35,38-40H,8,12-14H2,1-6H3/t16-,17-,19-,20+,23-,24+,25-,26+,28-,30+,31-,32+,33+/m1/s1",CC1(C)C(=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2C1=CC[C@@H]1[C@@]2(C)C(=O)C[C@]2(C)[C@@H]([C@@]3(C)OC=CC3=O)[C@H](O)C[C@@]12C,C33H44O11,pos_1_1proton2acetonitrile,616.2883622279999,WBITZIQWEJYFNO,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Machilus,141165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Unknown'],6,0,6.0 8002,7250,227,Fatty acids,Diterpenoids,Fatty alcohols,0.6586331,ISDB,GGJRAQULURVTAJ-LVTNFWOSSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H36O4,,352.261359632,GGJRAQULURVTAJ,Fatty acids,Glycerolipids,Monoacylglycerols,Adenocaulon himalaicum,935632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Adenocaulon'],['Adenocaulon himalaicum'],4,1,7.134532451629639 8003,7250,227,Fatty acids,Diterpenoids,Fatty alcohols,0.6586331,ISDB,GGJRAQULURVTAJ-LVTNFWOSSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H36O4,,352.261359632,GGJRAQULURVTAJ,Fatty acids,Glycerolipids,Monoacylglycerols,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,1,7.134532451629639 8004,7248,-1,,,,0.605767,ISDB,SWTZTWQASUSBIY-SMMRIJLZSA-N,"InChI=1S/C20H32O2/c1-13(2)20(22)10-7-15-14(12-20)16(21)11-17-18(3,4)8-6-9-19(15,17)5/h12-13,15,17,22H,6-11H2,1-5H3/t15-,17-,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,SWTZTWQASUSBIY,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.423068046569824 8005,7247,1103,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.3801486,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,6.020594358444214 8006,7246,1848,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5914,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.865600109100342 8007,7246,1848,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5914,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,3,8.865600109100342 8008,7244,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51440144,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,8.557605743408203 8009,7244,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51440144,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,8.557605743408203 8010,7244,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51440144,ISDB,HUMGJQLBBAYPNM-HXUWFJFHSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Taxodium distichum,538146.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Taxodium distichum'],5,3,8.557605743408203 8011,7244,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51440144,ISDB,HUMGJQLBBAYPNM-UHFFFAOYSA-N,"InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-12,21H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=O,C20H26O2,,298.193280072,HUMGJQLBBAYPNM,Terpenoids,Diterpenoids,Abietane diterpenoids,Taxodium,652337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taxodium'],['Unknown'],5,3,8.557605743408203 8012,7243,1103,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.40481973,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,6.119278907775879 8013,7239,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,MNUNUJQYFJZRHQ-VZLLCJDWSA-N,"InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C39H54O6,pos_1_minus1proton1calcium,618.392039448,MNUNUJQYFJZRHQ,Terpenoids,Triterpenoids,Lupane triterpenoids,Pyracantha crenulata,944497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha crenulata'],6,1,6.5 8014,7239,57,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,YZDQDCHESVQFNC-PQBXVMOBSA-N,"InChI=1S/C39H54O6/c1-23-12-17-39(34(43)44)19-18-37(6)28(33(39)24(23)2)9-10-30-36(5)15-14-31(35(3,4)29(36)13-16-38(30,37)7)45-32(42)11-8-25-20-26(40)22-27(41)21-25/h8-9,11,20-24,29-31,33,40-41H,10,12-19H2,1-7H3,(H,43,44)/b11-8+/t23-,24+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6cc(O)cc(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C39H54O6,pos_1_minus1proton1calcium,618.392039448,YZDQDCHESVQFNC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Chaenomeles japonica,852470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles japonica'],6,1,6.5 8015,7238,92,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5313159,ISDB,OHVRXOLZRGEGJQ-GVOJMRIRSA-N,"InChI=1S/C21H28O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h6-8,10,14,16,18,22H,3-5,9,11-13H2,1-2H3/t14-,16-,18+,19-,20+,21+/m1/s1",CO[C@]1(CO)C[C@@]23CC[C@@H]4c5ccoc5C=C[C@@]4(C)[C@@H]2CC[C@@H]1C3,C21H28O3,,328.203844756,OHVRXOLZRGEGJQ,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Coffea stenophylla,227654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea stenophylla'],3,2,6.125263690948486 8016,7236,206,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.23014095,ISDB,YNPIUSPLDNMPCQ-KDMTZKAISA-N,"InChI=1S/C27H36O6/c1-7-20(28)19-14-22(30)33-27-23(19)25(31)18(12-11-17(6)10-8-9-15(2)3)26(32)24(27)21(29)13-16(4)5/h9,11,14,16,20,28,31-32H,7-8,10,12-13H2,1-6H3/b17-11+/t20-/m0/s1",CC[C@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c12,C27H36O6,,456.2511888719999,YNPIUSPLDNMPCQ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mammea siamensis,885606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Mammea'],['Mammea siamensis'],3,3,5.420563817024231 8017,7234,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.38858858,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.054354310035706 8018,7232,3009,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.7073839,ISDB,ROIPFIPZYGGKEB-VBCZDQSUSA-N,"InChI=1S/C14H20O/c1-9-10-6-7-14(8-10)11(13(9,2)3)4-5-12(14)15/h10-11H,1,4-8H2,2-3H3/t10-,11?,14-/m1/s1",C=C1[C@@H]2CC[C@]3(C2)C(=O)CCC3C1(C)C,C14H20O,,204.15141526,ROIPFIPZYGGKEB,Terpenoids,Sesquiterpenoids,Prezizaane sesquiterpenoids,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],4,2,7.829535484313965 8019,7231,-1,,,,0.3244891,ISDB,CWAOGZPLZOJEGU-QAGYORLGSA-N,"InChI=1S/C15H16/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-4,6,9,11,13,15H,1,5,7H2,2H3/b6-4+,11-9+,15-13+",C=CCC/C=C/C=C/C#CC#C/C=C/C,C15H16,,196.125200512,CWAOGZPLZOJEGU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Cotula bipinnata,5920595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cotula'],['Cotula bipinnata'],4,0,5.297956347465515 8020,7230,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KJCVRFUGPWSIIH-UHFFFAOYSA-N,"InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",Oc1cccc2ccccc12,C10H8O,pos_1_1proton1methanol,144.057514876,KJCVRFUGPWSIIH,Polyketides,Naphthalenes,Naphthalenes and derivatives,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,0,7.0 8021,7229,-1,,,,0.6810354,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7241415977478027 8022,7226,-1,,,,0.0,MS1_match,GTLGHKNKLRZSMO-QMMMGPOBSA-N,"InChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3/t8-/m0/s1",COc1cc(CC[C@H](C)O)ccc1O,C11H16O3,pos_2MK,196.109944372,GTLGHKNKLRZSMO,,,,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 8023,7225,2900,,,,0.0,MS1_match,GTLGHKNKLRZSMO-QMMMGPOBSA-N,"InChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3/t8-/m0/s1",COc1cc(CC[C@H](C)O)ccc1O,C11H16O3,pos_2MNa,196.109944372,GTLGHKNKLRZSMO,,,,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 8024,7224,320,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,BFYWJELXORKNFO-MRVPVSSYSA-N,"InChI=1S/C10H16O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3,8,13H,4-6H2,1-2H3,(H,11,12)/t8-/m1/s1",CC(C)(O)[C@@H]1CC=C(C(=O)O)CC1,C10H16O3,pos_2MHCH3CN,184.109944372,BFYWJELXORKNFO,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,7.5 8025,7223,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6869424,ISDB,HRYLQFBHBWLLLL-AHNJNIBGSA-N,"InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]12,C15H20O2,,232.14632988,HRYLQFBHBWLLLL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,2,11.747769594192505 8026,7222,2377,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.6860584,ISDB,BZQURGSQMBBPRU-ZFWWWQNUSA-N,"InChI=1S/C15H18O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h4,6,9,13H,1,5,7-8H2,2-3H3/t13-,15-/m0/s1",C=C1CC=C[C@@]2(C)Cc3occ(C)c3C[C@@H]12,C15H18O,,214.135765196,BZQURGSQMBBPRU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,3,10.24423360824585 8027,7221,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6757564,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.203025579452515 8028,7221,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6757564,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.203025579452515 8029,7218,-1,,,,0.95469993,ISDB,UNNXMCWXOOFOBL-HVVIKVJSSA-N,"InChI=1S/C30H46O4/c1-16(2)22-18-14-17(3)23-26(6)12-13-29-15-28(29)11-10-21(31)25(4,5)19(28)8-9-20(29)27(26,7)24(32)30(23,33-18)34-22/h17-24,31-32H,1,8-15H2,2-7H3/t17-,18-,19+,20+,21+,22+,23-,24-,26-,27-,28-,29+,30-/m1/s1",C=C(C)[C@@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O,C30H46O4,,470.33960995199993,UNNXMCWXOOFOBL,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Actaea yunnanensis,512689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea yunnanensis'],4,0,7.818799734115601 8030,7217,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.692343,ISDB,HRYLQFBHBWLLLL-BOHUOVHSSA-N,"InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9?/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2C=C(C)CC/C=C(\C)CC[C@@H]12,C15H20O2,,232.14632988,HRYLQFBHBWLLLL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,2,10.76937198638916 8031,7217,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.692343,ISDB,HRYLQFBHBWLLLL-AHNJNIBGSA-N,"InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]12,C15H20O2,,232.14632988,HRYLQFBHBWLLLL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,2,10.76937198638916 8032,7216,2377,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.6888638,ISDB,BZQURGSQMBBPRU-ZFWWWQNUSA-N,"InChI=1S/C15H18O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h4,6,9,13H,1,5,7-8H2,2-3H3/t13-,15-/m0/s1",C=C1CC=C[C@@]2(C)Cc3occ(C)c3C[C@@H]12,C15H18O,,214.135765196,BZQURGSQMBBPRU,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,3,10.255455255508423 8033,7215,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6776872,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.21074891090393 8034,7215,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6776872,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.21074891090393 8035,7214,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.32277915,ISDB,ISCHCBAXHSLKOZ-XBXARRHUSA-N,"InChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13)/b8-4+",O=C(O)CC/C=C/c1ccccc1,C11H12O2,,176.083729624,ISCHCBAXHSLKOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,0,7.2911165952682495 8036,7211,-1,,,,0.29143694,ISDB,AACOWOOKWQCRBQ-UHFFFAOYSA-N,"InChI=1S/C20H37NO3/c1-16(22)12-10-8-6-4-5-7-9-11-13-19-14-15-20(17(2)21-19)24-18(3)23/h17,19-21H,4-15H2,1-3H3",CC(=O)CCCCCCCCCCC1CCC(OC(C)=O)C(C)N1,C20H37NO3,,339.277344044,AACOWOOKWQCRBQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],3,0,4.165747761726379 8037,7205,-1,,,,0.3272447,ISDB,,,,,,,KUOWDMBZTRBDRI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.308978796005249 8038,7204,-1,,,,0.7108503,ISDB,SWTZTWQASUSBIY-SMMRIJLZSA-N,"InChI=1S/C20H32O2/c1-13(2)20(22)10-7-15-14(12-20)16(21)11-17-18(3,4)8-6-9-19(15,17)5/h12-13,15,17,22H,6-11H2,1-5H3/t15-,17-,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,SWTZTWQASUSBIY,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.843401193618774 8039,7202,2010,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4982143,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.492857217788696 8040,7201,-1,,,,0.74539226,ISDB,WKQNRCYKYCKESD-YVHLTTHBSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.981569051742554 8041,7201,-1,,,,0.74539226,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,6.981569051742554 8042,7200,-1,,,,0.75799936,ISDB,WKQNRCYKYCKESD-YVHLTTHBSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,7.031997442245483 8043,7200,-1,,,,0.75799936,ISDB,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,7.031997442245483 8044,7198,-1,,,,0.56953764,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,8.27815055847168 8045,7196,1326,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.628863,ISDB,AIFCFBUSLAEIBR-UHFFFAOYSA-N,"InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3",COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1,C32H22O10,,566.1212969039999,AIFCFBUSLAEIBR,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,11.015451908111572 8046,7195,3221,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4130771,ISDB,PIJPSWNOKIPSCP-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,16-17,20-21H,5,8-9,11H2,1-4H3",CC(C)c1ccc2c(c1)C(O)CC1C(C)(O)CCCC21C,C19H28O2,,288.208930136,PIJPSWNOKIPSCP,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.152308344841003 8047,7193,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,BLKMDORKRDACEI-OVKLUEDNSA-N,"InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21)/t9-,10-,11+,12-,15+/m1/s1",COc1cc(C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H20O10,pos_1_1proton1methanol,360.1056468399999,BLKMDORKRDACEI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 8048,7193,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1isopropanol,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 8049,7193,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1isopropanol,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8050,7192,1621,Terpenoids,,,0.53222984,ISDB,ZWJBVZKAYJMZCN-FUIKODFDSA-N,"InChI=1S/C23H30O5/c1-5-6-7-8-9-19(22(24)25)16(4)23(26)27-14-17-10-11-20-18(12-17)13-21(28-20)15(2)3/h9-12,16,21H,2,5-8,13-14H2,1,3-4H3,(H,24,25)/b19-9-/t16-,21-/m0/s1",C=C(C)[C@@H]1Cc2cc(COC(=O)[C@@H](C)/C(=C/CCCCC)C(=O)O)ccc2O1,C23H30O5,,386.20932406,ZWJBVZKAYJMZCN,Terpenoids,,,Xylaria,44251.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Xylaria'],['Unknown'],1,1,3.6289193630218506 8051,7191,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CECREIRZLPLYDM-RAUXBKROSA-N,"InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1",C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C,C20H34O,pos_2_1iron,290.260965708,CECREIRZLPLYDM,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,1,7.5 8052,7191,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,FUOYNUQYIXMTMU-AKUQYVLISA-N,"InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9-10,16-17,21H,8,11-14H2,1-6H3/b10-9+,15-7+",C/C=C(C)/C=C/C1C(C)(O)CCC2C(C)(C)CCCC21C,C20H34O,pos_2_1iron,290.260965708,FUOYNUQYIXMTMU,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,1,7.5 8053,7189,1621,Terpenoids,,,0.5533386,ISDB,ZWJBVZKAYJMZCN-FUIKODFDSA-N,"InChI=1S/C23H30O5/c1-5-6-7-8-9-19(22(24)25)16(4)23(26)27-14-17-10-11-20-18(12-17)13-21(28-20)15(2)3/h9-12,16,21H,2,5-8,13-14H2,1,3-4H3,(H,24,25)/b19-9-/t16-,21-/m0/s1",C=C(C)[C@@H]1Cc2cc(COC(=O)[C@@H](C)/C(=C/CCCCC)C(=O)O)ccc2O1,C23H30O5,,386.20932406,ZWJBVZKAYJMZCN,Terpenoids,,,Xylaria,44251.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Xylaria'],['Unknown'],1,1,3.7133543491363525 8054,7188,2094,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5326365,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,3,6.6305460929870605 8055,7187,-1,,,,0.41610855,ISDB,FZNYZIIFIIKWRM-OLYZYIJMSA-N,"InChI=1S/C40H54O4/c1-25-11-17-31-37(3,4)19-9-21-39(31,7)29(25)15-13-27-23-43-35(41)33(27)34-28(24-44-36(34)42)14-16-30-26(2)12-18-32-38(5,6)20-10-22-40(30,32)8/h13-16,29-32H,1-2,9-12,17-24H2,3-8H3/b15-13+,16-14+/t29-,30-,31-,32-,39+,40+/m0/s1",C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C(C2=C(/C=C/[C@H]3C(=C)CC[C@H]4C(C)(C)CCC[C@]34C)COC2=O)C(=O)OC1,C40H54O4,,598.4022102079999,FZNYZIIFIIKWRM,Terpenoids,Sesquiterpenoids,,Alpinia pahangensis,3945930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia pahangensis'],4,0,5.664434194564819 8056,7186,161,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.68494517,ISDB,PCLDEDSUWNZZDJ-BDBJVFIPSA-N,"InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16+,17-,19-,20+/m1/s1",C=C1CC[C@H]2[C@@]3(C)C[C@H]3CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O2,,302.2245802,PCLDEDSUWNZZDJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,11.23978066444397 8057,7185,-1,,,,0.72493255,ISDB,UPGREHAFOATQFI-GGURZLOHSA-N,"InChI=1S/C19H28O3/c1-11(2)19-9-6-13-12(16(19)22-19)10-14(20)15-17(13,3)7-5-8-18(15,4)21/h10-11,13,15-16,21H,5-9H2,1-4H3/t13-,15+,16-,17+,18-,19-/m0/s1",CC(C)[C@@]12CC[C@H]3C(=CC(=O)[C@@H]4[C@]3(C)CCC[C@]4(C)O)[C@@H]1O2,C19H28O3,,304.203844756,UPGREHAFOATQFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],3,0,5.899730205535889 8058,7184,2094,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51125914,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,3,6.545036554336548 8059,7183,-1,,,,0.31295335,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,7.2518134117126465 8060,7183,-1,,,,0.31295335,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,7.2518134117126465 8061,7183,-1,,,,0.31295335,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.2518134117126465 8062,7183,-1,,,,0.31295335,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,7.2518134117126465 8063,7182,795,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,MOYFRUOSASPJJM-ADGPFQHRSA-N,"InChI=1S/C26H40O3/c1-16(15-22(28)29)17-9-13-26(6)19-7-8-20-23(2,3)21(27)11-12-24(20,4)18(19)10-14-25(17,26)5/h7,16-18,20H,8-15H2,1-6H3,(H,28,29)/t16-,17-,18-,20+,24-,25-,26+/m1/s1",C[C@H](CC(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,C26H40O3,pos_2MCa,400.29774514,MOYFRUOSASPJJM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 8064,7181,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8065,7181,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8066,7181,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8067,7181,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8068,7181,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8069,7180,1470,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7394593,ISDB,ROWAYMVYPPFJTI-DNUFPCGRSA-N,"InChI=1S/C20H30O3/c1-5-17(2)10-7-14-18(3)8-6-9-19(4)15(18)13(23-16(19)21)11-20(14,22)12-17/h5,13-15,22H,1,6-12H2,2-4H3/t13-,14+,15+,17-,18+,19+,20-/m0/s1",C=C[C@@]1(C)CC[C@H]2[C@](O)(C[C@@H]3OC(=O)[C@]4(C)CCC[C@@]2(C)[C@@H]34)C1,C20H30O3,,318.21949482,ROWAYMVYPPFJTI,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Tetraclinis articulata,194278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Tetraclinis'],['Tetraclinis articulata'],5,2,8.957837104797363 8070,7179,-1,,,,0.50423044,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,8.016921758651733 8071,7177,1018,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4884487,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.453794836997986 8072,7175,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5313261,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.625304460525513 8073,7175,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5313261,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.625304460525513 8074,7174,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51973164,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.57892656326294 8075,7172,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_2MH,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 8076,7172,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-AATRIKPKSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",O=C(O)/C=C/c1ccccc1O,C9H8O3,pos_2MH,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 8077,7168,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51104146,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.544165849685669 8078,7168,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.51104146,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.544165849685669 8079,7166,-1,,,,0.0,MS1_match,OJKCYERWEGKEIS-SNVBAGLBSA-N,"InChI=1S/C11H12O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1",O=C1CC[C@H](Cc2ccccc2)O1,C11H12O2,pos_1_1proton1isopropanol,176.083729624,OJKCYERWEGKEIS,Shikimates and Phenylpropanoids,,,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,0,6.0 8080,7165,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 8081,7165,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 8082,7165,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 8083,7165,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 8084,7165,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 8085,7162,-1,,,,0.34886798,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.395471930503845 8086,7162,-1,,,,0.34886798,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,0,6.395471930503845 8087,7161,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4403609,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.261443614959717 8088,7157,-1,,,,0.3377146,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.350858449935913 8089,7155,-1,,,,0.28967908,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.158716320991516 8090,7152,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4757872,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.403148770332336 8091,7152,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4757872,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.403148770332336 8092,7151,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.48560476,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,3,6.442419052124023 8093,7151,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.48560476,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.442419052124023 8094,7150,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4104388,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.141755223274231 8095,7149,1686,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53365743,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.634629726409912 8096,7147,267,Terpenoids,Diterpenoids,Abietane diterpenoids,0.62626123,ISDB,GQRUHVMVWNKUFW-YSTOQKLRSA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19+,20-/m1/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CO)CCC[C@]3(C)[C@@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.005044937133789 8097,7146,-1,,,,0.0,MS1_match,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,pos_1_1proton1methanol,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 8098,7146,-1,,,,0.0,MS1_match,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,pos_1_1proton1methanol,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 8099,7145,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.57778174,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.811126947402954 8100,7143,54,Alkaloids,Diterpenoids,Cassane diterpenoids,0.89583594,ISDB,NEDKGJGWOHMJIS-OKYOBFRVSA-N,"InChI=1S/C19H26N2/c1-2-18-8-5-12-21-13-11-19(10-9-18)16(17(18)21)14-6-3-4-7-15(14)20-19/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3/t16-,17-,18+,19-/m0/s1",CC[C@@]12CCCN3CC[C@]4(CC1)Nc1ccccc1[C@H]4[C@H]32,C19H26N2,,282.209598832,NEDKGJGWOHMJIS,Alkaloids,Tryptophan alkaloids,Aspidosperma type,Melodinus celastroides,6067856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Melodineae'],['Melodinus'],['Melodinus celastroides'],3,1,7.083343744277954 8101,7141,1227,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.67234343,ISDB,PVJKHWJZXRQYBT-CYBMUJFWSA-N,"InChI=1S/C19H24O2/c1-10(2)12-9-11-5-6-13-16-14(7-8-19(13,3)4)21-18(15(11)16)17(12)20/h9-10,13,20H,5-8H2,1-4H3/t13-/m1/s1",CC(C)c1cc2c3c4c(oc3c1O)CCC(C)(C)[C@@H]4CC2,C19H24O2,,284.177630008,PVJKHWJZXRQYBT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia,374096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Unknown'],3,3,7.189373731613159 8102,7140,801,Terpenoids,Triterpenoids,Limonoids,0.459356,ISDB,,,,,,,PPANCHFCINNDOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8374240398406982 8103,7139,-1,,,,0.6537674,ISDB,IZWBODJDDBCDFA-DXEZAUPJSA-N,"InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,27+,28+,29-,30-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H46O4,,470.339609952,IZWBODJDDBCDFA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],5,0,7.615069627761841 8104,7138,-1,,,,0.698293,ISDB,SHDSXTLKCOGMKJ-KBSQWXFASA-N,"InChI=1S/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13,C30H44O3,,452.329045268,SHDSXTLKCOGMKJ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Lantana camara,78889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana camara'],4,0,6.7931718826293945 8105,7137,1005,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.40778458,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.131138324737549 8106,7136,45,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.5912219,ISDB,DUEINKIQNGZKPL-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(CO)CCC[C@]23C)C1,C20H32O,,288.245315644,DUEINKIQNGZKPL,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.864887714385986 8107,7135,295,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5258512,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.603404760360718 8108,7135,295,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5258512,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.603404760360718 8109,7134,-1,,,,0.0,MS1_match,BWDCJRUCCWZCIY-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3",CC=Cc1ccc(OC)c(OC)c1OC,C12H16O3,pos_2MNa,208.109944372,BWDCJRUCCWZCIY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,0,7.0 8110,7133,-1,,,,0.28200832,ISDB,HFOYBPKZZDOLDW-NEUQYWNHSA-N,"InChI=1S/C24H36O7/c1-5-6-11-30-20-22-14-8-7-13-12(2)17(26)23(14,18(13)27)24(29,31-20)19(28)16(22)21(3,4)10-9-15(22)25/h13-16,18-20,25,27-29H,2,5-11H2,1,3-4H3/t13-,14-,15-,16+,18+,19-,20-,22-,23-,24-/m0/s1",C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12[C@@H](OCCCC)O[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O,C24H36O7,,436.246103492,HFOYBPKZZDOLDW,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon rosthornii,1017559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rosthornii'],3,0,4.12803328037262 8111,7132,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SNZZAHRDXCGWEM-CKFHNAJUSA-N,"InChI=1S/C19H22O6/c1-24-18-7-11(2-4-16(18)22)6-13-10-25-19(14(13)9-20)12-3-5-15(21)17(23)8-12/h2-5,7-8,13-14,19-23H,6,9-10H2,1H3/t13-,14-,19+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]2CO)ccc1O,C19H22O6,pos_2MHNH3,346.14163842399995,SNZZAHRDXCGWEM,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 8112,7132,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SNZZAHRDXCGWEM-CKFHNAJUSA-N,"InChI=1S/C19H22O6/c1-24-18-7-11(2-4-16(18)22)6-13-10-25-19(14(13)9-20)12-3-5-15(21)17(23)8-12/h2-5,7-8,13-14,19-23H,6,9-10H2,1H3/t13-,14-,19+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]2CO)ccc1O,C19H22O6,pos_2MHNH3,346.14163842399995,SNZZAHRDXCGWEM,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 8113,7132,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,GQLVRVYXAHDDLB-PJFSTRORSA-N,"InChI=1S/C19H22O6/c1-25-18-6-11-4-12(8-20)14(9-21)19(13(11)7-17(18)24)10-2-3-15(22)16(23)5-10/h2-3,5-7,12,14,19-24H,4,8-9H2,1H3/t12-,14-,19-/m0/s1",COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@@H](CO)[C@H](CO)C2,C19H22O6,pos_2MHNH3,346.14163842399995,GQLVRVYXAHDDLB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 8114,7132,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,PGDXMXMJDYPCRB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-25-18-6-10(2-3-15(18)22)19-13-7-17(24)16(23)5-11(13)4-12(8-20)14(19)9-21/h2-3,5-7,12,14,19-24H,4,8-9H2,1H3",COc1cc(C2c3cc(O)c(O)cc3CC(CO)C2CO)ccc1O,C19H22O6,pos_2MHNH3,346.141638424,PGDXMXMJDYPCRB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 8115,7131,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6418487,ISDB,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,11.067394733428955 8116,7130,731,Fatty acids,Sphingolipids,Sphingoid bases,0.640478,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],3,3,7.0619120597839355 8117,7130,731,Fatty acids,Sphingolipids,Sphingoid bases,0.640478,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],3,3,7.0619120597839355 8118,7130,731,Fatty acids,Sphingolipids,Sphingoid bases,0.640478,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],3,3,7.0619120597839355 8119,7129,801,Terpenoids,Triterpenoids,Limonoids,0.6612784,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],3,3,7.145113706588745 8120,7129,801,Terpenoids,Triterpenoids,Limonoids,0.6612784,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],3,3,7.145113706588745 8121,7127,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5203011,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.581204414367676 8122,7127,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5203011,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.581204414367676 8123,7125,-1,,,,0.472487,ISDB,DOGZABSTLUIXJO-UHFFFAOYSA-N,"InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h9-15,18H,3-8,16-17H2,1-2H3,(H,23,24)",CC(C)CNC(=O)C=CCCCCCCC=Cc1ccc2c(c1)OCO2,C22H31NO3,,357.230393852,DOGZABSTLUIXJO,,,,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],3,0,4.889948010444641 8124,7125,-1,,,,0.472487,ISDB,DOGZABSTLUIXJO-UHFFFAOYSA-N,"InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h9-15,18H,3-8,16-17H2,1-2H3,(H,23,24)",CC(C)CNC(=O)C=CCCCCCCC=Cc1ccc2c(c1)OCO2,C22H31NO3,,357.230393852,DOGZABSTLUIXJO,,,,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],3,0,4.889948010444641 8125,7125,-1,,,,0.472487,ISDB,DOGZABSTLUIXJO-UHFFFAOYSA-N,"InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h9-15,18H,3-8,16-17H2,1-2H3,(H,23,24)",CC(C)CNC(=O)C=CCCCCCCC=Cc1ccc2c(c1)OCO2,C22H31NO3,,357.230393852,DOGZABSTLUIXJO,,,,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],3,0,4.889948010444641 8126,7125,-1,,,,0.472487,ISDB,DOGZABSTLUIXJO-WGDLNXRISA-N,"InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h9-15,18H,3-8,16-17H2,1-2H3,(H,23,24)/b11-9+,12-10+",CC(C)CNC(=O)/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2,C22H31NO3,,357.230393852,DOGZABSTLUIXJO,,,,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],3,0,4.889948010444641 8127,7122,-1,,,,0.53148013,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,0,5.125920534133911 8128,7121,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6559274,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6237096786499023 8129,7118,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7505465,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0021860599517822 8130,7117,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.25245702,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.509828090667725 8131,7115,71,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7510818,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0043272972106934 8132,7113,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.29175624,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.6670249700546265 8133,7112,1777,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.33212417,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,5.828496694564819 8134,7111,3595,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,RBTRUVNXLDXHBJ-UHFFFAOYSA-N,"InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-36H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4O)c3o2)cc1,C31H20O10,pos_1_1proton,552.10564684,RBTRUVNXLDXHBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sequoiadendron giganteum,810380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Sequoiadendron'],['Sequoiadendron giganteum'],7,3,8.5 8135,7111,3595,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JLHZOLWNLOEMKU-UHFFFAOYSA-N,"InChI=1S/C31H20O10/c1-38-18-6-2-15(3-7-18)25-13-22(35)29-27(41-25)14-23(36)31(30(29)37)39-19-8-4-16(5-9-19)24-12-21(34)28-20(33)10-17(32)11-26(28)40-24/h2-14,32-33,36-37H,1H3",COc1ccc(-c2cc(=O)c3c(O)c(Oc4ccc(-c5cc(=O)c6c(O)cc(O)cc6o5)cc4)c(O)cc3o2)cc1,C31H20O10,pos_1_1proton,552.10564684,JLHZOLWNLOEMKU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,8.5 8136,7109,1777,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.29547787,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,5.681911468505859 8137,7108,-1,,,,0.5388773,ISDB,GYUYQQCJINXTSG-UHFFFAOYSA-N,"InChI=1S/C18H35FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)",O=C(O)CCCCCCCCCCCCCCCCCF,C18H35FO2,,302.26210858,GYUYQQCJINXTSG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Dichapetalum toxicarium,6100117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Dichapetalaceae'],['Unknown'],['Dichapetalum'],['Dichapetalum toxicarium'],3,0,5.1555092334747314 8138,7106,-1,,,,0.37343085,ISDB,DLYLYXIDKXMSDL-ZSOFBXJNSA-N,"InChI=1S/C20H24O4/c1-10(2)11-6-12-14(7-15(11)22)20(5)8-13(17(12)23)18(24)19(3,4)16(20)9-21/h6-7,9-10,13,16,22H,8H2,1-5H3/t13-,16-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](C2=O)C(=O)C(C)(C)[C@@H]1C=O,C20H24O4,,328.167459248,DLYLYXIDKXMSDL,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Chamaecyparis obtusa var. formosana,800336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,0,6.493723392486572 8139,7106,-1,,,,0.37343085,ISDB,DLYLYXIDKXMSDL-ZSOFBXJNSA-N,"InChI=1S/C20H24O4/c1-10(2)11-6-12-14(7-15(11)22)20(5)8-13(17(12)23)18(24)19(3,4)16(20)9-21/h6-7,9-10,13,16,22H,8H2,1-5H3/t13-,16-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](C2=O)C(=O)C(C)(C)[C@@H]1C=O,C20H24O4,,328.167459248,DLYLYXIDKXMSDL,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,0,6.493723392486572 8140,7104,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39240667,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.069626688957214 8141,7101,-1,,,,0.0,MS1_match,YCRUHXDBZDORLV-PVFXMYQXSA-N,"InChI=1S/C25H40O5/c26-20-10-6-3-1-2-4-8-12-24(13-9-5-7-11-21-27)30-25(29)19-16-22-14-17-23(28)18-15-22/h14-19,24,26-28H,1-13,20-21H2/b19-16-/t24-/m1/s1",O=C(/C=C\c1ccc(O)cc1)O[C@@H](CCCCCCO)CCCCCCCCCO,C25H40O5,pos_1_1sodium,420.28757438,YCRUHXDBZDORLV,,,,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 8142,7100,2297,,,,0.5774515,ISDB,YCRUHXDBZDORLV-PVFXMYQXSA-N,"InChI=1S/C25H40O5/c26-20-10-6-3-1-2-4-8-12-24(13-9-5-7-11-21-27)30-25(29)19-16-22-14-17-23(28)18-15-22/h14-19,24,26-28H,1-13,20-21H2/b19-16-/t24-/m1/s1",O=C(/C=C\c1ccc(O)cc1)O[C@@H](CCCCCCO)CCCCCCCCCO,C25H40O5,,420.28757438,YCRUHXDBZDORLV,,,,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.309806108474731 8143,7099,1064,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.5113053,ISDB,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.545221090316772 8144,7099,1064,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.5113053,ISDB,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,9.545221090316772 8145,7099,1064,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.5113053,ISDB,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.545221090316772 8146,7099,1064,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,0.5113053,ISDB,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.545221090316772 8147,7097,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_1_1sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 8148,7097,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_1_1sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 8149,7093,1777,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.46233675,ISDB,,,,,,,OSBRSVNOFXCOHR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8493469953536987 8150,7089,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.24245794,ISDB,HBDPPXYSTUTNOM-BJBWCKHRSA-N,"InChI=1S/C18H26O12/c1-26-9-4-7(2-3-8(9)20)28-18-16(25)14(23)13(22)11(30-18)6-27-17-15(24)12(21)10(5-19)29-17/h2-4,10-25H,5-6H2,1H3/t10-,11+,12-,13-,14-,15+,16+,17+,18+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C18H26O12,,434.142426272,HBDPPXYSTUTNOM,,,,Elaeagnus pungens,239727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Elaeagnus'],['Elaeagnus pungens'],5,0,5.969831764698029 8151,7088,2393,,,,0.22710814,ISDB,,,,,,,GIDXFPJAMUHECO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9084325432777405 8152,7087,-1,,,,0.0,MS1_match,IYXKFHZDYXAAFO-PBUPUVDDSA-N,"InChI=1S/C20H34O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h13,15-16,23H,6-12H2,1-5H3,(H,21,22)/b14-13+/t15-,16+,19-,20+/m0/s1",C/C(=C\C(=O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H34O3,pos_1_1sodium,322.250794948,IYXKFHZDYXAAFO,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8153,7087,-1,,,,0.0,MS1_match,NSRKLZRKJJQJLD-YESPVIGUSA-N,"InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16+,17-,19-,20+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@@H](C)CCO,C20H34O3,pos_1_1sodium,322.250794948,NSRKLZRKJJQJLD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 8154,7087,-1,,,,0.0,MS1_match,UFSBKIDLLGCBLW-QQBOBMDFSA-N,"InChI=1S/C20H34O3/c1-6-15(10-13-23-5)17-14(2)8-9-16-19(17,3)11-7-12-20(16,4)18(21)22/h15-17H,2,6-13H2,1,3-5H3,(H,21,22)/t15-,16+,17+,19-,20+/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1[C@H](CC)CCOC,C20H34O3,pos_1_1sodium,322.250794948,UFSBKIDLLGCBLW,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 8155,7086,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,QEQHVGFOGHYBSV-XBZSYFKRSA-N,"InChI=1S/C32H50O7/c1-18-11-14-32(26(36)39-8)16-15-28(3)19(23(32)31(18,6)37)9-10-21-27(2)17-20(33)24(34)30(5,25(35)38-7)22(27)12-13-29(21,28)4/h9,18,20-24,33-34,37H,10-17H2,1-8H3/t18-,20-,21-,22-,23-,24+,27-,28-,29-,30-,31-,32+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)OC)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C32H50O7,pos_1_minus1proton1iron,546.3556539399998,QEQHVGFOGHYBSV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,3,7.5 8156,7084,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.49849468,ISDB,FDHSDGVDEVPEGH-UIIZSYBASA-N,"InChI=1S/C35H58O6/c1-10-20(2)29(40)41-26-18-30(3,4)17-22-21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)27(38)28(39)35(22,26)19-36/h11,20,22-28,36-39H,10,12-19H2,1-9H3/t20-,22+,23+,24-,25+,26+,27+,28-,32+,33-,34+,35-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO,C35H58O6,,574.423339576,FDHSDGVDEVPEGH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pittosporum undulatum,464108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Pittosporaceae'],['Unknown'],['Pittosporum'],['Pittosporum undulatum'],4,1,6.49397873878479 8157,7082,-1,,,,0.4440937,ISDB,AYDJDNNMKHXZOQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C(=O)O)C1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,7.776374816894531 8158,7082,-1,,,,0.4440937,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,0,7.776374816894531 8159,7081,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.46887776,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,9.875511050224304 8160,7080,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48582336,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.443293452262878 8161,7080,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48582336,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.443293452262878 8162,7080,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48582336,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.443293452262878 8163,7080,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48582336,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.443293452262878 8164,7080,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48582336,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.443293452262878 8165,7078,1005,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.62845194,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,10.013807773590088 8166,7077,2848,Terpenoids,Diterpenoids,Labdane diterpenoids,0.23014131,ISDB,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,7.420565247535706 8167,7076,3460,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,0.7051794,ISDB,HLCNZOPEOXZUQN-RFPOMQOQSA-N,"InChI=1S/C19H30O2/c1-11(2)14-6-7-17(5)10-15-12(3)8-16(20)19(15)13(4)9-18(14,17)21-19/h11,13-14,16,20H,6-10H2,1-5H3/t13-,14-,16-,17-,18+,19+/m1/s1",CC1=C2C[C@@]3(C)CC[C@H](C(C)C)[C@@]34C[C@@H](C)[C@@]2(O4)[C@H](O)C1,C19H30O2,,290.2245802,HLCNZOPEOXZUQN,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Plicanthus hirtellus,428570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Anastrophyllaceae'],['Unknown'],['Plicanthus'],['Plicanthus hirtellus'],3,3,7.3207175731658936 8168,7075,1071,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43273222,ISDB,HPQKNJHVWUWAOR-BWCMQUJESA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.230928897857666 8169,7075,1071,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43273222,ISDB,HPQKNJHVWUWAOR-QBSBYYDBSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.230928897857666 8170,7075,1071,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43273222,ISDB,HPQKNJHVWUWAOR-QBSBYYDBSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.230928897857666 8171,7075,1071,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43273222,ISDB,HPQKNJHVWUWAOR-BWCMQUJESA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.230928897857666 8172,7075,1071,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43273222,ISDB,HPQKNJHVWUWAOR-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)CC(=O)O,C20H32O4,,336.230059504,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.230928897857666 8173,7075,1071,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43273222,ISDB,HPQKNJHVWUWAOR-QTAXSFQDSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15+,16-,19-,20+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@@H](C)CC(=O)O,C20H32O4,,336.230059504,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.230928897857666 8174,7074,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8175,7074,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8176,7074,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8177,7074,-1,,,,0.0,MS1_match,QSFLWQIGANLWJS-JGKKSEDXSA-N,"InChI=1S/C20H30O4/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)7-4-8-20(17,11-21)18(23)24/h9,12,14-15,17,21H,4-8,10-11H2,1-3H3,(H,23,24)/t14-,15-,17+,19+,20+/m0/s1",CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440944,QSFLWQIGANLWJS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 8178,7074,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8179,7074,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8180,7074,-1,,,,0.0,MS1_match,CMIAIUZBKPLIOP-YZLZLFLDSA-N,"InChI=1S/C20H30O4/c1-19(2,24-22)14-8-10-16-13(12-14)7-9-17-15(18(21)23-4)6-5-11-20(16,17)3/h7,12,15-17,22H,5-6,8-11H2,1-4H3/t15-,16+,17-,20+/m1/s1",COC(=O)[C@@H]1CCC[C@]2(C)[C@@H]1CC=C1C=C(C(C)(C)OO)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440944,CMIAIUZBKPLIOP,Terpenoids,Sesquiterpenoids,,Pinus devoniana,635129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus devoniana'],6,0,6.0 8181,7074,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8182,7074,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8183,7074,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8184,7074,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8185,7074,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8186,7074,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8187,7074,-1,,,,0.0,MS1_match,JWQFSZPHDJUDSP-JQERWDHBSA-N,"InChI=1S/C20H30O4/c1-13(2)14(12-21)6-7-15-16(22)8-9-17-19(15,3)10-5-11-20(17,4)18(23)24/h12,15,17H,5-11H2,1-4H3,(H,23,24)/t15-,17+,19+,20+/m0/s1",CC(C)=C(C=O)CC[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,JWQFSZPHDJUDSP,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8188,7072,1470,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4925657,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.4702627658844 8189,7072,1470,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4925657,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.4702627658844 8190,7071,-1,,,,0.58285135,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.331405401229858 8191,7070,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3962318,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.084927201271057 8192,7069,1607,Terpenoids,Triterpenoids,Serratane triterpenoids,0.0,MS1_match,VZPCWSKCBLYYSO-XWRLMVANSA-N,"InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-23H,9-18H2,1-7H3/t20-,21+,22+,23-,28-,29+,30-/m0/s1",CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC=C1C[C@]3(C)CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@H]12,C30H46O2,pos_2MFe,438.349780712,VZPCWSKCBLYYSO,Terpenoids,Triterpenoids,Serratane triterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,7.5 8193,7069,1607,Terpenoids,Triterpenoids,Serratane triterpenoids,0.0,MS1_match,VZPCWSKCBLYYSO-WFHLZTHJSA-N,"InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-23H,9-18H2,1-7H3/t20-,21-,22-,23-,28-,29+,30-/m0/s1",CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@H]12,C30H46O2,pos_2MFe,438.349780712,VZPCWSKCBLYYSO,Terpenoids,Triterpenoids,Serratane triterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,7.5 8194,7068,1428,Terpenoids,Diterpenoids,Labdane diterpenoids,0.32645568,ISDB,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,8.805822730064392 8195,7067,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.52301043,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,10.592041730880737 8196,7066,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.672123,ISDB,JBIUFFGIDNZYFQ-CQSZACIVSA-N,"InChI=1S/C17H24O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-7,14H,8-10H2,1-5H3/t14-/m1/s1",CC(=O)OC(C)(C)[C@@H]1CCc2c(C)ccc(C)c2C1,C17H24O2,,260.177630008,JBIUFFGIDNZYFQ,Terpenoids,Sesquiterpenoids,,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],4,2,7.688492059707642 8197,7066,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.672123,ISDB,JBIUFFGIDNZYFQ-CQSZACIVSA-N,"InChI=1S/C17H24O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-7,14H,8-10H2,1-5H3/t14-/m1/s1",CC(=O)OC(C)(C)[C@@H]1CCc2c(C)ccc(C)c2C1,C17H24O2,,260.177630008,JBIUFFGIDNZYFQ,Terpenoids,Sesquiterpenoids,,Emmotum nitens,100172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Metteniusales'],['Metteniusaceae'],['Unknown'],['Emmotum'],['Emmotum nitens'],4,2,7.688492059707642 8198,7066,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.672123,ISDB,JBIUFFGIDNZYFQ-CQSZACIVSA-N,"InChI=1S/C17H24O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-7,14H,8-10H2,1-5H3/t14-/m1/s1",CC(=O)OC(C)(C)[C@@H]1CCc2c(C)ccc(C)c2C1,C17H24O2,,260.177630008,JBIUFFGIDNZYFQ,Terpenoids,Sesquiterpenoids,,Nicotiana undulata,210478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana undulata'],4,2,7.688492059707642 8199,7065,2631,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6068705,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.9274818897247314 8200,7063,1880,Terpenoids,Steroids,Bufadienolides,0.28754562,ISDB,GFKJGXMLXPRSOS-UHFFFAOYSA-N,"InChI=1S/C30H38O9/c1-16(31)37-26-25(17-4-8-23(34)36-15-17)29(3)13-11-20-21(30(29)27(26)39-30)6-5-18-14-19(10-12-28(18,20)2)38-24(35)9-7-22(32)33/h4,8,15,18-21,25-27H,5-7,9-14H2,1-3H3,(H,32,33)",CC(=O)OC1C(c2ccc(=O)oc2)C2(C)CCC3C(CCC4CC(OC(=O)CCC(=O)O)CCC43C)C23OC13,C30H38O9,,542.251582796,GFKJGXMLXPRSOS,Terpenoids,Steroids,Bufadienolides,Bufo bufo,889350.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Bufonidae'],['Unknown'],['Bufo'],['Bufo bufo'],1,3,3.6501824855804443 8201,7063,1880,Terpenoids,Steroids,Bufadienolides,0.28754562,ISDB,GFKJGXMLXPRSOS-UHFFFAOYSA-N,"InChI=1S/C30H38O9/c1-16(31)37-26-25(17-4-8-23(34)36-15-17)29(3)13-11-20-21(30(29)27(26)39-30)6-5-18-14-19(10-12-28(18,20)2)38-24(35)9-7-22(32)33/h4,8,15,18-21,25-27H,5-7,9-14H2,1-3H3,(H,32,33)",CC(=O)OC1C(c2ccc(=O)oc2)C2(C)CCC3C(CCC4CC(OC(=O)CCC(=O)O)CCC43C)C23OC13,C30H38O9,,542.251582796,GFKJGXMLXPRSOS,Terpenoids,Steroids,Bufadienolides,Bufo gargarizans,279549.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Bufonidae'],['Unknown'],['Bufo'],['Bufo gargarizans'],1,3,3.6501824855804443 8202,7061,-1,,,,0.44990984,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.799639344215393 8203,7060,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5402516,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.661006450653076 8204,7060,1278,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5402516,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.661006450653076 8205,7059,2415,Shikimates and Phenylpropanoids,Coumarins,Cinnamic acids and derivatives,0.28874117,ISDB,DKVQOAMBVKKPAM-MDZDMXLPSA-N,"InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+",C=CC(C)(C)/C=C/c1ccc(O)cc1,C13H16O,,188.120115132,DKVQOAMBVKKPAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],3,3,5.6549646854400635 8206,7059,2415,Shikimates and Phenylpropanoids,Coumarins,Cinnamic acids and derivatives,0.28874117,ISDB,DKVQOAMBVKKPAM-MDZDMXLPSA-N,"InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+",C=CC(C)(C)/C=C/c1ccc(O)cc1,C13H16O,,188.120115132,DKVQOAMBVKKPAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],3,3,5.6549646854400635 8207,7058,635,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.22512572,ISDB,OXKJXQWUKRTLGT-QGZVFWFLSA-N,"InChI=1S/C19H26O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h6,10-12,17,20H,5,7-9H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2,C19H26O,,270.198365452,OXKJXQWUKRTLGT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,3,5.400502860546112 8208,7057,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5101858,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.540743112564087 8209,7057,1704,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5101858,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.540743112564087 8210,7056,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.3990143,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.096057176589966 8211,7054,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.347109,ISDB,FSLWKIHHQUNBQK-AKZLODSSSA-N,"InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,14,17-18,21H,2,5-9,11-13H2,1,3-4H3/b15-10+/t17-,18-,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/CO,C20H32O2,,304.240230264,FSLWKIHHQUNBQK,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,3,7.888435959815979 8212,7054,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.347109,ISDB,FSLWKIHHQUNBQK-UHFFFAOYSA-N,"InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,14,17-18,21H,2,5-9,11-13H2,1,3-4H3",C=C1CCC2C(C)(C=O)CCCC2(C)C1CCC(C)=CCO,C20H32O2,,304.240230264,FSLWKIHHQUNBQK,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,3,7.888435959815979 8213,7053,-1,,,,0.46321982,ISDB,PIJPSWNOKIPSCP-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,16-17,20-21H,5,8-9,11H2,1-4H3",CC(C)c1ccc2c(c1)C(O)CC1C(C)(O)CCCC21C,C19H28O2,,288.208930136,PIJPSWNOKIPSCP,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.852879285812378 8214,7050,2235,,,,0.5877215,ISDB,,,,,,,YUPIVDGAECBVEC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.350886106491089 8215,7048,967,Terpenoids,Small peptides,Aminoacids,0.6952764,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],3,1,6.2811055183410645 8216,7048,967,Terpenoids,Small peptides,Aminoacids,0.6952764,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],3,1,6.2811055183410645 8217,7048,967,Terpenoids,Small peptides,Aminoacids,0.6952764,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Acca sellowiana,9529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Acca'],['Acca sellowiana'],3,1,6.2811055183410645 8218,7048,967,Terpenoids,Small peptides,Aminoacids,0.6952764,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,1,6.2811055183410645 8219,7048,967,Terpenoids,Small peptides,Aminoacids,0.6952764,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,1,6.2811055183410645 8220,7048,967,Terpenoids,Small peptides,Aminoacids,0.6952764,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,1,6.2811055183410645 8221,7048,967,Terpenoids,Small peptides,Aminoacids,0.6952764,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],3,1,6.2811055183410645 8222,7048,967,Terpenoids,Small peptides,Aminoacids,0.6952764,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],3,1,6.2811055183410645 8223,7047,-1,,,,0.0,MS1_match,CUFNKYGDVFVPHO-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H,c1ccc2cccc-2cc1,C10H8,pos_1_1proton1isopropanol,128.062600256,CUFNKYGDVFVPHO,Shikimates and Phenylpropanoids,,,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],6,0,6.0 8224,7046,801,Terpenoids,Triterpenoids,Limonoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1potassium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,1,6.5 8225,7046,801,Terpenoids,Triterpenoids,Limonoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1potassium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,1,6.5 8226,7045,-1,,,,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8227,7045,-1,,,,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 8228,7044,-1,,,,0.22097929,ISDB,,,,,,,DWUSFZYWJLMUTN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8839171528816223 8229,7043,635,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.62096274,ISDB,OXKJXQWUKRTLGT-QGZVFWFLSA-N,"InChI=1S/C19H26O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h6,10-12,17,20H,5,7-9H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2,C19H26O,,270.198365452,OXKJXQWUKRTLGT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,3,6.983850955963135 8230,7042,-1,,,,0.5680063,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.272025108337402 8231,7042,-1,,,,0.5680063,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,0,7.272025108337402 8232,7041,332,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5380984,ISDB,RWWVEQKPFPXLGL-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C20H30O2,,302.2245802,RWWVEQKPFPXLGL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nebrodensis,876310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nebrodensis'],6,3,9.652393579483032 8233,7039,-1,,,,0.37331688,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.49326753616333 8234,7037,-1,,,,0.4303942,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,0,4.721576809883118 8235,7036,-1,,,,0.65727884,ISDB,SAKHPJFLERYVSP-SLGBOPGLSA-N,"InChI=1S/C26H32O7/c1-24(2)17(12-19(28)30-5)26(4)16-8-10-25(3)20(15(16)6-7-18(24)27)21(33-26)23(29)32-22(25)14-9-11-31-13-14/h9,11,13,16-17,21-22H,6-8,10,12H2,1-5H3/t16-,17-,21-,22-,25+,26-/m0/s1",COC(=O)C[C@H]1C(C)(C)C(=O)CCC2=C3[C@@H]4O[C@@]1(C)[C@H]2CC[C@@]3(C)[C@H](c1ccoc1)OC4=O,C26H32O7,,456.214803364,SAKHPJFLERYVSP,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,0,5.629115343093872 8236,7036,-1,,,,0.65727884,ISDB,SAKHPJFLERYVSP-SLGBOPGLSA-N,"InChI=1S/C26H32O7/c1-24(2)17(12-19(28)30-5)26(4)16-8-10-25(3)20(15(16)6-7-18(24)27)21(33-26)23(29)32-22(25)14-9-11-31-13-14/h9,11,13,16-17,21-22H,6-8,10,12H2,1-5H3/t16-,17-,21-,22-,25+,26-/m0/s1",COC(=O)C[C@H]1C(C)(C)C(=O)CCC2=C3[C@@H]4O[C@@]1(C)[C@H]2CC[C@@]3(C)[C@H](c1ccoc1)OC4=O,C26H32O7,,456.214803364,SAKHPJFLERYVSP,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,0,5.629115343093872 8237,7035,968,Fatty acids,Fatty acyls,Hydrocarbons,0.0,MS1_match,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",CCc1ccccc1,C8H10,pos_2MH,106.07825032,YNQLUTRBYVCPMQ,Shikimates and Phenylpropanoids,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 8238,7034,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.65399766,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.11599063873291 8239,7034,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.65399766,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.11599063873291 8240,7033,440,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1proton1ammonium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 8241,7033,440,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1proton1ammonium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 8242,7032,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.53320926,ISDB,FROPMOMNKVVLHR-UHFFFAOYSA-N,"InChI=1S/C19H26O3/c1-10(2)12-8-13-15(20)9-14-11(6-5-7-19(14,3)4)16(13)18(22)17(12)21/h8,10-11,14,21-22H,5-7,9H2,1-4H3",CC(C)c1cc2c(c(O)c1O)C1CCCC(C)(C)C1CC2=O,C19H26O3,,302.188194692,FROPMOMNKVVLHR,Terpenoids,Diterpenoids,Abietane diterpenoids,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],3,3,6.6328370571136475 8243,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8244,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8245,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea torano,1091066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea torano'],6,1,6.5 8246,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 8247,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8248,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 8249,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 8250,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],6,1,6.5 8251,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus remota,225281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus remota'],6,1,6.5 8252,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus longaeva,568647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus longaeva'],6,1,6.5 8253,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus aristata,786782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus aristata'],6,1,6.5 8254,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,1,6.5 8255,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8256,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8257,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,1,6.5 8258,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,1,6.5 8259,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,1,6.5 8260,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,1,6.5 8261,7030,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,1,6.5 8262,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cedrela odorata,481677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Cedrela'],['Cedrela odorata'],3,0,6.097179651260376 8263,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Halocarpus kirkii,309855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus kirkii'],3,0,6.097179651260376 8264,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mastigophora diclados,94620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Mastigophoraceae'],['Unknown'],['Mastigophora'],['Mastigophora diclados'],3,0,6.097179651260376 8265,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],3,0,6.097179651260376 8266,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,0,6.097179651260376 8267,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Juniperus excelsa,283344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus excelsa'],3,0,6.097179651260376 8268,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],3,0,6.097179651260376 8269,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],3,0,6.097179651260376 8270,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia littoralis,859241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia littoralis'],3,0,6.097179651260376 8271,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aristolochia elegans,80342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia elegans'],3,0,6.097179651260376 8272,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],3,0,6.097179651260376 8273,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],3,0,6.097179651260376 8274,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],3,0,6.097179651260376 8275,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina insularis,313201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina insularis'],3,0,6.097179651260376 8276,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Santolina corsica,130304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina corsica'],3,0,6.097179651260376 8277,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania congesta,3899922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania congesta'],3,0,6.097179651260376 8278,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania banisteriae,7051520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania hirsutissima'],3,0,6.097179651260376 8279,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania parviflora,6056508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania parviflora'],3,0,6.097179651260376 8280,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mikania cordifolia,803876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordifolia'],3,0,6.097179651260376 8281,7029,-1,,,,0.7742949,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Micromeria juliana,596693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria juliana'],3,0,6.097179651260376 8282,7028,-1,,,,0.63503444,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,0,5.540137767791748 8283,7027,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5833422,ISDB,SOJWLJKPIIODOH-OTWHNJEPSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18+,19-/m0/s1",CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,2,9.33336877822876 8284,7026,1428,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1proton1ammonium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 8285,7025,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.82984567,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Nelumbo lutea,532278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Nelumbonaceae'],['Unknown'],['Nelumbo'],['Nelumbo lutea'],3,3,7.819382667541504 8286,7025,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.82984567,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],3,3,7.819382667541504 8287,7025,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.82984567,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],3,3,7.819382667541504 8288,7024,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6557047,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.1228187084198 8289,7024,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6557047,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.1228187084198 8290,7023,-1,,,,0.0,MS1_match,DRGAKKLILXXLIA-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O,C19H38O5,pos_3_1proton2sodium,346.271924316,DRGAKKLILXXLIA,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 8291,7023,-1,,,,0.0,MS1_match,UWTPUSJSDRVPPI-QZTJIDSGSA-N,"InChI=1S/C19H38O5/c1-24-18(14-10-6-4-7-11-15-19(22)23)17(21)13-9-5-2-3-8-12-16-20/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1",CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO,C19H38O5,pos_3_1proton2sodium,346.271924316,UWTPUSJSDRVPPI,Fatty acids,Fatty Acids and Conjugates,Methoxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 8292,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.995079040527344 8293,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],3,0,5.995079040527344 8294,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],3,0,5.995079040527344 8295,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,0,5.995079040527344 8296,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],3,0,5.995079040527344 8297,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],3,0,5.995079040527344 8298,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],3,0,5.995079040527344 8299,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],3,0,5.995079040527344 8300,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],3,0,5.995079040527344 8301,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],3,0,5.995079040527344 8302,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],3,0,5.995079040527344 8303,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],3,0,5.995079040527344 8304,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],3,0,5.995079040527344 8305,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],3,0,5.995079040527344 8306,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],3,0,5.995079040527344 8307,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],3,0,5.995079040527344 8308,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],3,0,5.995079040527344 8309,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],3,0,5.995079040527344 8310,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],3,0,5.995079040527344 8311,7021,-1,,,,0.74876976,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],3,0,5.995079040527344 8312,7020,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.52050656,ISDB,UNXLEMAVNRUZHN-UHFFFAOYSA-N,"InChI=1S/C11H18S/c1-4-5-6-10-7-8-11(12-10)9(2)3/h7-9H,4-6H2,1-3H3",CCCCc1ccc(C(C)C)s1,C11H18S,,182.112921576,UNXLEMAVNRUZHN,,,,Basella alba,63162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Basellaceae'],['Unknown'],['Basella'],['Basella alba'],3,0,5.082026243209839 8313,7018,-1,,,,0.7953009,ISDB,SZJNCZMRZAUNQT-BDAKNGLRSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m1/s1",CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],3,0,6.181203603744507 8314,7018,-1,,,,0.7953009,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,0,6.181203603744507 8315,7018,-1,,,,0.7953009,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],3,0,6.181203603744507 8316,7016,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.48890993,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,6.455639719963074 8317,7016,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.48890993,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,6.455639719963074 8318,7016,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.48890993,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,6.455639719963074 8319,7016,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.48890993,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,6.455639719963074 8320,7016,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.48890993,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,6.455639719963074 8321,7015,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.22287956,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,3.891518235206604 8322,7014,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6213506,ISDB,QWUWMCYKGHVNAV-UHFFFAOYSA-N,"InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2",c1ccc(CCc2ccccc2)cc1,C14H14,,182.109550448,QWUWMCYKGHVNAV,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Bletilla striata,147334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Arethuseae'],['Bletilla'],['Bletilla striata'],3,1,5.985402345657349 8323,7014,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6213506,ISDB,QWUWMCYKGHVNAV-UHFFFAOYSA-N,"InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2",c1ccc(CCc2ccccc2)cc1,C14H14,,182.109550448,QWUWMCYKGHVNAV,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Dioscorea alata,46971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea alata'],3,1,5.985402345657349 8324,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],3,3,7.443541765213013 8325,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],3,3,7.443541765213013 8326,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],3,3,7.443541765213013 8327,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],3,3,7.443541765213013 8328,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],3,3,7.443541765213013 8329,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.443541765213013 8330,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],3,3,7.443541765213013 8331,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],3,3,7.443541765213013 8332,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],3,3,7.443541765213013 8333,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],3,3,7.443541765213013 8334,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],3,3,7.443541765213013 8335,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],3,3,7.443541765213013 8336,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],3,3,7.443541765213013 8337,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],3,3,7.443541765213013 8338,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],3,3,7.443541765213013 8339,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],3,3,7.443541765213013 8340,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],3,3,7.443541765213013 8341,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],3,3,7.443541765213013 8342,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],3,3,7.443541765213013 8343,7011,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.73588544,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],3,3,7.443541765213013 8344,7009,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.5508816,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,6.703526496887207 8345,7009,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.5508816,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,6.703526496887207 8346,7009,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.5508816,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,6.703526496887207 8347,7009,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.5508816,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,6.703526496887207 8348,7009,1255,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.5508816,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,6.703526496887207 8349,7006,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8258517,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Nelumbo lutea,532278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Nelumbonaceae'],['Unknown'],['Nelumbo'],['Nelumbo lutea'],3,3,7.803406715393066 8350,7006,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8258517,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],3,3,7.803406715393066 8351,7006,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8258517,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],3,3,7.803406715393066 8352,7005,-1,,,,0.3031185,ISDB,,,,,,,ZCCXCIIULRZQQV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.21247398853302 8353,7004,351,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_2MNa,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 8354,7004,351,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_2MNa,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 8355,7002,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6547001,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.118800401687622 8356,7002,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6547001,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.118800401687622 8357,7001,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.23233087,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,3.9293234944343567 8358,6998,-1,,,,0.0,MS1_match,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,pos_1_1sodium,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 8359,6997,185,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.41650018,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,6.166000723838806 8360,6995,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56466424,ISDB,MXYATHGRPJZBNA-KRFUXDQASA-N,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1,C20H30O2,,302.2245802,MXYATHGRPJZBNA,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,2,10.258656978607178 8361,6993,-1,,,,0.44440323,ISDB,,,,,,,PPANCHFCINNDOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7776129245758057 8362,6992,140,Terpenoids,Steroids,Cardenolides,0.31342202,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,5.753688097000122 8363,6991,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5315711,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,6.62628436088562 8364,6991,1220,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.5315711,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,3,6.62628436088562 8365,6990,-1,,,,0.0,MS1_match,ICWKNVRGHUAALP-UHFFFAOYSA-N,"InChI=1S/C28H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-31-28(30)24-21-26-19-22-27(29)23-20-26/h19-20,22-23,29H,2-18,21,24-25H2,1H3",CCCCCCCCCCCCCCCCCCCOC(=O)CCc1ccc(O)cc1,C28H48O3,pos_1_minus1proton1iron,432.360345396,ICWKNVRGHUAALP,Polyketides,Aromatic polyketides,Catechols with side chains,Spiraea formosana,258075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea formosana'],6,0,6.0 8366,6989,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,YVFUWFRLVWFNLF-LAYMWGLGSA-N,"InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21?,22?,23?,24-,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C12,C30H46O4,pos_2MMg,470.339609952,YVFUWFRLVWFNLF,Terpenoids,Triterpenoids,Lupane triterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,2,9.0 8367,6988,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.21121196,ISDB,MXUHWVZQOFJKLX-UHFFFAOYSA-N,"InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-16-12-14(17(20)21-16)11-15(19)13-18/h14-16,18-19H,2-13H2,1H3",CCCCCCCCCCC1CC(CC(O)CO)C(=O)O1,C17H32O4,,300.230059504,MXUHWVZQOFJKLX,Polyketides,Linear polyketides,Open-chain polyketides,Sextonia rubra,424385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sextonia'],['Sextonia rubra'],4,0,4.844847857952118 8368,6984,140,Terpenoids,Steroids,Cardenolides,0.25988972,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,5.5395588874816895 8369,6983,967,Terpenoids,Small peptides,Aminoacids,0.7079537,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],3,1,6.331814765930176 8370,6983,967,Terpenoids,Small peptides,Aminoacids,0.7079537,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],3,1,6.331814765930176 8371,6983,967,Terpenoids,Small peptides,Aminoacids,0.7079537,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Acca sellowiana,9529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Acca'],['Acca sellowiana'],3,1,6.331814765930176 8372,6983,967,Terpenoids,Small peptides,Aminoacids,0.7079537,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,1,6.331814765930176 8373,6983,967,Terpenoids,Small peptides,Aminoacids,0.7079537,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,1,6.331814765930176 8374,6983,967,Terpenoids,Small peptides,Aminoacids,0.7079537,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,1,6.331814765930176 8375,6983,967,Terpenoids,Small peptides,Aminoacids,0.7079537,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],3,1,6.331814765930176 8376,6983,967,Terpenoids,Small peptides,Aminoacids,0.7079537,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],3,1,6.331814765930176 8377,6981,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8378,6981,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8379,6981,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8380,6981,-1,,,,0.0,MS1_match,QSFLWQIGANLWJS-JGKKSEDXSA-N,"InChI=1S/C20H30O4/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)7-4-8-20(17,11-21)18(23)24/h9,12,14-15,17,21H,4-8,10-11H2,1-3H3,(H,23,24)/t14-,15-,17+,19+,20+/m0/s1",CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440944,QSFLWQIGANLWJS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 8381,6981,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8382,6981,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8383,6981,-1,,,,0.0,MS1_match,CMIAIUZBKPLIOP-YZLZLFLDSA-N,"InChI=1S/C20H30O4/c1-19(2,24-22)14-8-10-16-13(12-14)7-9-17-15(18(21)23-4)6-5-11-20(16,17)3/h7,12,15-17,22H,5-6,8-11H2,1-4H3/t15-,16+,17-,20+/m1/s1",COC(=O)[C@@H]1CCC[C@]2(C)[C@@H]1CC=C1C=C(C(C)(C)OO)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440944,CMIAIUZBKPLIOP,Terpenoids,Sesquiterpenoids,,Pinus devoniana,635129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus devoniana'],6,0,6.0 8384,6981,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8385,6981,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8386,6981,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8387,6981,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8388,6981,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8389,6981,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8390,6981,-1,,,,0.0,MS1_match,JWQFSZPHDJUDSP-JQERWDHBSA-N,"InChI=1S/C20H30O4/c1-13(2)14(12-21)6-7-15-16(22)8-9-17-19(15,3)10-5-11-20(17,4)18(23)24/h12,15,17H,5-11H2,1-4H3,(H,23,24)/t15-,17+,19+,20+/m0/s1",CC(C)=C(C=O)CC[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,JWQFSZPHDJUDSP,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8391,6979,2479,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6083185,ISDB,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.933274030685425 8392,6979,2479,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6083185,ISDB,DYNISIGUMYFVJW-OCBLOMHFSA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.933274030685425 8393,6970,-1,,,,0.39047122,ISDB,PIJPSWNOKIPSCP-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,16-17,20-21H,5,8-9,11H2,1-4H3",CC(C)c1ccc2c(c1)C(O)CC1C(C)(O)CCCC21C,C19H28O2,,288.208930136,PIJPSWNOKIPSCP,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.561884880065918 8394,6969,1479,Terpenoids,Triterpenoids,Limonoids,0.47909233,ISDB,SAKHPJFLERYVSP-SLGBOPGLSA-N,"InChI=1S/C26H32O7/c1-24(2)17(12-19(28)30-5)26(4)16-8-10-25(3)20(15(16)6-7-18(24)27)21(33-26)23(29)32-22(25)14-9-11-31-13-14/h9,11,13,16-17,21-22H,6-8,10,12H2,1-5H3/t16-,17-,21-,22-,25+,26-/m0/s1",COC(=O)C[C@H]1C(C)(C)C(=O)CCC2=C3[C@@H]4O[C@@]1(C)[C@H]2CC[C@@]3(C)[C@H](c1ccoc1)OC4=O,C26H32O7,,456.214803364,SAKHPJFLERYVSP,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,3,6.416369318962097 8395,6969,1479,Terpenoids,Triterpenoids,Limonoids,0.47909233,ISDB,SAKHPJFLERYVSP-SLGBOPGLSA-N,"InChI=1S/C26H32O7/c1-24(2)17(12-19(28)30-5)26(4)16-8-10-25(3)20(15(16)6-7-18(24)27)21(33-26)23(29)32-22(25)14-9-11-31-13-14/h9,11,13,16-17,21-22H,6-8,10,12H2,1-5H3/t16-,17-,21-,22-,25+,26-/m0/s1",COC(=O)C[C@H]1C(C)(C)C(=O)CCC2=C3[C@@H]4O[C@@]1(C)[C@H]2CC[C@@]3(C)[C@H](c1ccoc1)OC4=O,C26H32O7,,456.214803364,SAKHPJFLERYVSP,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,3,6.416369318962097 8396,6968,-1,,,,0.0,MS1_match,JFEDUPNXIYCJAV-UKONTPBQSA-N,"InChI=1S/C30H50O5/c1-17-8-13-29(24(33)34)15-14-28(7)27(6)12-9-19-25(3,4)21(31)10-11-26(19,5)20(27)16-22(32)30(28,35)23(29)18(17)2/h17-23,31-32,35H,8-16H2,1-7H3,(H,33,34)/t17-,18+,19+,20-,21+,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@](O)([C@H]12)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C,C30H50O5,pos_1_minus1proton1iron,490.3658247,JFEDUPNXIYCJAV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],6,0,6.0 8397,6968,-1,,,,0.0,MS1_match,JFEDUPNXIYCJAV-UKONTPBQSA-N,"InChI=1S/C30H50O5/c1-17-8-13-29(24(33)34)15-14-28(7)27(6)12-9-19-25(3,4)21(31)10-11-26(19,5)20(27)16-22(32)30(28,35)23(29)18(17)2/h17-23,31-32,35H,8-16H2,1-7H3,(H,33,34)/t17-,18+,19+,20-,21+,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@](O)([C@H]12)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C,C30H50O5,pos_1_minus1proton1iron,490.3658247,JFEDUPNXIYCJAV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],6,0,6.0 8398,6967,2631,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6064826,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.925930500030518 8399,6966,148,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,KPCRYSMUMBNTCK-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(O)c3)oc2c1,C18H16O7,pos_1_1proton,344.089602852,KPCRYSMUMBNTCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus crispa,791101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus alnobetula'],7,1,7.5 8400,6966,148,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],7,1,7.5 8401,6966,148,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,1,7.5 8402,6964,1533,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3438592,ISDB,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,8.875436782836914 8403,6960,-1,,,,0.52570945,ISDB,LFDVVUDPWRGWSD-NYBKKNBDSA-N,"InChI=1S/C26H36O6/c1-22-11-7-18-23(2,21(30)31)9-4-10-25(18,15-27)17(22)8-12-24(3)19(22)14-26(32-24)13-16(28)5-6-20(26)29/h5-6,17-19,27H,4,7-15H2,1-3H3,(H,30,31)/t17-,18-,19-,22+,23-,24-,25-,26+/m0/s1",C[C@@]12CC[C@@H]3[C@](CO)(CCC[C@]3(C)C(=O)O)[C@H]1CC[C@]1(C)O[C@]3(CC(=O)C=CC3=O)C[C@@H]21,C26H36O6,,444.251188872,LFDVVUDPWRGWSD,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Petrosia durissima,4939053.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Petrosia'],['Petrosia durissima'],1,0,3.1028378009796143 8404,6958,1533,Terpenoids,Diterpenoids,Labdane diterpenoids,0.33412713,ISDB,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,7.836508512496948 8405,6957,-1,,,,0.60057014,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,0,5.402280569076538 8406,6956,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.52513945,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.600557804107666 8407,6956,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.52513945,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.600557804107666 8408,6955,-1,,,,0.0,MS1_match,ILBAHYUERMUZFJ-QAETUUGQSA-N,"InChI=1S/C17H24O3/c1-10-5-8-15(12(3)9-20-13(4)18)17(19)16-11(2)6-7-14(10)16/h14-17,19H,1-3,5-9H2,4H3/t14-,15-,16-,17-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@@H](C(=C)COC(C)=O)[C@H](O)[C@@H]12,C17H24O3,pos_1_1sodium,276.172544628,ILBAHYUERMUZFJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,0,7.0 8409,6955,-1,,,,0.0,MS1_match,MNWFXJYAOYHMED-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",CCCCCCC(=O)O,C7H14O2,pos_2MK,130.099379688,MNWFXJYAOYHMED,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 8410,6954,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55716467,ISDB,ILBAHYUERMUZFJ-QAETUUGQSA-N,"InChI=1S/C17H24O3/c1-10-5-8-15(12(3)9-20-13(4)18)17(19)16-11(2)6-7-14(10)16/h14-17,19H,1-3,5-9H2,4H3/t14-,15-,16-,17-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@@H](C(=C)COC(C)=O)[C@H](O)[C@@H]12,C17H24O3,,276.172544628,ILBAHYUERMUZFJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,2,10.228658676147461 8411,6953,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.70168716,ISDB,YONZCIKAMCMODD-PKSQDBQZSA-N,"InChI=1S/C15H20O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12-13H,4-5,7H2,1-3H3/t10-,12?,13?/m0/s1",CC1=CC2c3c(C)coc3C[C@H](C)C2CC1,C15H20O,,216.15141526,YONZCIKAMCMODD,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Aristeguietia glutinosa,7595864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Aristeguietia'],['Aristeguietia glutinosa'],4,3,8.306748628616333 8412,6953,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.70168716,ISDB,YONZCIKAMCMODD-UHTWSYAYSA-N,"InChI=1S/C15H20O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12-13H,4-5,7H2,1-3H3/t10-,12+,13-/m0/s1",CC1=C[C@@H]2c3c(C)coc3C[C@H](C)[C@H]2CC1,C15H20O,,216.15141526,YONZCIKAMCMODD,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Verbesina occidentalis,139340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina occidentalis'],4,3,8.306748628616333 8413,6953,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.70168716,ISDB,YONZCIKAMCMODD-CYZMBNFOSA-N,"InChI=1S/C15H20O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12-13H,4-5,7H2,1-3H3/t10-,12+,13+/m0/s1",CC1=C[C@H]2c3c(C)coc3C[C@H](C)[C@H]2CC1,C15H20O,,216.15141526,YONZCIKAMCMODD,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,3,8.306748628616333 8414,6952,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.75921476,ISDB,RXARZHLXLNWPFG-DGCLKSJQSA-N,"InChI=1S/C14H20/c1-9-5-4-6-10-7-8-11-13(12(9)10)14(11,2)3/h6,11,13H,4-5,7-8H2,1-3H3/t11-,13-/m1/s1",CC1=C2C(=CCC1)CC[C@@H]1[C@H]2C1(C)C,C14H20,,188.15650064,RXARZHLXLNWPFG,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Disynaphia multicrenulata,5920831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Disynaphia'],['Disynaphia multicrenulata'],4,2,8.036859035491943 8415,6951,2308,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1methanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 8416,6949,-1,,,,0.629015,ISDB,DYNISIGUMYFVJW-OCBLOMHFSA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,8.51606011390686 8417,6949,-1,,,,0.629015,ISDB,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,8.51606011390686 8418,6947,1332,Terpenoids,Diterpenoids,Labdane diterpenoids,0.55024993,ISDB,ZLZZZLNMOSWQFS-UHFFFAOYSA-N,"InChI=1S/C19H32O3/c1-16(2)9-6-10-17(3)13(16)7-11-18(4)14(17)8-12-19(5,22-18)15(20)21/h13-14H,6-12H2,1-5H3,(H,20,21)",CC1(C(=O)O)CCC2C(C)(CCC3C(C)(C)CCCC32C)O1,C19H32O3,,308.235144884,ZLZZZLNMOSWQFS,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],3,3,6.700999736785889 8419,6946,-1,,,,0.239749,ISDB,GXMSTEJLJKABOD-ZCICSXMVSA-N,"InChI=1S/C29H38O6/c1-15-19-16(13-17(30)20(15)31)27(4)10-12-28(5)18-14-26(3,24(34)35)8-7-25(18,2)9-11-29(28,6)23(27)22(33)21(19)32/h13,18,30-31,33H,7-12,14H2,1-6H3,(H,34,35)/t18-,25-,26-,27+,28+,29-/m1/s1",Cc1c(O)c(O)cc2c1C(=O)C(O)=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C,C29H38O6,,482.266838936,GXMSTEJLJKABOD,Terpenoids,Triterpenoids,,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],3,0,3.958995997905731 8420,6945,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6306052,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,9.022420883178711 8421,6944,-1,,,,0.59898496,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.395939826965332 8422,6944,-1,,,,0.59898496,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,0,7.395939826965332 8423,6942,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5827382,ISDB,ZSISCNCQVRABBK-JOCBIADPSA-N,"InChI=1S/C18H26O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h11,14-15H,4-10H2,1-3H3/t14-,15-,17-,18-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=O)C=C3CC[C@H]21,C18H26O3,,290.188194692,ZSISCNCQVRABBK,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Agathis macrophylla,1020069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Araucariaceae'],['Unknown'],['Agathis'],['Agathis macrophylla'],3,3,6.830952882766724 8424,6940,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.60032415,ISDB,ZSISCNCQVRABBK-JOCBIADPSA-N,"InChI=1S/C18H26O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h11,14-15H,4-10H2,1-3H3/t14-,15-,17-,18-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=O)C=C3CC[C@H]21,C18H26O3,,290.188194692,ZSISCNCQVRABBK,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Agathis macrophylla,1020069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Araucariaceae'],['Unknown'],['Agathis'],['Agathis macrophylla'],3,3,6.901296615600586 8425,6939,-1,,,,0.0,MS1_match,YDGALDXSZGMRLF-LWFMFQAFSA-N,"InChI=1S/C20H34O4/c1-17(2,23)20(24)9-6-14-13(11-20)15(22)10-16-18(3,12-21)7-5-8-19(14,16)4/h11,14-16,21-24H,5-10,12H2,1-4H3/t14-,15+,16-,18-,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H34O4,pos_1_1sodium,338.245709568,YDGALDXSZGMRLF,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 8426,6938,-1,,,,0.49189302,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,4.967572093009949 8427,6937,1479,Terpenoids,Triterpenoids,Limonoids,0.28376645,ISDB,UOHFQHIBGIMLQJ-DASSSYLXSA-N,"InChI=1S/C27H36O6/c1-17(2)8-6-9-18(3)10-7-11-19(4)12-13-21-16-22(14-15-23(21)28)33-27-26(31)25(30)24(29)20(5)32-27/h8,10,14-16,20,24-31H,4,6-7,9,11H2,1-3,5H3/b18-10+/t20-,24-,25+,26+,27-/m0/s1",C=C(C#Cc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O)CC/C=C(\C)CCC=C(C)C,C27H36O6,,456.2511888719999,UOHFQHIBGIMLQJ,Polyketides,Meroterpenoids,,Pestalotiopsis neglecta,405633.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Amphisphaeriaceae'],['Unknown'],['Pestalotiopsis'],['Pestalotiopsis neglecta'],1,0,2.135065793991089 8428,6936,1479,Terpenoids,Triterpenoids,Limonoids,0.35871243,ISDB,OQLGEBFKDSZURT-CHMGBORNSA-N,"InChI=1S/C26H32O7/c1-14-16-6-8-24(4)22(15-7-9-31-13-15)32-21(30)12-26(14,24)33-19-11-18(27)23(2,3)17(10-20(28)29)25(16,19)5/h7,9,13,16-17,19,22H,1,6,8,10-12H2,2-5H3,(H,28,29)/t16-,17-,19-,22-,24-,25+,26-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)O)[C@]12C,C26H32O7,,456.214803364,OQLGEBFKDSZURT,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,3,5.934849739074707 8429,6936,1479,Terpenoids,Triterpenoids,Limonoids,0.35871243,ISDB,OQLGEBFKDSZURT-CHMGBORNSA-N,"InChI=1S/C26H32O7/c1-14-16-6-8-24(4)22(15-7-9-31-13-15)32-21(30)12-26(14,24)33-19-11-18(27)23(2,3)17(10-20(28)29)25(16,19)5/h7,9,13,16-17,19,22H,1,6,8,10-12H2,2-5H3,(H,28,29)/t16-,17-,19-,22-,24-,25+,26-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)O)[C@]12C,C26H32O7,,456.214803364,OQLGEBFKDSZURT,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,3,5.934849739074707 8430,6934,2602,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6504688,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.101875305175781 8431,6932,-1,,,,0.0,MS1_match,OIWXAKXWTNBOBE-VHUJVSOESA-N,"InChI=1S/C37H54O4/c1-24(2)11-8-12-25(3)13-9-14-26(4)15-10-21-37(7)22-20-31-34-32(29-16-18-30(38)19-17-29)23-33(39)40-36(34)28(6)27(5)35(31)41-37/h16-19,24-26,32,38H,8-15,20-23H2,1-7H3/t25-,26-,32+,37+/m0/s1",Cc1c(C)c2c(c3c1O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC3)[C@@H](c1ccc(O)cc1)CC(=O)O2,C37H54O4,pos_1_minus1proton1iron,562.402210208,OIWXAKXWTNBOBE,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 8432,6930,2602,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6525171,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.110068321228027 8433,6929,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8434,6929,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8435,6929,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8436,6929,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8437,6929,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 8438,6925,-1,,,,0.7149691,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.859876394271851 8439,6924,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.64316607,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.572664260864258 8440,6923,-1,,,,0.6234564,ISDB,FPCWRALSPVOXSP-SAUZOWKASA-N,"InChI=1S/C26H32O6/c1-22(2)16(28)6-8-23(3)19-15(27)11-24(4)14(13-7-9-31-12-13)10-17-26(24,32-17)25(19,5)21(30)18(29)20(22)23/h7,9,12,14-15,17,19,27,29H,6,8,10-11H2,1-5H3/t14-,15-,17+,19+,23+,24-,25-,26+/m0/s1",CC1(C)C(=O)CC[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2[C@@H](O)C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321,C26H32O6,,440.219888744,FPCWRALSPVOXSP,Terpenoids,Triterpenoids,Limonoids,Walsura yunnanensis,5747866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Walsura'],['Walsura yunnanensis'],3,0,5.493825674057007 8441,6923,-1,,,,0.6234564,ISDB,FPCWRALSPVOXSP-SAUZOWKASA-N,"InChI=1S/C26H32O6/c1-22(2)16(28)6-8-23(3)19-15(27)11-24(4)14(13-7-9-31-12-13)10-17-26(24,32-17)25(19,5)21(30)18(29)20(22)23/h7,9,12,14-15,17,19,27,29H,6,8,10-11H2,1-5H3/t14-,15-,17+,19+,23+,24-,25-,26+/m0/s1",CC1(C)C(=O)CC[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2[C@@H](O)C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321,C26H32O6,,440.219888744,FPCWRALSPVOXSP,Terpenoids,Triterpenoids,Limonoids,Walsura pinnata,5747866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Walsura'],['Walsura yunnanensis'],3,0,5.493825674057007 8442,6922,-1,,,,0.54373354,ISDB,FOYRDDNHAXUWDF-GBOSRWDWSA-N,"InChI=1S/C24H32O6/c1-13-16-8-10-28-19(16)12-18-17(13)11-21(30-15(3)26)24(27)22(4,5)9-7-20(23(18,24)6)29-14(2)25/h8,10,17-18,20-21,27H,1,7,9,11-12H2,2-6H3/t17-,18-,20-,21-,23-,24+/m0/s1",C=C1c2ccoc2C[C@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C,C24H32O6,,416.2198887439999,FOYRDDNHAXUWDF,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],3,0,5.174934148788452 8443,6922,-1,,,,0.54373354,ISDB,FOYRDDNHAXUWDF-GBOSRWDWSA-N,"InChI=1S/C24H32O6/c1-13-16-8-10-28-19(16)12-18-17(13)11-21(30-15(3)26)24(27)22(4,5)9-7-20(23(18,24)6)29-14(2)25/h8,10,17-18,20-21,27H,1,7,9,11-12H2,2-6H3/t17-,18-,20-,21-,23-,24+/m0/s1",C=C1c2ccoc2C[C@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C,C24H32O6,,416.2198887439999,FOYRDDNHAXUWDF,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,0,5.174934148788452 8444,6921,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 8445,6921,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,0,6.0 8446,6921,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,0,6.0 8447,6921,-1,,,,0.0,MS1_match,KTINUDQBMALVIX-IWVJKAJDSA-N,"InChI=1S/C31H50O6/c1-18-10-13-31(25(35)37-7)15-14-28(4)19(23(31)30(18,6)36)8-9-22-26(2)16-20(33)24(34)27(3,17-32)21(26)11-12-29(22,28)5/h8,18,20-24,32-34,36H,9-17H2,1-7H3/t18-,20-,21-,22-,23-,24-,26+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,KTINUDQBMALVIX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus xanthocarpus,3907075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus xanthocarpus'],6,0,6.0 8448,6921,-1,,,,0.0,MS1_match,RFCWIDTZVWTUPH-FPLUOKDJSA-N,"InChI=1S/C31H50O6/c1-17-9-12-31(25(35)37-8)14-13-28(5)18(22(31)30(17,7)36)15-19(32)23-27(4)16-20(33)24(34)26(2,3)21(27)10-11-29(23,28)6/h15,17,19-24,32-34,36H,9-14,16H2,1-8H3/t17-,19-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1",COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=C[C@@H](O)[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O6,pos_1_minus1proton1iron,518.3607393199999,RFCWIDTZVWTUPH,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 8449,6920,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51622796,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.564911842346191 8450,6918,-1,,,,0.7918311,ISDB,BFCPRIFFJUHFAD-UHFFFAOYSA-N,"InChI=1S/C14H24N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",O=C(NC1CCCCC1)C(=O)NC1CCCCC1,C14H24N2O2,,252.183778008,BFCPRIFFJUHFAD,,,,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],3,0,6.1673243045806885 8451,6914,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,NWRAOEGVNDIBIM-PZVFIVNOSA-N,"InChI=1S/C36H56O8/c1-18(2)13-20-14-19(3)28-23(42-20)15-34(6)25-11-9-21-22(36(25,8)26(38)16-35(28,34)7)10-12-27(33(21,4)5)44-32-31(41)30(40)29(39)24(17-37)43-32/h9,13,19-20,22-25,27-32,37,39-41H,10-12,14-17H2,1-8H3/t19-,20+,22-,23-,24-,25+,27+,28+,29-,30+,31-,32+,34+,35-,36+/m1/s1",CC(C)=C[C@H]1C[C@@H](C)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1,C36H56O8,pos_1_minus1proton1iron,616.397518752,NWRAOEGVNDIBIM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Kageneckia angustifolia,782145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Kageneckia'],['Kageneckia angustifolia'],6,2,7.0 8452,6913,-1,,,,0.0,MS1_match,ZAYXCFZRTAJXMC-QUSNUVHPSA-N,"InChI=1S/C17H26O3/c1-16(10-18)6-3-7-17(2)13-5-4-11(19)8-12(13)14(20)9-15(16)17/h8,13-15,18,20H,3-7,9-10H2,1-2H3/t13-,14-,15-,16-,17+/m0/s1",C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@@H](O)C[C@@H]12,C17H26O3,pos_1_1proton1dmso,278.188194692,ZAYXCFZRTAJXMC,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.0 8453,6912,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50988257,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.539530277252197 8454,6911,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51330364,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.55321455001831 8455,6910,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6480297,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.592118740081787 8456,6908,248,Amino acids and Peptides,Oligopeptides,,0.25764608,ISDB,UGCXWVUSHLHZJY-UTRUBKBJSA-N,"InChI=1S/C35H63N9O11/c1-9-19(7)28(44-32(51)22(12-18(5)6)39-26(47)14-36)34(53)42-24(16-45)33(52)41-23(13-25(37)46)31(50)40-21(11-17(3)4)30(49)38-15-27(48)43-29(35(54)55)20(8)10-2/h17-24,28-29,45H,9-16,36H2,1-8H3,(H2,37,46)(H,38,49)(H,39,47)(H,40,50)(H,41,52)(H,42,53)(H,43,48)(H,44,51)(H,54,55)/t19-,20+,21+,22+,23+,24+,28+,29+/m1/s1",CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC,C35H63N9O11,,785.464703836,UGCXWVUSHLHZJY,Amino acids and Peptides,Oligopeptides,,Limnodynastes salmini,952131.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Myobatrachidae'],['Unknown'],['Limnodynastes'],['Limnodynastes salmini'],1,2,3.0305843353271484 8457,6907,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.21946366,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.377854645252228 8458,6905,2275,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6407563,ISDB,UAJIAJOUVSPPNY-RDIJYYOSSA-N,"InChI=1S/C26H36O6/c1-23(2)17-7-10-25(4)18(24(17,3)9-8-19(23)29)5-6-20(30)26(25)12-15-21(31)16(28)11-14(13-27)22(15)32-26/h11,13,17-20,28-31H,5-10,12H2,1-4H3/t17-,18+,19-,20-,24-,25+,26-/m0/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H](O)[C@@]4(Cc5c(O)c(O)cc(C=O)c5O4)[C@]3(C)CC[C@@H]12,C26H36O6,,444.2511888719999,UAJIAJOUVSPPNY,Polyketides,Meroterpenoids,,Stypopodium flabelliforme,250717.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Stypopodium'],['Stypopodium flabelliforme'],1,0,3.5630252361297607 8459,6904,-1,,,,0.44704786,ISDB,SNZVYWPNUDUKMW-XNTOXWQXSA-N,"InChI=1S/C23H32N2O4/c26-15-18-12-17(20-7-4-8-22(27)24-20)14-25-10-9-19(13-21(18)25)29-23(28)11-16-5-2-1-3-6-16/h1-3,5-6,17-21,26H,4,7-15H2,(H,24,27)/t17-,18+,19-,20-,21+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](OC(=O)Cc4ccccc4)CCN3C2)N1,C23H32N2O4,,400.236207504,SNZVYWPNUDUKMW,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,4.788191437721252 8460,6903,2479,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59251666,ISDB,DYNISIGUMYFVJW-OCBLOMHFSA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.87006664276123 8461,6903,2479,Terpenoids,Diterpenoids,Abietane diterpenoids,0.59251666,ISDB,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.87006664276123 8462,6902,2275,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6447653,ISDB,UAJIAJOUVSPPNY-RDIJYYOSSA-N,"InChI=1S/C26H36O6/c1-23(2)17-7-10-25(4)18(24(17,3)9-8-19(23)29)5-6-20(30)26(25)12-15-21(31)16(28)11-14(13-27)22(15)32-26/h11,13,17-20,28-31H,5-10,12H2,1-4H3/t17-,18+,19-,20-,24-,25+,26-/m0/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H](O)[C@@]4(Cc5c(O)c(O)cc(C=O)c5O4)[C@]3(C)CC[C@@H]12,C26H36O6,,444.2511888719999,UAJIAJOUVSPPNY,Polyketides,Meroterpenoids,,Stypopodium flabelliforme,250717.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Dictyotales'],['Dictyotaceae'],['Unknown'],['Stypopodium'],['Stypopodium flabelliforme'],1,0,3.579061269760132 8463,6901,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1sodium,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 8464,6898,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6142496,ISDB,SUNUQCQIFHHEOW-UHFFFAOYSA-N,"InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1,C20H20O8,,388.1158176,SUNUQCQIFHHEOW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],6,3,9.956998348236084 8465,6897,897,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KZDNDRBHZYIMSA-SANMLTNESA-N,"InChI=1S/C32H24O10/c1-39-18-6-3-15(4-7-18)25-13-23(37)31-24(38)14-27(40-2)29(32(31)42-25)19-9-16(5-8-20(19)34)26-12-22(36)30-21(35)10-17(33)11-28(30)41-26/h3-11,13-14,26,33-35,38H,12H2,1-2H3/t26-/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4cc([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)ccc4O)c3o2)cc1,C32H24O10,pos_1_1proton,568.136946968,KZDNDRBHZYIMSA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,8.5 8466,6896,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1proton,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,2,7.0 8467,6894,1591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4900715,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.460286021232605 8468,6891,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5088664,ISDB,SGSLKSWEAHEFTA-UHFFFAOYSA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)",CC12C=CC3(C1)C(O)CC1C(C)(COC(=O)CCC(=O)O)CCCC1(C)C3CC2,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helipterum floribundum,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.535465717315674 8469,6891,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.5088664,ISDB,SGSLKSWEAHEFTA-PKWIELLASA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)/t16-,17-,18+,21-,22-,23+,24-/m1/s1",C[C@@]12C=C[C@@]3(C1)[C@H](CC2)[C@]1(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@@H]3O,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Rhodanthe floribunda,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.535465717315674 8470,6890,1591,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4282736,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,3,9.213094353675842 8471,6889,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5517773,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.707109212875366 8472,6886,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33953017,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.858120679855347 8473,6886,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33953017,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.858120679855347 8474,6885,-1,,,,0.0,MS1_match,OJGRBKZBRBHZGE-NBVRZTHBSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-32(49)28(45)34(22(54-38)16-50-35-29(46)25(42)23(40)19(5)51-35)56-37-31(48)27(44)33(21(7)53-37)55-36-30(47)26(43)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+",C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O,C39H66O18,pos_1_1sodium,822.424915272,OJGRBKZBRBHZGE,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 8475,6885,-1,,,,0.0,MS1_match,RTDSIIMUYUALQO-BWJXBXLQSA-N,"InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-/m0/s1",C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C39H66O18,pos_1_1sodium,822.424915272,RTDSIIMUYUALQO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 8476,6884,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.55595416,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.723816633224487 8477,6883,3595,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.8028903,ISDB,PTKBMDRXKOIHCA-UHFFFAOYSA-N,"InChI=1S/C31H20O10/c1-38-27-14-26-29(22(36)13-24(41-26)15-2-6-17(32)7-3-15)30(37)31(27)39-19-8-4-16(5-9-19)23-12-21(35)28-20(34)10-18(33)11-25(28)40-23/h2-14,32-34,37H,1H3",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C31H20O10,,552.10564684,PTKBMDRXKOIHCA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus virginiana,78161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus virginiana'],6,3,10.71156120300293 8478,6882,-1,,,,0.0,MS1_match,JUEBQBAOJUSWOQ-UHFFFAOYSA-N,"InChI=1S/C21H22O5/c1-25-20-12-21(26-2)17-11-14(20)6-8-15(22)4-3-5-18(23)13-7-9-19(24)16(17)10-13/h7,9-12,24H,3-6,8H2,1-2H3",COc1cc(OC)c2cc1CCC(=O)CCCC(=O)c1ccc(O)c-2c1,C21H22O5,pos_1_1proton1isopropanol,354.146723804,JUEBQBAOJUSWOQ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,7.0 8479,6882,-1,,,,0.0,MS1_match,JUEBQBAOJUSWOQ-UHFFFAOYSA-N,"InChI=1S/C21H22O5/c1-25-20-12-21(26-2)17-11-14(20)6-8-15(22)4-3-5-18(23)13-7-9-19(24)16(17)10-13/h7,9-12,24H,3-6,8H2,1-2H3",COc1cc(OC)c2cc1CCC(=O)CCCC(=O)c1ccc(O)c-2c1,C21H22O5,pos_1_1proton1isopropanol,354.146723804,JUEBQBAOJUSWOQ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,0,7.0 8480,6881,1124,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51723623,ISDB,NZQIHCWNAMEWEW-KKSFZXQISA-N,"InChI=1S/C21H28O4/c1-11(2)15-10-17(22)18-14(19(15)25-5)6-7-16-12(3)13(20(23)24)8-9-21(16,18)4/h10-11,16,22H,6-9H2,1-5H3,(H,23,24)/t16-,21-/m0/s1",COc1c(C(C)C)cc(O)c2c1CC[C@H]1C(C)=C(C(=O)O)CC[C@]21C,C21H28O4,,344.19875937599994,NZQIHCWNAMEWEW,Terpenoids,Diterpenoids,Abietane diterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],3,3,6.568944931030273 8481,6880,-1,,,,0.0,MS1_match,XAONUVWZDSSGIV-CEWKJYAJSA-N,"InChI=1S/C32H36O12/c33-21(10-6-18-8-12-23(34)25(36)14-18)16-22(11-7-19-9-13-24(35)26(37)15-19)43-32-30(40)29(39)28(38)27(44-32)17-42-31(41)20-4-2-1-3-5-20/h1-5,8-9,12-15,22,27-30,32,34-40H,6-7,10-11,16-17H2/t22-,27+,28+,29-,30+,32+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O,C32H36O12,pos_2_2sodium,612.220676592,XAONUVWZDSSGIV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],6,0,6.0 8482,6878,-1,,,,0.6576438,ISDB,XIYYPYFGGHPNHU-RCSCSQPYSA-N,"InChI=1S/C26H30O5/c1-4-8-17-13-14-26(2,29)25-21(17)23-20(30-3)15-19(28)22(24(23)31-25)18(27)12-11-16-9-6-5-7-10-16/h5-7,9-12,15,17,21,25,28-29H,4,8,13-14H2,1-3H3/b12-11+/t17-,21-,25+,26+/m0/s1",CCC[C@H]1CC[C@@](C)(O)[C@@H]2Oc3c(C(=O)/C=C/c4ccccc4)c(O)cc(OC)c3[C@H]12,C26H30O5,,422.20932406,XIYYPYFGGHPNHU,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],3,0,5.630575180053711 8483,6874,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6975724,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7902896404266357 8484,6873,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66221595,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6488637924194336 8485,6872,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,8.5 8486,6872,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,8.5 8487,6871,2547,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.3904427,ISDB,IBCAWXJQHQPFKN-IIQDEMOSSA-N,"InChI=1S/C27H38O7/c1-8-10-23(30)33-24-20-14-19(29)15-21-26(6,12-11-16(3)9-2)17(4)13-22(31-7)27(20,21)25(34-24)32-18(5)28/h9,14,17,21-22,24-25H,2-3,8,10-13,15H2,1,4-7H3/t17-,21+,22+,24+,25-,26-,27-/m0/s1",C=CC(=C)CC[C@]1(C)[C@H]2CC(=O)C=C3[C@H](OC(=O)CCC)O[C@H](OC(C)=O)[C@@]32[C@H](OC)C[C@@H]1C,C27H38O7,,474.261753556,IBCAWXJQHQPFKN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Casearia velutina,323159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Samydeae'],['Casearia'],['Casearia velutina'],3,3,6.061770796775818 8488,6869,-1,,,,0.4240084,ISDB,TYVCBWCQQAMFRG-HNNXBMFYSA-N,"InChI=1S/C15H22O2/c1-11-5-4-8-14(2,3)15(11)9-6-12(7-10-15)13(16)17/h6H,1,4-5,7-10H2,2-3H3,(H,16,17)/t15-/m0/s1",C=C1CCCC(C)(C)[C@]12CC=C(C(=O)O)CC2,C15H22O2,,234.161979944,TYVCBWCQQAMFRG,Terpenoids,Sesquiterpenoids,Chamigrane sesquiterpenoids,Juniperus virginiana var. silicicola,287288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus virginiana'],6,0,7.696033596992493 8489,6869,-1,,,,0.4240084,ISDB,TYVCBWCQQAMFRG-HNNXBMFYSA-N,"InChI=1S/C15H22O2/c1-11-5-4-8-14(2,3)15(11)9-6-12(7-10-15)13(16)17/h6H,1,4-5,7-10H2,2-3H3,(H,16,17)/t15-/m0/s1",C=C1CCCC(C)(C)[C@]12CC=C(C(=O)O)CC2,C15H22O2,,234.161979944,TYVCBWCQQAMFRG,Terpenoids,Sesquiterpenoids,Chamigrane sesquiterpenoids,Juniperus squamata,992446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus squamata'],6,0,7.696033596992493 8490,6868,-1,,,,0.56834567,ISDB,PVJKHWJZXRQYBT-CYBMUJFWSA-N,"InChI=1S/C19H24O2/c1-10(2)12-9-11-5-6-13-16-14(7-8-19(13,3)4)21-18(15(11)16)17(12)20/h9-10,13,20H,5-8H2,1-4H3/t13-/m1/s1",CC(C)c1cc2c3c4c(oc3c1O)CCC(C)(C)[C@@H]4CC2,C19H24O2,,284.177630008,PVJKHWJZXRQYBT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia,374096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Unknown'],3,0,5.273382663726807 8491,6867,-1,,,,0.0,MS1_match,COEBHSNHYKFGAA-DMFCBCPGSA-N,"InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3+/t16-,17-,18+,19-,20+,21-/m0/s1",CC/C=C/C[C@@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H36N2O4,pos_1_1proton1dmso,404.267507632,COEBHSNHYKFGAA,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista pilosa,255204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista pilosa'],6,0,6.0 8492,6867,-1,,,,0.0,MS1_match,COEBHSNHYKFGAA-DMFCBCPGSA-N,"InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3+/t16-,17-,18+,19-,20+,21-/m0/s1",CC/C=C/C[C@@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H36N2O4,pos_1_1proton1dmso,404.267507632,COEBHSNHYKFGAA,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista pseudopilosa,255202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista pseudopilosa'],6,0,6.0 8493,6867,-1,,,,0.0,MS1_match,COEBHSNHYKFGAA-DMFCBCPGSA-N,"InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3+/t16-,17-,18+,19-,20+,21-/m0/s1",CC/C=C/C[C@@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H36N2O4,pos_1_1proton1dmso,404.267507632,COEBHSNHYKFGAA,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista ramosissima,1044103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista ramosissima'],6,0,6.0 8494,6867,-1,,,,0.0,MS1_match,COEBHSNHYKFGAA-DMFCBCPGSA-N,"InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3+/t16-,17-,18+,19-,20+,21-/m0/s1",CC/C=C/C[C@@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H36N2O4,pos_1_1proton1dmso,404.267507632,COEBHSNHYKFGAA,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista obtusiramea,255203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista obtusiramea'],6,0,6.0 8495,6867,-1,,,,0.0,MS1_match,COEBHSNHYKFGAA-DMFCBCPGSA-N,"InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3+/t16-,17-,18+,19-,20+,21-/m0/s1",CC/C=C/C[C@@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H36N2O4,pos_1_1proton1dmso,404.267507632,COEBHSNHYKFGAA,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista florida,554257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista florida'],6,0,6.0 8496,6867,-1,,,,0.0,MS1_match,COEBHSNHYKFGAA-DMFCBCPGSA-N,"InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3+/t16-,17-,18+,19-,20+,21-/m0/s1",CC/C=C/C[C@@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H36N2O4,pos_1_1proton1dmso,404.267507632,COEBHSNHYKFGAA,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista teretifolia,778308.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista teretifolia'],6,0,6.0 8497,6867,-1,,,,0.0,MS1_match,COEBHSNHYKFGAA-DMFCBCPGSA-N,"InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3+/t16-,17-,18+,19-,20+,21-/m0/s1",CC/C=C/C[C@@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H36N2O4,pos_1_1proton1dmso,404.267507632,COEBHSNHYKFGAA,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista cinerascens,799783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista cinerascens'],6,0,6.0 8498,6867,-1,,,,0.0,MS1_match,COEBHSNHYKFGAA-DMFCBCPGSA-N,"InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3+/t16-,17-,18+,19-,20+,21-/m0/s1",CC/C=C/C[C@@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H36N2O4,pos_1_1proton1dmso,404.267507632,COEBHSNHYKFGAA,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Genista cinerea,554254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista cinerea'],6,0,6.0 8499,6865,-1,,,,0.6764781,ISDB,BIGPRINNJQVXFC-UHFFFAOYSA-N,"InChI=1S/C21H30N2O2/c1-4-12(11-24)13-9-16-19-21(10-17(22(16)2)18(13)20(21)25)14-7-5-6-8-15(14)23(19)3/h5-8,12-13,16-20,24-25H,4,9-11H2,1-3H3",CCC(CO)C1CC2C3N(C)c4ccccc4C34CC(C1C4O)N2C,C21H30N2O2,,342.2307282,BIGPRINNJQVXFC,Alkaloids,Tryptophan alkaloids,Corynanthe type,Rauvolfia serpentina,1050238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Rauvolfia'],['Rauvolfia serpentina'],4,0,6.705912351608276 8500,6863,-1,,,,0.53968155,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],3,0,5.158726215362549 8501,6863,-1,,,,0.53968155,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],3,0,5.158726215362549 8502,6863,-1,,,,0.53968155,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],3,0,5.158726215362549 8503,6862,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.25940803,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.53763210773468 8504,6860,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.2845517,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,7.638206839561462 8505,6859,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.74292153,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9716861248016357 8506,6858,-1,,,,0.47406274,ISDB,ZKGCXEGVGZLKCO-NJZAAPMLSA-N,"InChI=1S/C15H20O3/c1-9-6-12(18-8-9)7-11(3)13-5-4-10(2)14(16)15(13)17/h4,6,8,11,13,15,17H,5,7H2,1-3H3/t11-,13+,15+/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)[C@@H](O)C1=O,C15H20O3,,248.1412445,ZKGCXEGVGZLKCO,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,7.89625096321106 8507,6857,-1,,,,0.4222463,ISDB,KATZGWUZXSGURX-NYYWCZLTSA-N,"InChI=1S/C15H18O2/c1-11(8-14-9-12(2)10-17-14)4-5-15-13(3)6-7-16-15/h4,6-7,9-10H,5,8H2,1-3H3/b11-4+",C/C(=C\Cc1occc1C)Cc1cc(C)co1,C15H18O2,,230.130679816,KATZGWUZXSGURX,Terpenoids,,,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],5,0,6.688985228538513 8508,6856,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.66373175,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.154927015304565 8509,6856,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.66373175,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.154927015304565 8510,6854,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.27768046,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,4.110721826553345 8511,6852,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6637623,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.155049085617065 8512,6852,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.6637623,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.155049085617065 8513,6851,1400,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 8514,6851,1400,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 8515,6850,-1,,,,0.5294862,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.117944717407227 8516,6850,-1,,,,0.5294862,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,0,7.117944717407227 8517,6849,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6637987,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.1551947593688965 8518,6849,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6637987,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.1551947593688965 8519,6849,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6637987,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.1551947593688965 8520,6849,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6637987,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.1551947593688965 8521,6849,1719,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6637987,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.1551947593688965 8522,6847,-1,,,,0.4199487,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,8.679794788360596 8523,6844,-1,,,,0.22371477,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,3.8948590755462646 8524,6843,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6566283,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,11.126513242721558 8525,6843,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6566283,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,11.126513242721558 8526,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,3,8.53246259689331 8527,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],4,3,8.53246259689331 8528,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],4,3,8.53246259689331 8529,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],4,3,8.53246259689331 8530,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.53246259689331 8531,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.53246259689331 8532,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],4,3,8.53246259689331 8533,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],4,3,8.53246259689331 8534,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.53246259689331 8535,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.53246259689331 8536,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],4,3,8.53246259689331 8537,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],4,3,8.53246259689331 8538,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,3,8.53246259689331 8539,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],4,3,8.53246259689331 8540,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],4,3,8.53246259689331 8541,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],4,3,8.53246259689331 8542,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,3,8.53246259689331 8543,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],4,3,8.53246259689331 8544,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],4,3,8.53246259689331 8545,6842,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75811565,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],4,3,8.53246259689331 8546,6841,630,Terpenoids,Diterpenoids,Labdane diterpenoids,0.30852607,ISDB,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,7.73410427570343 8547,6839,-1,,,,0.0,MS1_match,TWBVZVAEDWRAJO-VJIFFPPFSA-N,"InChI=1S/C30H46O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-24H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,29+,30+/m0/s1",C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C,C30H46O2,pos_2MFe,438.349780712,TWBVZVAEDWRAJO,Terpenoids,Triterpenoids,Onocerane triterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 8548,6839,-1,,,,0.0,MS1_match,VZPCWSKCBLYYSO-WFHLZTHJSA-N,"InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-23H,9-18H2,1-7H3/t20-,21-,22-,23-,28-,29+,30-/m0/s1",CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@H]12,C30H46O2,pos_2MFe,438.349780712,VZPCWSKCBLYYSO,Terpenoids,Triterpenoids,Serratane triterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,0,6.0 8549,6838,185,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.41024566,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,6.140982627868652 8550,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-BBEQLWDVSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 8551,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 8552,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 8553,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KGDLSCYYZVWTEV-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C,C36H56O9,pos_1_minus1proton1iron,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 8554,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KGDLSCYYZVWTEV-WNFJHCJXSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C2[C@H]1C)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]2CC[C@]13C,C36H56O9,pos_1_minus1proton1iron,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 8555,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,GWYQGWNTTYSJEW-WAZFAAFDSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O9,pos_1_minus1proton1iron,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 8556,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,GWYQGWNTTYSJEW-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3",CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1,C36H56O9,pos_1_minus1proton1iron,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 8557,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 8558,6837,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 8559,6836,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.49364552,ISDB,FDHSDGVDEVPEGH-UIIZSYBASA-N,"InChI=1S/C35H58O6/c1-10-20(2)29(40)41-26-18-30(3,4)17-22-21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)27(38)28(39)35(22,26)19-36/h11,20,22-28,36-39H,10,12-19H2,1-9H3/t20-,22+,23+,24-,25+,26+,27+,28-,32+,33-,34+,35-/m1/s1",CC[C@@H](C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO,C35H58O6,,574.423339576,FDHSDGVDEVPEGH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pittosporum undulatum,464108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Pittosporaceae'],['Unknown'],['Pittosporum'],['Pittosporum undulatum'],4,1,6.474582076072693 8560,6835,630,Terpenoids,Diterpenoids,Labdane diterpenoids,0.31920367,ISDB,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,3,7.776814699172974 8561,6834,-1,,,,0.29146895,ISDB,BFPJOJFVZXWMSM-QWWQXMGCSA-N,"InChI=1S/C32H26O10/c1-39-19-9-5-16(6-10-19)32-28(30(38)26-22(36)13-20(40-2)14-24(26)42-32)27-29(37)25-21(35)11-18(34)12-23(25)41-31(27)15-3-7-17(33)8-4-15/h3-14,27-28,31-36H,1-2H3/t27-,28-,31-,32-/m1/s1",COc1ccc([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1,C32H26O10,,570.152597032,BFPJOJFVZXWMSM,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Stellera chamaejasme,191882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Stellera'],['Stellera chamaejasme'],3,0,4.165875792503357 8562,6832,-1,,,,0.0,MS1_match,QCDYOIZVELGOLZ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1,C18H16O6,pos_1_1sodium,328.094688232,QCDYOIZVELGOLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 8563,6832,-1,,,,0.0,MS1_match,VOLPCZWHFBZDQT-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-16-14(20)13-11(19)9-12(10-7-5-4-6-8-10)24-15(13)17(22-2)18(16)23-3/h4-9,20H,1-3H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC,C18H16O6,pos_1_1sodium,328.09468823199995,VOLPCZWHFBZDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,0,7.0 8564,6832,-1,,,,0.0,MS1_match,GJNBMHAJVZLBEQ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-12-9-11-13(14(19)17(12)22-2)15(20)18(23-3)16(24-11)10-7-5-4-6-8-10/h4-9,19H,1-3H3",COc1cc2oc(-c3ccccc3)c(OC)c(=O)c2c(O)c1OC,C18H16O6,pos_1_1sodium,328.094688232,GJNBMHAJVZLBEQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,0,7.0 8565,6831,-1,,,,0.31074858,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,0,8.24299430847168 8566,6830,148,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,QCDYOIZVELGOLZ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1,C18H16O6,pos_1_1proton,328.094688232,QCDYOIZVELGOLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,1,7.5 8567,6830,148,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,VOLPCZWHFBZDQT-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-16-14(20)13-11(19)9-12(10-7-5-4-6-8-10)24-15(13)17(22-2)18(16)23-3/h4-9,20H,1-3H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC,C18H16O6,pos_1_1proton,328.09468823199995,VOLPCZWHFBZDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,1,7.5 8568,6830,148,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GJNBMHAJVZLBEQ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-12-9-11-13(14(19)17(12)22-2)15(20)18(23-3)16(24-11)10-7-5-4-6-8-10/h4-9,19H,1-3H3",COc1cc2oc(-c3ccccc3)c(OC)c(=O)c2c(O)c1OC,C18H16O6,pos_1_1proton,328.094688232,GJNBMHAJVZLBEQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,1,7.5 8569,6829,-1,,,,0.0,MS1_match,QCDYOIZVELGOLZ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1,C18H16O6,pos_2MNa,328.094688232,QCDYOIZVELGOLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 8570,6829,-1,,,,0.0,MS1_match,VOLPCZWHFBZDQT-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-16-14(20)13-11(19)9-12(10-7-5-4-6-8-10)24-15(13)17(22-2)18(16)23-3/h4-9,20H,1-3H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC,C18H16O6,pos_2MNa,328.09468823199995,VOLPCZWHFBZDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,0,7.0 8571,6829,-1,,,,0.0,MS1_match,GJNBMHAJVZLBEQ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-12-9-11-13(14(19)17(12)22-2)15(20)18(23-3)16(24-11)10-7-5-4-6-8-10/h4-9,19H,1-3H3",COc1cc2oc(-c3ccccc3)c(OC)c(=O)c2c(O)c1OC,C18H16O6,pos_2MNa,328.094688232,GJNBMHAJVZLBEQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,0,7.0 8572,6828,2688,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_2MH,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8573,6828,2688,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_2MH,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8574,6828,2688,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_2MH,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 8575,6827,3259,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.7599555,ISDB,UPGREHAFOATQFI-GGURZLOHSA-N,"InChI=1S/C19H28O3/c1-11(2)19-9-6-13-12(16(19)22-19)10-14(20)15-17(13,3)7-5-8-18(15,4)21/h10-11,13,15-16,21H,5-9H2,1-4H3/t13-,15+,16-,17+,18-,19-/m0/s1",CC(C)[C@@]12CC[C@H]3C(=CC(=O)[C@@H]4[C@]3(C)CCC[C@]4(C)O)[C@@H]1O2,C19H28O3,,304.203844756,UPGREHAFOATQFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,2,9.039822101593018 8576,6826,-1,,,,0.42972746,ISDB,LRYKWHACOCKPKB-SGFSRKTBSA-N,"InChI=1S/C19H24O3/c1-11(20)12-5-6-14-13(9-12)10-15-16-18(14,2)7-4-8-19(16,3)17(21)22-15/h9-10,14-16H,4-8H2,1-3H3/t14-,15+,16+,18+,19-/m0/s1",CC(=O)C1=CC2=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@](C)([C@@H]34)[C@H]2CC1,C19H24O3,,300.172544628,LRYKWHACOCKPKB,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,6.718909859657288 8577,6825,-1,,,,0.41182005,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,6.647280216217041 8578,6824,3259,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.6166411,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,9.466564416885376 8579,6823,577,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,ORJVLIMAQARNOU-SYQXSARVSA-N,"InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8+,11-7+/t14-,15+,16+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(C)=O)[C@H]12,C17H22O4,pos_1_1proton1ammonium,290.151809184,ORJVLIMAQARNOU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,8.5 8580,6821,-1,,,,0.72176594,ISDB,SWTZTWQASUSBIY-SMMRIJLZSA-N,"InChI=1S/C20H32O2/c1-13(2)20(22)10-7-15-14(12-20)16(21)11-17-18(3,4)8-6-9-19(15,17)5/h12-13,15,17,22H,6-11H2,1-5H3/t15-,17-,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,SWTZTWQASUSBIY,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.88706374168396 8581,6820,-1,,,,0.0,MS1_match,JFEDUPNXIYCJAV-UKONTPBQSA-N,"InChI=1S/C30H50O5/c1-17-8-13-29(24(33)34)15-14-28(7)27(6)12-9-19-25(3,4)21(31)10-11-26(19,5)20(27)16-22(32)30(28,35)23(29)18(17)2/h17-23,31-32,35H,8-16H2,1-7H3,(H,33,34)/t17-,18+,19+,20-,21+,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@](O)([C@H]12)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C,C30H50O5,pos_1_minus1proton1iron,490.3658247,JFEDUPNXIYCJAV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],6,0,6.0 8582,6820,-1,,,,0.0,MS1_match,JFEDUPNXIYCJAV-UKONTPBQSA-N,"InChI=1S/C30H50O5/c1-17-8-13-29(24(33)34)15-14-28(7)27(6)12-9-19-25(3,4)21(31)10-11-26(19,5)20(27)16-22(32)30(28,35)23(29)18(17)2/h17-23,31-32,35H,8-16H2,1-7H3,(H,33,34)/t17-,18+,19+,20-,21+,22+,23-,26+,27-,28+,29+,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@](O)([C@H]12)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C,C30H50O5,pos_1_minus1proton1iron,490.3658247,JFEDUPNXIYCJAV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],6,0,6.0 8583,6819,-1,,,,0.24566823,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Thuja standishii,1047130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja standishii'],6,0,6.982672929763794 8584,6819,-1,,,,0.24566823,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,0,6.982672929763794 8585,6819,-1,,,,0.24566823,ISDB,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.982672929763794 8586,6818,-1,,,,0.540658,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,9.16263198852539 8587,6817,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5390014,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.656005620956421 8588,6817,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5390014,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.656005620956421 8589,6817,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5390014,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.656005620956421 8590,6817,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5390014,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.656005620956421 8591,6817,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5390014,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.656005620956421 8592,6816,342,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.73610353,ISDB,CLOLDMTTYQNMNE-YYOUGLFJSA-N,"InChI=1S/C22H32O5/c1-13(25)27-19-6-7-20(2)16-5-4-14-9-22(16,10-15(14)11-23)18(26)8-17(20)21(19,3)12-24/h10-11,14,16-19,24,26H,4-9,12H2,1-3H3/t14-,16+,17+,18+,19-,20+,21-,22-/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@]34C=C(C=O)[C@H](CC[C@@H]23)C4)[C@@]1(C)CO,C22H32O5,,376.224974124,CLOLDMTTYQNMNE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Sideritis hirsuta,7629238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis hirsuta'],3,3,7.444414138793945 8593,6815,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.33663827,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.846553087234497 8594,6814,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32244995,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.789799809455872 8595,6813,-1,,,,0.3176478,ISDB,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,8.270591259002686 8596,6812,-1,,,,0.69528127,ISDB,WRAJYVCWLBXQEW-PHXBYCTMSA-N,"InChI=1S/C20H30O2/c1-12(2)8-7-9-14(5)17-11-15-10-16(13(3)4)18(17)19(21)20(15,6)22/h8,10,13,15,17-18,22H,5,7,9,11H2,1-4,6H3/t15-,17-,18+,20-/m1/s1",C=C(CCC=C(C)C)[C@H]1C[C@H]2C=C(C(C)C)[C@@H]1C(=O)[C@]2(C)O,C20H30O2,,302.2245802,WRAJYVCWLBXQEW,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Chamaecyparis obtusa var. formosana,800336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,0,7.781125068664551 8597,6812,-1,,,,0.69528127,ISDB,WRAJYVCWLBXQEW-BOLBYERCSA-N,"InChI=1S/C20H30O2/c1-12(2)8-7-9-14(5)17-11-15-10-16(13(3)4)18(17)19(21)20(15,6)22/h8,10,13,15,17-18,22H,5,7,9,11H2,1-4,6H3/t15-,17-,18+,20-/m0/s1",C=C(CCC=C(C)C)[C@@H]1C[C@@H]2C=C(C(C)C)[C@H]1C(=O)[C@@]2(C)O,C20H30O2,,302.2245802,WRAJYVCWLBXQEW,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,0,7.781125068664551 8598,6811,731,Fatty acids,Sphingolipids,Sphingoid bases,0.61758846,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,7.970353841781616 8599,6811,731,Fatty acids,Sphingolipids,Sphingoid bases,0.61758846,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.970353841781616 8600,6810,731,Fatty acids,Sphingolipids,Sphingoid bases,0.6069653,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,7.927861213684082 8601,6810,731,Fatty acids,Sphingolipids,Sphingoid bases,0.6069653,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.927861213684082 8602,6809,-1,,,,0.536508,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,8.146032094955444 8603,6808,-1,,,,0.41714203,ISDB,RFOCIKIRPCYOTG-QYYSKZFYSA-N,"InChI=1S/C24H32O6/c1-11(2)24-12(25)10-22(5,28)17(24)13-14(19(24)26)23-9-7-8-21(3,4)18(23)16(15(13)29-6)30-20(23)27/h11,15-18,28H,7-10H2,1-6H3/t15-,16+,17-,18-,22-,23-,24+/m0/s1",CO[C@H]1C2=C(C(=O)[C@]3(C(C)C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C24H32O6,,416.219888744,RFOCIKIRPCYOTG,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia apiana,466625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia apiana'],3,0,4.668568134307861 8604,6807,-1,,,,0.0,MS1_match,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,pos_1_1sodium,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 8605,6807,-1,,,,0.0,MS1_match,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,pos_1_1sodium,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,0,6.0 8606,6807,-1,,,,0.0,MS1_match,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,pos_1_1sodium,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Thuja standishii,1047130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja standishii'],6,0,6.0 8607,6806,-1,,,,0.7132624,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],3,0,5.8530495166778564 8608,6806,-1,,,,0.7132624,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],3,0,5.8530495166778564 8609,6805,-1,,,,0.70161843,ISDB,GLFMZGODSSXZRK-NVSXQWMQSA-N,"InChI=1S/C24H36O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h14,17-21H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H36O7,,436.2461034919999,GLFMZGODSSXZRK,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria discolor,5793077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria discolor'],3,0,5.806473731994629 8610,6805,-1,,,,0.70161843,ISDB,GLFMZGODSSXZRK-NVSXQWMQSA-N,"InChI=1S/C24H36O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h14,17-21H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H36O7,,436.2461034919999,GLFMZGODSSXZRK,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga parviflora,5793029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga parviflora'],3,0,5.806473731994629 8611,6805,-1,,,,0.70161843,ISDB,GLFMZGODSSXZRK-HNYRCEHSSA-N,"InChI=1S/C24H36O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h14,17-21H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@@](C)([C@H]3C[C@@H]4CCO[C@@H]4O3)[C@@H]1CCC[C@@]21CO1,C24H36O7,,436.246103492,GLFMZGODSSXZRK,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Tripora divaricata,503293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Tripora'],['Tripora divaricata'],3,0,5.806473731994629 8612,6805,-1,,,,0.70161843,ISDB,GLFMZGODSSXZRK-NVSXQWMQSA-N,"InChI=1S/C24H36O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h14,17-21H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H36O7,,436.2461034919999,GLFMZGODSSXZRK,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga bracteosa,5793030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga bracteosa'],3,0,5.806473731994629 8613,6805,-1,,,,0.70161843,ISDB,GLFMZGODSSXZRK-NVSXQWMQSA-N,"InChI=1S/C24H36O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h14,17-21H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H36O7,,436.2461034919999,GLFMZGODSSXZRK,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga integrifolia,6086036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga integrifolia'],3,0,5.806473731994629 8614,6804,1134,Terpenoids,Steroids,Cardenolides,0.5985635,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.894253969192505 8615,6803,193,Terpenoids,Diterpenoids,Labdane diterpenoids,0.50723535,ISDB,KDNYVXLYMQKQHH-OCHVYMGISA-N,"InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18-,19+,20+/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C,C20H32O,,288.245315644,KDNYVXLYMQKQHH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,8.52894139289856 8616,6802,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5062389,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.52495551109314 8617,6802,6,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.5062389,ISDB,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.52495551109314 8618,6800,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50117636,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,10.504705429077148 8619,6800,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50117636,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.504705429077148 8620,6800,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50117636,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,10.504705429077148 8621,6800,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50117636,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],7,3,10.504705429077148 8622,6800,160,Terpenoids,Triterpenoids,Lupane triterpenoids,0.50117636,ISDB,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,10.504705429077148 8623,6797,295,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5422706,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.669082403182983 8624,6797,295,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5422706,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,3,9.669082403182983 8625,6796,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3234481,ISDB,LBHNBCSSFWFWIR-OSTWSGHESA-N,"InChI=1S/C21H30O5/c1-13(2)20-9-10-21(26-25-20)14(12-20)15(22)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h12-13,16H,6-11H2,1-5H3/t16-,18+,19-,20+,21-/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3,C21H30O5,,362.20932406,LBHNBCSSFWFWIR,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.793792366981506 8626,6795,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32679647,ISDB,LBHNBCSSFWFWIR-OSTWSGHESA-N,"InChI=1S/C21H30O5/c1-13(2)20-9-10-21(26-25-20)14(12-20)15(22)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h12-13,16H,6-11H2,1-5H3/t16-,18+,19-,20+,21-/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3,C21H30O5,,362.20932406,LBHNBCSSFWFWIR,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.807185888290405 8627,6792,378,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.71540916,ISDB,OFNCLOVZELBDAP-DOTOQJQBSA-N,"InChI=1S/C17H24O/c1-16(2)9-4-10-17(3)14-7-6-13(18)11-12(14)5-8-15(16)17/h6-7,11,15,18H,4-5,8-10H2,1-3H3/t15-,17+/m0/s1",CC1(C)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H24O,,244.182715388,OFNCLOVZELBDAP,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],3,3,7.361636638641357 8628,6790,-1,,,,0.71519136,ISDB,UHAXIKSDDIGBPQ-UHFFFAOYSA-N,"InChI=1S/C33H24O11/c1-40-18-7-4-15(5-8-18)33-30(32(39)29-24(42-3)11-17(34)12-25(29)44-33)28-21(37)14-26-27(31(28)38)20(36)13-22(43-26)16-6-9-19(35)23(10-16)41-2/h4-14,34-35,37-38H,1-3H3",COc1ccc(-c2oc3cc(O)cc(OC)c3c(=O)c2-c2c(O)cc3oc(-c4ccc(O)c(OC)c4)cc(=O)c3c2O)cc1,C33H24O11,,596.131861588,UHAXIKSDDIGBPQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Aristolochia ridicula,6028905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia ridicula'],3,0,5.86076545715332 8629,6787,227,Fatty acids,Diterpenoids,Fatty alcohols,0.5149348,ISDB,DSLYZXQQSWFUHY-FOCLMDBBSA-N,"InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)17-21(24)18-25-19(2)22/h15-16,21,24H,3-14,17-18H2,1-2H3/b16-15+",CCCCCCCCCCCCC/C=C/C(=O)CC(O)COC(C)=O,C21H38O4,,354.277009696,DSLYZXQQSWFUHY,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,3,7.559739112854004 8630,6786,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4401947,ISDB,LSNUUAUXWJZSFD-FSDSQADBSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6-,7-/m1/s1",COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],4,2,6.760778784751892 8631,6786,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4401947,ISDB,LSNUUAUXWJZSFD-UHFFFAOYSA-N,"InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3",COC(=O)C1=CC(O)C(O)C(O)C1,C8H12O5,,188.068473484,LSNUUAUXWJZSFD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],4,2,6.760778784751892 8632,6783,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,pos_1_minus1proton1calcium,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,1,6.5 8633,6783,18,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.0,MS1_match,JCNOHQSTTZAMOE-STUKLFKUSA-N,"InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H68O10,pos_1_minus1proton1calcium,744.4812483759999,JCNOHQSTTZAMOE,Terpenoids,Steroids,Cholestane steroids,Rosa transmorrisonensis,3905058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa transmorrisonensis'],6,1,6.5 8634,6781,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,BLKMDORKRDACEI-OVKLUEDNSA-N,"InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21)/t9-,10-,11+,12-,15+/m1/s1",COc1cc(C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H20O10,pos_1_1proton1methanol,360.1056468399999,BLKMDORKRDACEI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 8635,6781,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FUUSOIOWAGMHTM-HSQZMIOISA-N,"InChI=1S/C13H16O10/c14-3-6-9(18)10(19)11(20)13(22-6)23-12(21)4-1-2-5(15)8(17)7(4)16/h1-2,6,9-11,13-20H,3H2/t6-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1O,C13H16O10,pos_1_1proton1isopropanol,332.074346712,FUUSOIOWAGMHTM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 8636,6781,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1isopropanol,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 8637,6779,280,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1methanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 8638,6778,1511,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.77657986,ISDB,SQGLUEWZRKIEGS-UHFFFAOYSA-N,"InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)25-13-23(37)31-24(38)14-27(40-2)29(32(31)42-25)19-9-16(5-8-20(19)34)26-12-22(36)30-21(35)10-17(33)11-28(30)41-26/h3-14,33-35,38H,1-2H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4O)c3o2)cc1,C32H22O10,,566.121296904,SQGLUEWZRKIEGS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,11.606319427490234 8639,6776,-1,,,,0.29074523,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,0,4.162980914115906 8640,6775,-1,,,,0.70437336,ISDB,QATLFHOGPLMQHU-CQDKDKBSSA-N,"InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14-,15-/m0/s1",CC1(C)CCC[C@@]2(C)CC=C(C(=O)O)[C@@H]3C[C@]312,C15H22O2,,234.161979944,QATLFHOGPLMQHU,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Juniperus californica,335556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus californica'],6,0,8.817493438720703 8641,6775,-1,,,,0.70437336,ISDB,QATLFHOGPLMQHU-BYCMXARLSA-N,"InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14+,15-/m1/s1",CC1(C)CCC[C@@]2(C)CC=C(C(=O)O)[C@H]3C[C@@]312,C15H22O2,,234.161979944,QATLFHOGPLMQHU,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Juniperus squamata,992446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus squamata'],6,0,8.817493438720703 8642,6775,-1,,,,0.70437336,ISDB,QATLFHOGPLMQHU-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14-,15-/m1/s1",CC1(C)CCC[C@]2(C)CC=C(C(=O)O)[C@H]3C[C@@]312,C15H22O2,,234.161979944,QATLFHOGPLMQHU,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Juniperus thurifera,340326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus thurifera'],6,0,8.817493438720703 8643,6775,-1,,,,0.70437336,ISDB,QATLFHOGPLMQHU-CQDKDKBSSA-N,"InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14-,15-/m0/s1",CC1(C)CCC[C@@]2(C)CC=C(C(=O)O)[C@@H]3C[C@]312,C15H22O2,,234.161979944,QATLFHOGPLMQHU,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Juniperus osteosperma,335570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus osteosperma'],6,0,8.817493438720703 8644,6775,-1,,,,0.70437336,ISDB,QATLFHOGPLMQHU-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14-,15-/m1/s1",CC1(C)CCC[C@]2(C)CC=C(C(=O)O)[C@H]3C[C@@]312,C15H22O2,,234.161979944,QATLFHOGPLMQHU,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,0,8.817493438720703 8645,6775,-1,,,,0.70437336,ISDB,QATLFHOGPLMQHU-BYCMXARLSA-N,"InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14+,15-/m1/s1",CC1(C)CCC[C@@]2(C)CC=C(C(=O)O)[C@H]3C[C@@]312,C15H22O2,,234.161979944,QATLFHOGPLMQHU,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],6,0,8.817493438720703 8646,6775,-1,,,,0.70437336,ISDB,QATLFHOGPLMQHU-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)",CC1(C)CCCC2(C)CC=C(C(=O)O)C3CC312,C15H22O2,,234.161979944,QATLFHOGPLMQHU,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Juniperus occidentalis,335572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus occidentalis'],6,0,8.817493438720703 8647,6772,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.21983291,ISDB,,,,,,,JFRYBIDDLIQUCG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.879331648349762 8648,6771,1912,Polyketides,Cyclic polyketides,Furans,0.2613513,ISDB,HMBMGHWBIGFCDL-AATRIKPKSA-N,"InChI=1S/C13H15NO4/c1-3-4-5-6-8-10(15)11(16)9-12(18-8)7(2)14-13(9)17/h5-7,15H,3-4H2,1-2H3,(H,14,17)/b6-5+",CCC/C=C/c1oc2c(c(=O)c1O)C(=O)NC2C,C13H15NO4,,249.10010796,HMBMGHWBIGFCDL,Polyketides,Cyclic polyketides,Furans,Cordyceps,64408.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Cordyceps'],['Unknown'],1,3,3.545405149459839 8649,6768,-1,,,,0.0,MS1_match,DQANUGZSSLNMMY-MRZGUNRFSA-N,"InChI=1S/C19H30O5/c1-15-18(20)17(19(21)23-15)13-9-7-5-3-2-4-6-8-11-16-12-10-14-22-24-16/h10,12-13,15-16,18,20H,2-9,11,14H2,1H3/b17-13+/t15-,16+,18-/m1/s1",C[C@H]1OC(=O)/C(=C/CCCCCCCCC[C@H]2C=CCOO2)[C@@H]1O,C19H30O5,pos_1_1sodium,338.20932406,DQANUGZSSLNMMY,Polyketides,,,Litsea akoensis,5699247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea akoensis'],6,0,6.0 8650,6768,-1,,,,0.0,MS1_match,DRGFRBPYLMWXJS-NRURVFMJSA-N,"InChI=1S/C19H30O5/c1-11(2)16-15(22-13(4)20)10-12(3)8-7-9-19(6)18(24-19)17(16)23-14(5)21/h8,11,15-18H,7,9-10H2,1-6H3/b12-8+/t15-,16+,17+,18-,19+/m0/s1",CC(=O)O[C@@H]1[C@H](C(C)C)[C@@H](OC(C)=O)C/C(C)=C/CC[C@@]2(C)O[C@@H]12,C19H30O5,pos_1_1sodium,338.20932406,DRGFRBPYLMWXJS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Lindera triloba,165978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera triloba'],6,0,6.0 8651,6767,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7180135,ISDB,VTUZIFHLLUSULC-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8-10H,5,7H2,1-4H3",CC1=Cc2c(C(C)C)ccc(C)c2CC1,C15H20,,200.15650064,VTUZIFHLLUSULC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,3,10.372054100036621 8652,6766,2854,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50856316,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.534252643585205 8653,6766,2854,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50856316,ISDB,SOJWLJKPIIODOH-GUDVDZBRSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.534252643585205 8654,6765,332,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55278146,ISDB,PORHOKHIMOFMMH-FUMNGEBKSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18+,19+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O2,,302.2245802,PORHOKHIMOFMMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,9.71112585067749 8655,6764,2854,Terpenoids,Diterpenoids,Abietane diterpenoids,0.50314957,ISDB,SOJWLJKPIIODOH-OTWHNJEPSA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18+,19-/m0/s1",CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.512598276138306 8656,6763,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.66807914,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.672316551208496 8657,6762,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.30868432,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.734737277030945 8658,6760,1169,Polyketides,Lignans,Dibenzylbutyrolactone lignans,0.5660235,ISDB,CMJGAYUQSLJSCR-ULIPXBITSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,,352.09468823199995,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,10.764094114303589 8659,6759,-1,,,,0.5599522,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,8.239808797836304 8660,6759,-1,,,,0.5599522,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,8.239808797836304 8661,6759,-1,,,,0.5599522,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,8.239808797836304 8662,6759,-1,,,,0.5599522,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,8.239808797836304 8663,6758,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_1_1proton1methanol,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,8.0 8664,6755,1169,Polyketides,Lignans,Dibenzylbutyrolactone lignans,0.7900356,ISDB,HDSAIJZBOBVWLA-IPMKNSEASA-N,"InChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)17(22)18-19(23-18)20(11)24-13-8-1-4-10-5-2-9-14(25-20)15(10)13/h1-9,17-19,21-22H/t17-,18+,19+/m0/s1",Oc1cccc2c1[C@H](O)[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1,C20H14O5,,334.084123548,HDSAIJZBOBVWLA,Polyketides,Naphthalenes,Spirodioxynaphthalenes,Jatropha curcas,916001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha curcas'],3,1,6.660142421722412 8665,6755,1169,Polyketides,Lignans,Dibenzylbutyrolactone lignans,0.7900356,ISDB,HDSAIJZBOBVWLA-GUDVDZBRSA-N,"InChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)17(22)18-19(23-18)20(11)24-13-8-1-4-10-5-2-9-14(25-20)15(10)13/h1-9,17-19,21-22H/t17-,18-,19-/m1/s1",Oc1cccc2c1[C@@H](O)[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1,C20H14O5,,334.084123548,HDSAIJZBOBVWLA,Polyketides,Naphthalenes,Spirodioxynaphthalenes,Strychnos angustiflora,124248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos angustiflora'],3,1,6.660142421722412 8666,6754,1247,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.27231252,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.589250087738037 8667,6752,332,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5430146,ISDB,RWWVEQKPFPXLGL-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C20H30O2,,302.2245802,RWWVEQKPFPXLGL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nebrodensis,876310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nebrodensis'],6,3,9.672058343887329 8668,6751,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73680806,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.447232246398926 8669,6751,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73680806,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.447232246398926 8670,6751,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73680806,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.447232246398926 8671,6751,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73680806,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.447232246398926 8672,6751,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73680806,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.447232246398926 8673,6749,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73100096,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.424003839492798 8674,6749,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73100096,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.424003839492798 8675,6749,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73100096,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.424003839492798 8676,6749,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73100096,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.424003839492798 8677,6749,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.73100096,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.424003839492798 8678,6746,-1,,,,0.3023869,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.209547638893127 8679,6745,384,Terpenoids,Diterpenoids,Abietane diterpenoids,0.57262886,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.790515422821045 8680,6744,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.75070715,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.002828598022461 8681,6743,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8190462,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.776184797286987 8682,6741,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7460098,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.984039306640625 8683,6740,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.36875188,ISDB,QDFKFNAHVGPRBL-NEHWEXEASA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)25-10-12-27-26(25)11-13-29-34(5)17-15-24(18-23(34)14-16-35(27,29)6)40-33-32(39)31(38)30(37)28(19-36)41-33/h14,20-22,24-33,36-39H,7-13,15-19H2,1-6H3/t21-,22-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34+,35+/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC=C2C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21C)C(C)C,C35H60O6,,576.43898964,QDFKFNAHVGPRBL,Terpenoids,Steroids,Stigmastane steroids,Primulina hedyotidea,3885388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Primulina'],['Primulina hedyotidea'],4,1,5.9750075340271 8684,6739,576,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 8685,6739,576,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 8686,6737,249,Terpenoids,Steroids,Cardenolides,0.48674396,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.446975827217102 8687,6736,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.50537264,ISDB,IWZFBAVAFRGYNH-FZLILWDNSA-N,"InChI=1S/C37H60O8/c1-11-20(2)31(43)45-30-29(44-21(3)39)32(4,5)18-23-22-12-13-25-34(8)16-15-26(40)33(6,7)24(34)14-17-35(25,9)36(22,10)27(41)28(42)37(23,30)19-38/h12,20,23-30,38,40-42H,11,13-19H2,1-10H3/t20-,23+,24+,25-,26+,27+,28-,29+,30+,34+,35-,36+,37+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO,C37H60O8,,632.42881888,IWZFBAVAFRGYNH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Barringtonia racemosa,281679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Barringtonia'],['Barringtonia racemosa'],4,1,6.521490573883057 8688,6735,-1,,,,0.485571,ISDB,BOBVUKUEMMUUKW-UOKFWGLMSA-N,"InChI=1S/C27H36O7/c1-15-17(25(4)10-8-19(28)24(2,3)18(25)13-20(29)31-6)7-11-26(5)21(16-9-12-32-14-16)33-23(30)22-27(15,26)34-22/h9,12,14,17-19,21-22,28H,1,7-8,10-11,13H2,2-6H3/t17-,18-,19-,21+,22+,25-,26-,27+/m0/s1",C=C1[C@@H]([C@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC(=O)OC)CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]132,C27H36O7,,472.246103492,BOBVUKUEMMUUKW,Terpenoids,Triterpenoids,Limonoids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],3,0,4.942283987998962 8689,6734,249,Terpenoids,Steroids,Cardenolides,0.5131884,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.552753686904907 8690,6733,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_minus1proton1iron,446.339609952,RQJUAEBONLZLLI,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 8691,6733,-1,,,,0.0,MS1_match,RQJUAEBONLZLLI-UHFFFAOYSA-N,"InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h18-19,21-22,24,29H,3-17,20,23H2,1-2H3",CCCCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1,C28H46O4,pos_1_minus1proton1iron,446.339609952,RQJUAEBONLZLLI,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 8692,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,1,6.5 8693,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,1,6.5 8694,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FMTPULGTIHBJRT-DQPKOTBQSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20-,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.318874508,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,1,6.5 8695,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 8696,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus irenaeus,539746.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus irenaeus'],6,1,6.5 8697,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,1,6.5 8698,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FMTPULGTIHBJRT-DQPKOTBQSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20-,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.318874508,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus chingii,922368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,1,6.5 8699,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,FMTPULGTIHBJRT-BBRBLNSOSA-N,"InChI=1S/C30H44O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,16-17,20-22,31,35H,9-15H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.3188745079999,FMTPULGTIHBJRT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,1,6.5 8700,6732,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.0,MS1_match,HXCBGVHGWXQGBN-YGKWGGPRSA-N,"InChI=1S/C30H44O5/c1-17-8-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)16-19(31)23-26(4)11-10-21(32)25(2,3)20(26)9-12-28(23,27)6/h16-17,20,22-23,35H,8-15H2,1-7H3,(H,33,34)/t17-,20+,22-,23-,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H44O5,pos_2MMg,484.318874508,HXCBGVHGWXQGBN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,1,6.5 8701,6730,-1,,,,0.0,MS1_match,YDGALDXSZGMRLF-LWFMFQAFSA-N,"InChI=1S/C20H34O4/c1-17(2,23)20(24)9-6-14-13(11-20)15(22)10-16-18(3,12-21)7-5-8-19(14,16)4/h11,14-16,21-24H,5-10,12H2,1-4H3/t14-,15+,16-,18-,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H34O4,pos_1_1sodium,338.245709568,YDGALDXSZGMRLF,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 8702,6728,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6482053,ISDB,UGCQEPKCDSOOAO-ODXJTPSBSA-N,"InChI=1S/C15H24N2O2/c18-11-4-6-16-9-10-7-12(14(16)8-11)15(19)17-5-2-1-3-13(10)17/h10-14,18H,1-9H2/t10-,11-,12+,13+,14+/m0/s1",O=C1[C@@H]2C[C@@H](CN3CC[C@H](O)C[C@H]23)[C@H]2CCCCN12,C15H24N2O2,,264.183778008,UGCQEPKCDSOOAO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Pinus hartwegii,212471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus hartwegii'],5,3,9.09282112121582 8703,6725,910,Terpenoids,Steroids,Androstane steroids,0.6694787,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.17791485786438 8704,6724,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8705,6724,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8706,6724,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8707,6724,-1,,,,0.0,MS1_match,QSFLWQIGANLWJS-JGKKSEDXSA-N,"InChI=1S/C20H30O4/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)7-4-8-20(17,11-21)18(23)24/h9,12,14-15,17,21H,4-8,10-11H2,1-3H3,(H,23,24)/t14-,15-,17+,19+,20+/m0/s1",CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440944,QSFLWQIGANLWJS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 8708,6724,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8709,6724,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8710,6724,-1,,,,0.0,MS1_match,CMIAIUZBKPLIOP-YZLZLFLDSA-N,"InChI=1S/C20H30O4/c1-19(2,24-22)14-8-10-16-13(12-14)7-9-17-15(18(21)23-4)6-5-11-20(16,17)3/h7,12,15-17,22H,5-6,8-11H2,1-4H3/t15-,16+,17-,20+/m1/s1",COC(=O)[C@@H]1CCC[C@]2(C)[C@@H]1CC=C1C=C(C(C)(C)OO)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440944,CMIAIUZBKPLIOP,Terpenoids,Sesquiterpenoids,,Pinus devoniana,635129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus devoniana'],6,0,6.0 8711,6724,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8712,6724,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8713,6724,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8714,6724,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8715,6724,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8716,6724,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8717,6724,-1,,,,0.0,MS1_match,JWQFSZPHDJUDSP-JQERWDHBSA-N,"InChI=1S/C20H30O4/c1-13(2)14(12-21)6-7-15-16(22)8-9-17-19(15,3)10-5-11-20(17,4)18(23)24/h12,15,17H,5-11H2,1-4H3,(H,23,24)/t15-,17+,19+,20+/m0/s1",CC(C)=C(C=O)CC[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,JWQFSZPHDJUDSP,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8718,6721,636,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.49072993,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,6.46291971206665 8719,6719,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.34133923,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.865356922149658 8720,6718,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6155777,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,2,6.462310791015625 8721,6717,2602,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6571695,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.1286780834198 8722,6716,636,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.4020107,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,3,6.10804283618927 8723,6714,1677,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.50883967,ISDB,ILQLITDRYFHAGM-NSISKUIASA-N,"InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,ILQLITDRYFHAGM,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.535358667373657 8724,6713,2602,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6535557,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.114222764968872 8725,6712,-1,,,,0.6713104,ISDB,SWTZTWQASUSBIY-SMMRIJLZSA-N,"InChI=1S/C20H32O2/c1-13(2)20(22)10-7-15-14(12-20)16(21)11-17-18(3,4)8-6-9-19(15,17)5/h12-13,15,17,22H,6-11H2,1-5H3/t15-,17-,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,SWTZTWQASUSBIY,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.68524169921875 8726,6711,-1,,,,0.5139194,ISDB,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,9.055677652359009 8727,6710,1124,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4701638,ISDB,YUGJHEXCGCZVTH-BTYIYWSLSA-N,"InChI=1S/C21H28O4/c1-11(2)12-9-13-14(22)10-15-20(3,4)16(23)7-8-21(15,5)17(13)18(24)19(12)25-6/h9,11,15,24H,7-8,10H2,1-6H3/t15-,21-/m0/s1",COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O,C21H28O4,,344.19875937599994,YUGJHEXCGCZVTH,Terpenoids,Diterpenoids,Abietane diterpenoids,Torreya nucifera,238588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Torreya'],['Torreya nucifera'],3,3,6.3806551694869995 8728,6709,891,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.5139028,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,1,7.5556111335754395 8729,6709,891,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.5139028,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,1,7.5556111335754395 8730,6708,731,Fatty acids,Sphingolipids,Sphingoid bases,0.61955243,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],3,3,6.978209733963013 8731,6708,731,Fatty acids,Sphingolipids,Sphingoid bases,0.61955243,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,6.978209733963013 8732,6707,1785,Terpenoids,Triterpenoids,Limonoids,0.54460883,ISDB,OOZPZXOMXWTMQM-DOTAIPRESA-N,"InChI=1S/C26H32O8/c1-13-15-6-8-24(4)21(14-7-9-32-12-14)33-18(28)11-26(13,24)34-17-10-16(27)23(2,3)20(25(15,17)5)19(29)22(30)31/h7,9,12,15,17,19-21,29H,1,6,8,10-11H2,2-5H3,(H,30,31)/t15-,17-,19?,20-,21-,24-,25-,26-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](C(O)C(=O)O)[C@]12C,C26H32O8,,472.209717984,OOZPZXOMXWTMQM,Terpenoids,Triterpenoids,Limonoids,Khaya anthotheca,548506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Khaya'],['Khaya anthotheca'],3,3,6.678435325622559 8733,6706,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42455876,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.198235034942627 8734,6705,-1,,,,0.0,MS1_match,IYXKFHZDYXAAFO-PBUPUVDDSA-N,"InChI=1S/C20H34O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h13,15-16,23H,6-12H2,1-5H3,(H,21,22)/b14-13+/t15-,16+,19-,20+/m0/s1",C/C(=C\C(=O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H34O3,pos_1_1sodium,322.250794948,IYXKFHZDYXAAFO,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8735,6705,-1,,,,0.0,MS1_match,NSRKLZRKJJQJLD-YESPVIGUSA-N,"InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16+,17-,19-,20+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@@H](C)CCO,C20H34O3,pos_1_1sodium,322.250794948,NSRKLZRKJJQJLD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 8736,6705,-1,,,,0.0,MS1_match,UFSBKIDLLGCBLW-QQBOBMDFSA-N,"InChI=1S/C20H34O3/c1-6-15(10-13-23-5)17-14(2)8-9-16-19(17,3)11-7-12-20(16,4)18(21)22/h15-17H,2,6-13H2,1,3-5H3,(H,21,22)/t15-,16+,17+,19-,20+/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1[C@H](CC)CCOC,C20H34O3,pos_1_1sodium,322.250794948,UFSBKIDLLGCBLW,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 8737,6703,1785,Terpenoids,Triterpenoids,Limonoids,0.5862897,ISDB,ZFIURKZEANVFML-UHFFFAOYSA-N,"InChI=1S/C26H32O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-17,19-20,27H,5,7,9-10,12H2,1-4H3",CC1(C)OC2CC(=O)OCC23C1CC(O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,C26H32O8,,472.209717984,ZFIURKZEANVFML,Terpenoids,Triterpenoids,Limonoids,Citrus medica var. sarcodactylis,321680.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus medica'],3,3,6.845158815383911 8738,6703,1785,Terpenoids,Triterpenoids,Limonoids,0.5862897,ISDB,ZFIURKZEANVFML-UHFFFAOYSA-N,"InChI=1S/C26H32O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-17,19-20,27H,5,7,9-10,12H2,1-4H3",CC1(C)OC2CC(=O)OCC23C1CC(O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,C26H32O8,,472.209717984,ZFIURKZEANVFML,Terpenoids,Triterpenoids,Limonoids,Citrus medica,798604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus medica'],3,3,6.845158815383911 8739,6703,1785,Terpenoids,Triterpenoids,Limonoids,0.5862897,ISDB,ZFIURKZEANVFML-UHFFFAOYSA-N,"InChI=1S/C26H32O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-17,19-20,27H,5,7,9-10,12H2,1-4H3",CC1(C)OC2CC(=O)OCC23C1CC(O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,C26H32O8,,472.209717984,ZFIURKZEANVFML,Terpenoids,Triterpenoids,Limonoids,Citrus paradisi,3942423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus aurantium'],3,3,6.845158815383911 8740,6700,1677,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.44155413,ISDB,ILQLITDRYFHAGM-NSISKUIASA-N,"InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,ILQLITDRYFHAGM,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.266216516494751 8741,6699,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41699928,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.167997121810913 8742,6698,214,Terpenoids,Diterpenoids,Cassane diterpenoids,0.6235564,ISDB,OLPVLGPCVTYBMB-AZUAARDMSA-N,"InChI=1S/C20H24O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h6-8,11-12,18H,5,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1C=C2,C20H24O,,280.182715388,OLPVLGPCVTYBMB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Bowdichia nitida,326067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Leptolobieae'],['Bowdichia'],['Bowdichia nitida'],3,2,6.49422550201416 8743,6696,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6100725,ISDB,RFOCIKIRPCYOTG-QYYSKZFYSA-N,"InChI=1S/C24H32O6/c1-11(2)24-12(25)10-22(5,28)17(24)13-14(19(24)26)23-9-7-8-21(3,4)18(23)16(15(13)29-6)30-20(23)27/h11,15-18,28H,7-10H2,1-6H3/t15-,16+,17-,18-,22-,23-,24+/m0/s1",CO[C@H]1C2=C(C(=O)[C@]3(C(C)C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C24H32O6,,416.219888744,RFOCIKIRPCYOTG,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia apiana,466625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia apiana'],3,3,6.9402899742126465 8744,6693,910,Terpenoids,Steroids,Androstane steroids,0.68387634,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.2355053424835205 8745,6691,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.38177618,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,9.52710473537445 8746,6690,1470,Terpenoids,Diterpenoids,Abietane diterpenoids,0.55021304,ISDB,ODFCWXVQZAQDSO-CMKODMSKSA-N,"InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C20H30O2,,302.2245802,ODFCWXVQZAQDSO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.200852155685425 8747,6688,98,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.5403789,ISDB,HFOYBPKZZDOLDW-NEUQYWNHSA-N,"InChI=1S/C24H36O7/c1-5-6-11-30-20-22-14-8-7-13-12(2)17(26)23(14,18(13)27)24(29,31-20)19(28)16(22)21(3,4)10-9-15(22)25/h13-16,18-20,25,27-29H,2,5-11H2,1,3-4H3/t13-,14-,15-,16+,18+,19-,20-,22-,23-,24-/m0/s1",C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12[C@@H](OCCCC)O[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O,C24H36O7,,436.246103492,HFOYBPKZZDOLDW,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon rosthornii,1017559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rosthornii'],3,3,6.661515712738037 8748,6687,1842,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.63316876,ISDB,AIFCFBUSLAEIBR-UHFFFAOYSA-N,"InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3",COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1,C32H22O10,,566.1212969039999,AIFCFBUSLAEIBR,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,11.03267502784729 8749,6686,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.82076573,ISDB,RIGYMJVFEJNCKD-UHFFFAOYSA-N,"InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3",COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC,C20H20O8,,388.1158175999999,RIGYMJVFEJNCKD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.783062934875488 8750,6685,1033,Terpenoids,Diterpenoids,Abietane diterpenoids,0.8147529,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,10.259011507034302 8751,6682,-1,,,,0.0,MS1_match,ORJVLIMAQARNOU-SYQXSARVSA-N,"InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8+,11-7+/t14-,15+,16+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(C)=O)[C@H]12,C17H22O4,pos_1_1proton1ethylamine,290.151809184,ORJVLIMAQARNOU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 8752,6682,-1,,,,0.0,MS1_match,FLQRNFRKTCFXQT-ZZCLTNFFSA-N,"InChI=1S/C17H22O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,15-16H,2,4,6-8,10H2,1,3H3/b11-5+,14-9-/t15-,16+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C)CC[C@@H]12,C17H22O4,pos_1_1proton1ethylamine,290.151809184,FLQRNFRKTCFXQT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,0,7.0 8753,6682,-1,,,,0.0,MS1_match,FLQRNFRKTCFXQT-ZZCLTNFFSA-N,"InChI=1S/C17H22O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,15-16H,2,4,6-8,10H2,1,3H3/b11-5+,14-9-/t15-,16+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C)CC[C@@H]12,C17H22O4,pos_1_1proton1ethylamine,290.151809184,FLQRNFRKTCFXQT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 8754,6682,-1,,,,0.0,MS1_match,NLDDIKRKFXEWBK-AWEZNQCLSA-N,"InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1",CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1,C17H26O4,pos_1_1proton1acetonitrile,294.183109312,NLDDIKRKFXEWBK,,,,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 8755,6682,-1,,,,0.0,MS1_match,FJFOYRHXOZSRFV-RIYZIHGNSA-N,"InChI=1S/C19H26O4/c1-13(2)6-5-7-14(3)8-9-15-10-17(20)11-16(19(15)22)12-18(21)23-4/h6,8,10-11,20,22H,5,7,9,12H2,1-4H3/b14-8+",COC(=O)Cc1cc(O)cc(C/C=C(\C)CCC=C(C)C)c1O,C19H26O4,pos_1_1proton1ammonium,318.183109312,FJFOYRHXOZSRFV,Polyketides,Meroterpenoids,,Magnolia denudata,881612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia denudata'],7,0,7.0 8756,6680,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8757,6680,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8758,6680,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8759,6680,-1,,,,0.0,MS1_match,QSFLWQIGANLWJS-JGKKSEDXSA-N,"InChI=1S/C20H30O4/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)7-4-8-20(17,11-21)18(23)24/h9,12,14-15,17,21H,4-8,10-11H2,1-3H3,(H,23,24)/t14-,15-,17+,19+,20+/m0/s1",CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440944,QSFLWQIGANLWJS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 8760,6680,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8761,6680,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8762,6680,-1,,,,0.0,MS1_match,CMIAIUZBKPLIOP-YZLZLFLDSA-N,"InChI=1S/C20H30O4/c1-19(2,24-22)14-8-10-16-13(12-14)7-9-17-15(18(21)23-4)6-5-11-20(16,17)3/h7,12,15-17,22H,5-6,8-11H2,1-4H3/t15-,16+,17-,20+/m1/s1",COC(=O)[C@@H]1CCC[C@]2(C)[C@@H]1CC=C1C=C(C(C)(C)OO)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440944,CMIAIUZBKPLIOP,Terpenoids,Sesquiterpenoids,,Pinus devoniana,635129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus devoniana'],6,0,6.0 8763,6680,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8764,6680,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8765,6680,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8766,6680,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8767,6680,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 8768,6680,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 8769,6680,-1,,,,0.0,MS1_match,JWQFSZPHDJUDSP-JQERWDHBSA-N,"InChI=1S/C20H30O4/c1-13(2)14(12-21)6-7-15-16(22)8-9-17-19(15,3)10-5-11-20(17,4)18(23)24/h12,15,17H,5-11H2,1-4H3,(H,23,24)/t15-,17+,19+,20+/m0/s1",CC(C)=C(C=O)CC[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,JWQFSZPHDJUDSP,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 8770,6679,-1,,,,0.83584553,ISDB,XUGOJFTWXOCTSX-UHFFFAOYSA-N,"InChI=1S/C22H26O5/c1-10-6-7-14-15(12(3)9-24-14)17-16(10)22-18(25-13(4)23)11(2)8-21(22,27-22)19-20(17,5)26-19/h9,11,16-19H,1,6-8H2,2-5H3",C=C1CCc2occ(C)c2C2C1C13OC1(CC(C)C3OC(C)=O)C1OC21C,C22H26O5,,370.178023932,XUGOJFTWXOCTSX,Terpenoids,Diterpenoids,Jatropholane diterpenoids,Croton haumanianus,3913817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton haumanianus'],3,0,6.343382120132446 8771,6678,-1,,,,0.24503024,ISDB,FITFAFMCWGCVDQ-LJQANCHMSA-N,"InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m1/s1",O[C@H](CCCCc1ccccc1)CCc1ccccc1,C19H24O,,268.182715388,FITFAFMCWGCVDQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,0,6.980120956897736 8772,6676,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.806124,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.224495887756348 8773,6676,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.806124,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.224495887756348 8774,6675,-1,,,,0.38580245,ISDB,WTKBZJAWPZXKJU-NLEAXPPASA-N,"InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCC1=CCOC1=O,C21H30O4,,346.21440943999994,WTKBZJAWPZXKJU,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,0,6.543209791183472 8775,6675,-1,,,,0.38580245,ISDB,WTKBZJAWPZXKJU-NLEAXPPASA-N,"InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCC1=CCOC1=O,C21H30O4,,346.21440943999994,WTKBZJAWPZXKJU,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],5,0,6.543209791183472 8776,6674,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3135177,ISDB,UFEHYRPBLFGEJW-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)",CC(C)C1(O)C=C2C(=O)CC3C(C)(C(=O)O)CCCC3(C)C2CC1,C20H30O4,,334.21440944,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.75407075881958 8777,6674,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3135177,ISDB,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,3,7.75407075881958 8778,6674,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3135177,ISDB,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.75407075881958 8779,6673,-1,,,,0.24178901,ISDB,PTQFIYQNKVSVGM-GUDVDZBRSA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,6.9671560525894165 8780,6672,501,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51940686,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.577627420425415 8781,6672,501,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51940686,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.577627420425415 8782,6671,-1,,,,0.0,MS1_match,ORJVLIMAQARNOU-SYQXSARVSA-N,"InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8+,11-7+/t14-,15+,16+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(C)=O)[C@H]12,C17H22O4,pos_2MNa,290.151809184,ORJVLIMAQARNOU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 8783,6670,-1,,,,0.0,MS1_match,ORJVLIMAQARNOU-SYQXSARVSA-N,"InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8+,11-7+/t14-,15+,16+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(C)=O)[C@H]12,C17H22O4,pos_1_1potassium,290.151809184,ORJVLIMAQARNOU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 8784,6668,-1,,,,0.6502706,ISDB,KIZXBPVAPQXAMH-UHFFFAOYSA-N,"InChI=1S/C14H18O/c1-9(2)11-6-7-14(15)12-5-4-10(3)8-13(11)12/h4-5,8-9,11H,6-7H2,1-3H3",Cc1ccc2c(c1)C(C(C)C)CCC2=O,C14H18O,,202.135765196,KIZXBPVAPQXAMH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],4,0,6.6010823249816895 8785,6667,-1,,,,0.71720207,ISDB,MLXSCOQFYJPFNW-UHFFFAOYSA-N,"InChI=1S/C8H12N5O/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3/h4H,1-3H3,(H2,9,10,11,14)",CN=c1nc(O)c2c([nH]1)N(C)[CH]N2C,C8H12N5O,,194.104185004,MLXSCOQFYJPFNW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Heterostemma brownii,300835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Ceropegieae'],['Heterostemma'],['Heterostemma brownii'],4,0,6.868808269500732 8786,6666,-1,,,,0.8179838,ISDB,KAFSSZHADPCOBG-UHFFFAOYSA-N,"InChI=1S/C12H12O2/c1-7-4-5-10-8(2)9(3)12(13)14-11(10)6-7/h4-6H,1-3H3",Cc1ccc2c(C)c(C)c(=O)oc2c1,C12H12O2,,188.083729624,KAFSSZHADPCOBG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,0,7.271935224533081 8787,6664,1772,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.6661202,ISDB,WLZPYTDCBHITRF-UHFFFAOYSA-N,"InChI=1S/C11H10O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3",COc1cccc2c(O)cccc12,C11H10O2,,174.06807956,WLZPYTDCBHITRF,Polyketides,Naphthalenes,Naphthalenes and derivatives,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],4,3,8.164480686187744 8788,6663,-1,,,,0.0,MS1_match,XFIJHAZBIDZQAB-UHFFFAOYSA-N,"InChI=1S/C12H10O/c1-9-4-2-3-5-12-10(8-13)6-7-11(9)12/h2-8H,1H3",Cc1ccccc2c(C=O)ccc1-2,C12H10O,pos_1_1proton,170.07316494,XFIJHAZBIDZQAB,,,,Neolitsea aciculata,615331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea aciculata'],6,0,6.0 8789,6661,-1,,,,0.0,MS1_match,RTFVWCRRSNVOBR-LZGGXURUSA-N,"InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6+/t15-,16+,17-/m1/s1",CC(=O)OC[C@@](C)(O)[C@H]1/C=C/[C@@](C)(O)CC/C=C(\C)CC1,C17H28O4,pos_2_1calcium,296.198759376,RTFVWCRRSNVOBR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 8790,6659,-1,,,,0.6756802,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.702720880508423 8791,6656,316,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,XJJALIPWUKIDEJ-BEAOVJJGSA-N,"InChI=1S/C23H40O5/c1-6-7-8-9-10-11-14-18(3)21(25)16-17(2)13-12-15-20(23(27)28-5)22(26)19(4)24/h15-18,22,25-26H,6-14H2,1-5H3/b20-15+,21-16-",CCCCCCCCC(C)/C(O)=C/C(C)CC/C=C(/C(=O)OC)C(O)C(C)=O,C23H40O5,pos_3_3sodium,396.28757438,XJJALIPWUKIDEJ,,,,Lindera communis,356825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera communis'],6,0,6.0 8792,6654,-1,,,,0.34017497,ISDB,NAIMNAZWFGBUDM-YFKPBYRVSA-N,"InChI=1S/C6H12N2O2/c1-10-5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1",CO[C@H]1CCCN1C(N)=O,C6H12N2O2,,144.089877624,NAIMNAZWFGBUDM,Alkaloids,,,Hexalobus crispiflorus,6284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Hexalobus'],['Hexalobus crispiflorus'],4,0,5.360699892044067 8793,6654,-1,,,,0.34017497,ISDB,NAIMNAZWFGBUDM-YFKPBYRVSA-N,"InChI=1S/C6H12N2O2/c1-10-5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1",CO[C@H]1CCCN1C(N)=O,C6H12N2O2,,144.089877624,NAIMNAZWFGBUDM,Alkaloids,,,Piptostigma fugax,3867334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Piptostigma'],['Piptostigma fugax'],4,0,5.360699892044067 8794,6654,-1,,,,0.34017497,ISDB,NAIMNAZWFGBUDM-UHFFFAOYSA-N,"InChI=1S/C6H12N2O2/c1-10-5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)",COC1CCCN1C(N)=O,C6H12N2O2,,144.089877624,NAIMNAZWFGBUDM,Alkaloids,,,Friesodielsia velutina,3867716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Friesodielsia'],['Friesodielsia velutina'],4,0,5.360699892044067 8795,6649,577,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,GMKFHCZCFMYEIV-UUSRFGLQSA-N,"InChI=1S/C15H22O4/c1-8-4-5-11-9(2)14(17)18-12(11)13-15(3,19-13)7-10(16)6-8/h6,9-13,16H,4-5,7H2,1-3H3/b8-6+/t9-,10+,11-,12-,13+,15+/m0/s1",C/C1=C\[C@@H](O)C[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,GMKFHCZCFMYEIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 8796,6648,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6011289,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,3,10.904515504837036 8797,6648,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6011289,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,10.904515504837036 8798,6648,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6011289,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,10.904515504837036 8799,6648,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6011289,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.904515504837036 8800,6647,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.73833954,ISDB,CTILMUMVHPOCNU-JTQLQIEISA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,2,7.953358173370361 8801,6647,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.73833954,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena glaberrima,7603033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena glaberrima'],4,2,7.953358173370361 8802,6647,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.73833954,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,2,7.953358173370361 8803,6647,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.73833954,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eutrochium fistulosum,681437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eutrochium'],['Eutrochium fistulosum'],4,2,7.953358173370361 8804,6647,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.73833954,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis ulicina,7600236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis ulicina'],4,2,7.953358173370361 8805,6647,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.73833954,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena,692383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Unknown'],4,2,7.953358173370361 8806,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],4,3,8.529138326644897 8807,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],4,3,8.529138326644897 8808,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,3,8.529138326644897 8809,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.529138326644897 8810,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.529138326644897 8811,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],4,3,8.529138326644897 8812,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],4,3,8.529138326644897 8813,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.529138326644897 8814,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.529138326644897 8815,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],4,3,8.529138326644897 8816,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],4,3,8.529138326644897 8817,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,3,8.529138326644897 8818,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],4,3,8.529138326644897 8819,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],4,3,8.529138326644897 8820,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],4,3,8.529138326644897 8821,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],4,3,8.529138326644897 8822,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,3,8.529138326644897 8823,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],4,3,8.529138326644897 8824,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],4,3,8.529138326644897 8825,6646,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7572846,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],4,3,8.529138326644897 8826,6642,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4417411,ISDB,UFEHYRPBLFGEJW-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)",CC(C)C1(O)C=C2C(=O)CC3C(C)(C(=O)O)CCCC3(C)C2CC1,C20H30O4,,334.21440944,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.266964435577393 8827,6641,1645,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.602877,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.911508083343506 8828,6637,577,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.28964624,ISDB,,,,,,,AOALSOLHBFZMHD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1585849523544312 8829,6636,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6025284,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.91011357307434 8830,6636,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6025284,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,10.91011357307434 8831,6635,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7459624,ISDB,CTILMUMVHPOCNU-JTQLQIEISA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,2,7.98384952545166 8832,6635,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7459624,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena glaberrima,7603033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena glaberrima'],4,2,7.98384952545166 8833,6635,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7459624,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,2,7.98384952545166 8834,6635,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7459624,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis ulicina,7600236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis ulicina'],4,2,7.98384952545166 8835,6635,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7459624,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena,692383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Unknown'],4,2,7.98384952545166 8836,6635,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7459624,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eutrochium fistulosum,681437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eutrochium'],['Eutrochium fistulosum'],4,2,7.98384952545166 8837,6634,169,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,QMVPMAAFGQKVCJ-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",CC(C)=CCCC(C)CCO,C10H20O,pos_1_1potassium,156.15141526,QMVPMAAFGQKVCJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 8838,6634,169,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,QMVPMAAFGQKVCJ-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",CC(C)=CCCC(C)CCO,C10H20O,pos_1_1potassium,156.15141526,QMVPMAAFGQKVCJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Cryptocarya agathophylla,6025872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya agathophylla'],6,3,7.5 8839,6634,169,Shikimates and Phenylpropanoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,QMVPMAAFGQKVCJ-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",CC(C)=CCCC(C)CCO,C10H20O,pos_1_1potassium,156.15141526,QMVPMAAFGQKVCJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,3,7.5 8840,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],4,3,8.521704196929932 8841,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],4,3,8.521704196929932 8842,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,3,8.521704196929932 8843,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.521704196929932 8844,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.521704196929932 8845,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],4,3,8.521704196929932 8846,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],4,3,8.521704196929932 8847,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.521704196929932 8848,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.521704196929932 8849,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],4,3,8.521704196929932 8850,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],4,3,8.521704196929932 8851,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,3,8.521704196929932 8852,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],4,3,8.521704196929932 8853,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],4,3,8.521704196929932 8854,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],4,3,8.521704196929932 8855,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],4,3,8.521704196929932 8856,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,3,8.521704196929932 8857,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],4,3,8.521704196929932 8858,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],4,3,8.521704196929932 8859,6633,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75542605,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],4,3,8.521704196929932 8860,6632,1772,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.6766118,ISDB,WLZPYTDCBHITRF-UHFFFAOYSA-N,"InChI=1S/C11H10O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3",COc1cccc2c(O)cccc12,C11H10O2,,174.06807956,WLZPYTDCBHITRF,Polyketides,Naphthalenes,Naphthalenes and derivatives,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],4,3,8.206447124481201 8861,6626,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5145462,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.558184862136841 8862,6626,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5145462,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.558184862136841 8863,6626,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5145462,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.558184862136841 8864,6626,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5145462,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.558184862136841 8865,6626,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5145462,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.558184862136841 8866,6625,-1,,,,0.72785753,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.91143012046814 8867,6624,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6574474,ISDB,DFYHVSRWEQLWAJ-HTOAHKCRSA-N,"InChI=1S/C15H24N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h10-14,18H,1-9H2/t10-,11+,12+,13-,14+/m1/s1",O=C1[C@H]2C[C@H](CN3CCCC[C@H]23)[C@@H]2CCC[C@H](O)N12,C15H24N2O2,,264.183778008,DFYHVSRWEQLWAJ,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Pinus hartwegii,212471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus hartwegii'],5,3,9.129789590835571 8868,6623,-1,,,,0.76126146,ISDB,BRSFRAPHIHWJKB-ARWYLSQWSA-N,"InChI=1S/C21H26O5/c1-13-3-7-19-12-20(19,17(22)24-2)8-5-15-16(19)21(13,18(23)26-15)9-4-14-6-10-25-11-14/h5-6,8,10-11,13,15-16,18,23H,3-4,7,9,12H2,1-2H3/t13-,15+,16+,18-,19+,20+,21-/m0/s1",COC(=O)[C@]12C=C[C@H]3O[C@H](O)[C@@]4(CCc5ccoc5)[C@@H](C)CC[C@@]1(C2)[C@@H]34,C21H26O5,,358.178023932,BRSFRAPHIHWJKB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Dodonaea viscosa,343388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Dodonaeaeae'],['Dodonaea'],['Dodonaea viscosa'],3,0,6.045045852661133 8869,6622,731,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,AYDJDNNMKHXZOQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C(=O)O)C1CC2,C20H28O3,pos_1_1proton,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 8870,6622,731,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,ILQLITDRYFHAGM-NSISKUIASA-N,"InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,pos_1_1proton,316.203844756,ILQLITDRYFHAGM,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.0 8871,6622,731,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,DNAMQWAMMWRLBC-YSIASYRMSA-N,"InChI=1S/C20H28O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,17,21,23H,5,8-9,11-12H2,1-4H3/t17-,19-,20+/m0/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O3,pos_1_1proton,316.203844756,DNAMQWAMMWRLBC,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.0 8872,6620,1478,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.30857664,ISDB,DKDSGYSHJKYLBQ-BHPKHCPMSA-N,"InChI=1S/C15H26O2/c1-10-8-11-12(9-13(10)16)15(4,17)7-5-6-14(11,2)3/h8,11-13,16-17H,5-7,9H2,1-4H3/t11-,12-,13-,15+/m1/s1",CC1=C[C@@H]2[C@@H](C[C@H]1O)[C@@](C)(O)CCCC2(C)C,C15H26O2,,238.193280072,DKDSGYSHJKYLBQ,Terpenoids,Sesquiterpenoids,Himachalane sesquiterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,2,7.234306573867798 8873,6619,-1,,,,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 8874,6619,-1,,,,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 8875,6617,-1,,,,0.7133107,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],3,0,5.853242874145508 8876,6617,-1,,,,0.7133107,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],3,0,5.853242874145508 8877,6616,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.37320817,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.992832660675049 8878,6615,1455,Terpenoids,Diterpenoids,Cassane diterpenoids,0.41522622,ISDB,PNIWOPXSKRPGQY-HIGZBPRKSA-N,"InChI=1S/C24H30O6/c1-13-16-8-10-28-19(16)12-18-17(13)11-21(30-15(3)26)24(27)22(4,5)9-7-20(23(18,24)6)29-14(2)25/h8,10,12,20-21,27H,7,9,11H2,1-6H3/t20-,21-,23-,24+/m0/s1",CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)Cc3c(cc4occc4c3C)[C@@]12C,C24H30O6,,414.20423868,PNIWOPXSKRPGQY,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],3,3,6.160904884338379 8879,6613,1025,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36151674,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.946066975593567 8880,6613,1025,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36151674,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.946066975593567 8881,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,1,6.5 8882,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8883,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea torano,1091066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea torano'],6,1,6.5 8884,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 8885,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8886,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 8887,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 8888,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8889,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8890,6612,365,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 8891,6609,1134,Terpenoids,Steroids,Cardenolides,0.5878467,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.851386785507202 8892,6604,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.49518362,ISDB,QXNWVJOHUAQHLM-AZUAARDMSA-N,"InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H30O,,286.22966558,QXNWVJOHUAQHLM,Terpenoids,Diterpenoids,Abietane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.480734467506409 8893,6602,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5130255,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,9.552102088928223 8894,6600,576,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 8895,6600,576,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 8896,6598,-1,,,,0.5163665,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,5.065465927124023 8897,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.561280488967896 8898,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.561280488967896 8899,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.561280488967896 8900,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.561280488967896 8901,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.561280488967896 8902,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.561280488967896 8903,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.561280488967896 8904,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.561280488967896 8905,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.561280488967896 8906,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.561280488967896 8907,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.561280488967896 8908,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.561280488967896 8909,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.561280488967896 8910,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.561280488967896 8911,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.561280488967896 8912,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.561280488967896 8913,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.561280488967896 8914,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.561280488967896 8915,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.561280488967896 8916,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.561280488967896 8917,6595,1565,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5153201,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.561280488967896 8918,6594,-1,,,,0.57399374,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,9.295974969863892 8919,6593,-1,,,,0.3086691,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.234676361083984 8920,6592,1232,Terpenoids,Diterpenoids,Cardenolides,0.4192952,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.177180767059326 8921,6590,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.68609834,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7443933486938477 8922,6589,1085,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.6682342,ISDB,XEWGBGIXCMXJPI-KEGXSBDUSA-N,"InChI=1S/C20H32O2/c1-5-18(2)10-7-15-14(12-18)11-16(22)17-19(3,13-21)8-6-9-20(15,17)4/h5,16-17,21-22H,1,6-13H2,2-4H3/t16-,17?,18-,19-,20+/m0/s1",C=C[C@@]1(C)CCC2=C(C[C@H](O)C3[C@](C)(CO)CCC[C@]23C)C1,C20H32O2,,304.240230264,XEWGBGIXCMXJPI,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Tetraclinis articulata,194278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Tetraclinis'],['Tetraclinis articulata'],5,3,9.172936916351318 8923,6588,-1,,,,0.5134589,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.05383563041687 8924,6588,-1,,,,0.5134589,ISDB,BDOVQRGWITVTSL-RDGPPVDQSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3/t16-,17+,18-,19-/m0/s1",C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@]23C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Halocarpus biformis,309857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Halocarpus'],['Halocarpus biformis'],3,0,5.05383563041687 8925,6587,1875,Terpenoids,Diterpenoids,Androstane steroids,0.71205705,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.348228216171265 8926,6586,-1,,,,0.7442971,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9771883487701416 8927,6585,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.40249696,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,6.109987854957581 8928,6584,996,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.70075876,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],6,3,10.303035020828247 8929,6583,881,Terpenoids,Sesquiterpenoids,Cinnamoyl phenols,0.8282651,ISDB,UYXJESJBZRIFPL-UHFFFAOYSA-N,"InChI=1S/C15H14O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-8H,1-3H3",Cc1ccc2c(C)cc3occ(C)c3c2c1,C15H14O,,210.104465068,UYXJESJBZRIFPL,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,2,8.313060283660889 8930,6582,1806,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4693914,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],4,3,7.377565622329712 8931,6582,1806,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4693914,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],4,3,7.377565622329712 8932,6581,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.50018954,ISDB,UNXLEMAVNRUZHN-UHFFFAOYSA-N,"InChI=1S/C11H18S/c1-4-5-6-10-7-8-11(12-10)9(2)3/h7-9H,4-6H2,1-3H3",CCCCc1ccc(C(C)C)s1,C11H18S,,182.112921576,UNXLEMAVNRUZHN,,,,Basella alba,63162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Basellaceae'],['Unknown'],['Basella'],['Basella alba'],4,0,6.000758171081543 8933,6578,1241,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.61405903,ISDB,KTOGURYEQRFUME-UHFFFAOYSA-N,"InChI=1S/C24H32O7/c1-11-18-14(30-21(11)27)9-16-23(6)8-7-17(29-13(3)26)22(4,5)19(23)15(28-12(2)25)10-24(16)20(18)31-24/h14-17,19-20H,7-10H2,1-6H3",CC(=O)OC1CC23OC2C2=C(C)C(=O)OC2CC3C2(C)CCC(OC(C)=O)C(C)(C)C12,C24H32O7,,432.214803364,KTOGURYEQRFUME,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Suregada multiflora,914247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada multiflora'],3,3,6.956236124038696 8934,6578,1241,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.61405903,ISDB,KTOGURYEQRFUME-TYGCTQQCSA-N,"InChI=1S/C24H32O7/c1-11-18-14(30-21(11)27)9-16-23(6)8-7-17(29-13(3)26)22(4,5)19(23)15(28-12(2)25)10-24(16)20(18)31-24/h14-17,19-20H,7-10H2,1-6H3/t14-,15-,16+,17+,19-,20-,23+,24+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]([C@H](OC(C)=O)C[C@@]34O[C@@H]3C3=C(C)C(=O)O[C@@H]3C[C@@H]24)C1(C)C,C24H32O7,,432.214803364,KTOGURYEQRFUME,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Suregada aequorea,455249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada aequorea'],3,3,6.956236124038696 8935,6577,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.68257374,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,3,7.230294942855835 8936,6574,1651,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,OFYKVICBSSMJBP-CLBVLKOUSA-N,"InChI=1S/C17H20O4/c1-9-12-5-7-17(4)8-6-13(20-11(3)18)10(2)14(17)15(12)21-16(9)19/h6,8,12-15H,1-2,5,7H2,3-4H3/t12-,13+,14+,15-,17-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@]2(C)C=C[C@H]1OC(C)=O,C17H20O4,pos_1_1sodium,288.13615912,OFYKVICBSSMJBP,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,8.5 8937,6573,2996,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,WUDUHFPSNBSHMA-NLRWUALESA-N,"InChI=1S/C15H20O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h3,10-13,16-17H,1,4-7H2,2H3/t10-,11+,12+,13-,15-/m1/s1",C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CC=C(CO)[C@@H]21,C15H20O4,pos_1_1proton1acetonitrile,264.13615912,WUDUHFPSNBSHMA,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,8.5 8938,6573,2996,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,OFYKVICBSSMJBP-CLBVLKOUSA-N,"InChI=1S/C17H20O4/c1-9-12-5-7-17(4)8-6-13(20-11(3)18)10(2)14(17)15(12)21-16(9)19/h6,8,12-15H,1-2,5,7H2,3-4H3/t12-,13+,14+,15-,17-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@]2(C)C=C[C@H]1OC(C)=O,C17H20O4,pos_1_1proton1ammonium,288.13615912,OFYKVICBSSMJBP,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,8.5 8939,6572,1806,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5891058,ISDB,MFGGGJCBWVBPEO-UHFFFAOYSA-N,"InChI=1S/C13H12O2/c1-15-13-8-11(7-12(14)9-13)10-5-3-2-4-6-10/h2-9,14H,1H3",COc1cc(O)cc(-c2ccccc2)c1,C13H12O2,,200.083729624,MFGGGJCBWVBPEO,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Lindera fruticosa,356806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera fruticosa'],6,0,8.356423139572144 8940,6572,1806,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5891058,ISDB,MFGGGJCBWVBPEO-UHFFFAOYSA-N,"InChI=1S/C13H12O2/c1-15-13-8-11(7-12(14)9-13)10-5-3-2-4-6-10/h2-9,14H,1H3",COc1cc(O)cc(-c2ccccc2)c1,C13H12O2,,200.083729624,MFGGGJCBWVBPEO,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Lindera neesiana,356806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera fruticosa'],6,0,8.356423139572144 8941,6569,1241,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6112057,ISDB,KTOGURYEQRFUME-UHFFFAOYSA-N,"InChI=1S/C24H32O7/c1-11-18-14(30-21(11)27)9-16-23(6)8-7-17(29-13(3)26)22(4,5)19(23)15(28-12(2)25)10-24(16)20(18)31-24/h14-17,19-20H,7-10H2,1-6H3",CC(=O)OC1CC23OC2C2=C(C)C(=O)OC2CC3C2(C)CCC(OC(C)=O)C(C)(C)C12,C24H32O7,,432.214803364,KTOGURYEQRFUME,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Suregada multiflora,914247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada multiflora'],3,3,6.944822788238525 8942,6569,1241,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6112057,ISDB,KTOGURYEQRFUME-TYGCTQQCSA-N,"InChI=1S/C24H32O7/c1-11-18-14(30-21(11)27)9-16-23(6)8-7-17(29-13(3)26)22(4,5)19(23)15(28-12(2)25)10-24(16)20(18)31-24/h14-17,19-20H,7-10H2,1-6H3/t14-,15-,16+,17+,19-,20-,23+,24+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]([C@H](OC(C)=O)C[C@@]34O[C@@H]3C3=C(C)C(=O)O[C@@H]3C[C@@H]24)C1(C)C,C24H32O7,,432.214803364,KTOGURYEQRFUME,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Suregada aequorea,455249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada aequorea'],3,3,6.944822788238525 8943,6568,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.69386154,ISDB,URPBIQPJABGDJD-SESVDKBCSA-N,"InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]12,C21H28O3,,328.203844756,URPBIQPJABGDJD,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Mikania triangularis,7051529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania triangularis'],3,2,6.775446176528931 8944,6567,1714,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KQFUXLQBMQGNRT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1,C18H16O7,pos_2MNa,344.0896028519999,KQFUXLQBMQGNRT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,3,8.5 8945,6567,1714,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_2MNa,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 8946,6567,1714,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_2MNa,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 8947,6566,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1potassium,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 8948,6566,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1potassium,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 8949,6566,-1,,,,0.0,MS1_match,KQFUXLQBMQGNRT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1,C18H16O7,pos_1_1sodium,344.0896028519999,KQFUXLQBMQGNRT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 8950,6566,-1,,,,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1sodium,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 8951,6566,-1,,,,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1sodium,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 8952,6564,-1,,,,0.8255176,ISDB,WQUAABPUMMPCJB-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-6-9(17)11(18)15-10(8)12(19)13(20)14(21-15)7-4-2-1-3-5-7/h1-6,16-18,20H",O=c1c(O)c(-c2ccccc2)oc2c(O)c(O)cc(O)c12,C15H10O6,,286.04773804,WQUAABPUMMPCJB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],4,0,7.302070379257202 8953,6563,801,Terpenoids,Triterpenoids,Limonoids,0.45058304,ISDB,,,,,,,PPANCHFCINNDOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8023321628570557 8954,6560,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 8955,6560,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 8956,6560,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KQFUXLQBMQGNRT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1,C18H16O7,pos_1_1proton,344.0896028519999,KQFUXLQBMQGNRT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,3,8.5 8957,6559,-1,,,,0.28558,ISDB,NYEXXEJYGVAGEE-BHIYHBOVSA-N,"InChI=1S/C19H28O2/c1-17(2,20)14-7-8-15-13(12-14)6-9-16-18(15,3)10-5-11-19(16,4)21/h7-8,12,16,20-21H,5-6,9-11H2,1-4H3/t16-,18-,19-/m1/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O2,,288.208930136,NYEXXEJYGVAGEE,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.142320036888123 8958,6558,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5373365,ISDB,ODFCWXVQZAQDSO-CMKODMSKSA-N,"InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C20H30O2,,302.2245802,ODFCWXVQZAQDSO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.149346113204956 8959,6556,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5451792,ISDB,RFOCIKIRPCYOTG-QYYSKZFYSA-N,"InChI=1S/C24H32O6/c1-11(2)24-12(25)10-22(5,28)17(24)13-14(19(24)26)23-9-7-8-21(3,4)18(23)16(15(13)29-6)30-20(23)27/h11,15-18,28H,7-10H2,1-6H3/t15-,16+,17-,18-,22-,23-,24+/m0/s1",CO[C@H]1C2=C(C(=O)[C@]3(C(C)C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C24H32O6,,416.219888744,RFOCIKIRPCYOTG,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia apiana,466625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia apiana'],3,3,6.6807167530059814 8960,6555,-1,,,,0.21989949,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.879597961902618 8961,6551,1234,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7086929,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,3,7.334771633148193 8962,6551,1234,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,0.7086929,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,3,7.334771633148193 8963,6550,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.2422428,ISDB,QINXJSIKYUBGSE-WCGIQSCQSA-N,"InChI=1S/C19H28O4/c1-10-11-5-6-13-18(4)12(7-8-19(13,9-11)14(10)20)17(2,3)15(21)23-16(18)22/h11-14,16,20,22H,1,5-9H2,2-4H3/t11-,12?,13?,14+,16-,18-,19-/m1/s1",C=C1[C@@H]2CCC3[C@@](CCC4C(C)(C)C(=O)O[C@@H](O)[C@]43C)(C2)[C@H]1O,C19H28O4,,320.198759376,QINXJSIKYUBGSE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],3,3,5.4689711928367615 8964,6549,-1,,,,0.57132006,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.285280227661133 8965,6549,-1,,,,0.57132006,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,0,7.285280227661133 8966,6548,-1,,,,0.53229904,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,8.129196166992188 8967,6548,-1,,,,0.53229904,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,8.129196166992188 8968,6548,-1,,,,0.53229904,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,8.129196166992188 8969,6548,-1,,,,0.53229904,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,8.129196166992188 8970,6547,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60419893,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.91679573059082 8971,6546,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7759988,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix lyallii,693237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix lyallii'],5,3,9.603995084762573 8972,6546,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7759988,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix occidentalis,994602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix occidentalis'],5,3,9.603995084762573 8973,6546,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7759988,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix laricina,804263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix laricina'],5,3,9.603995084762573 8974,6545,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.7889336,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.155734300613403 8975,6545,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.7889336,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],3,2,7.155734300613403 8976,6544,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.803035,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.712140083312988 8977,6543,1195,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.84124655,ISDB,MWKLDMFBNRCDPE-KZZRWZIVSA-N,"InChI=1S/C12H18/c1-11-4-2-3-5-12(11)9-6-8(11)7-10(9)12/h8-10H,2-7H2,1H3/t8-,9+,10-,11-,12+/m0/s1",C[C@@]12CCCC[C@]13[C@@H]1C[C@H]2C[C@@H]13,C12H18,,162.140850576,MWKLDMFBNRCDPE,Terpenoids,Sesquiterpenoids,,Santalum album,1028931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Santalum'],['Santalum album'],3,2,7.364986181259155 8978,6542,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.82901657,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],3,3,7.816066265106201 8979,6538,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.5117018,ISDB,SDAAHVDCUXAADL-UHFFFAOYSA-N,"InChI=1S/C34H58O6/c1-6-21(19(2)3)8-7-20(4)24-11-12-26-25(24)13-14-28-27(26)10-9-22-17-23(15-16-34(22,28)5)39-33-32(38)31(37)30(36)29(18-35)40-33/h9,19-21,23-33,35-38H,6-8,10-18H2,1-5H3",CCC(CCC(C)C1CCC2C1CCC1C2CC=C2CC(OC3OC(CO)C(O)C(O)C3O)CCC21C)C(C)C,C34H58O6,,562.423339576,SDAAHVDCUXAADL,Terpenoids,Steroids,Stigmastane steroids,Polygonatum kingianum,676684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Polygonatum'],['Polygonatum kingianum'],4,1,6.546807289123535 8980,6537,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.52037233,ISDB,PDEYVCIISSAEBG-DVSQZFJSSA-N,"InChI=1S/C33H48N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,21-22,26-29H,13-16,18-20H2,1-7H3,(H,34,36)/t22-,26+,27+,28+,29-,32+,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C)N(C)C,C33H48N2O,,488.376664156,PDEYVCIISSAEBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.581489324569702 8981,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lamprolobium fruticosum,1055316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Lamprolobium'],['Lamprolobium fruticosum'],3,2,5.975830435752869 8982,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,2,5.975830435752869 8983,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora tonkinensis,434824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tonkinensis'],3,2,5.975830435752869 8984,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum andicolum,3923542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum andicola'],3,2,5.975830435752869 8985,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum rigidum,393217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum rigidum'],3,2,5.975830435752869 8986,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum elegans,676863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum elegans'],3,2,5.975830435752869 8987,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum andicola,3923542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum andicola'],3,2,5.975830435752869 8988,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum cumingii,464349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum cumingii'],3,2,5.975830435752869 8989,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-UHFFFAOYSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2",O=C1CCCC(=O)N1CC1CCCN2CCCCC12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora tomentosa,280932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tomentosa'],3,2,5.975830435752869 8990,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-UHFFFAOYSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2",O=C1CCCC(=O)N1CC1CCCN2CCCCC12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora velutina,57103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora velutina'],3,2,5.975830435752869 8991,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,2,5.975830435752869 8992,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lupinus holosericeus,1015263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus argenteus'],3,2,5.975830435752869 8993,6535,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.4939576,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum desideratum,338719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum desideratum'],3,2,5.975830435752869 8994,6533,2341,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5246045,ISDB,KLZNBERWPKTMAP-MYOQPVCSSA-N,"InChI=1S/C20H30O3/c1-5-18(2)9-8-15-13(10-18)6-7-16-19(15,3)11-14(21)12-20(16,4)17(22)23/h5,10,14-16,21H,1,6-9,11-12H2,2-4H3,(H,22,23)/t14-,15-,16+,18+,19+,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@@H]3[C@](C)(C[C@H](O)C[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O3,,318.21949482,KLZNBERWPKTMAP,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,2,9.09841799736023 8995,6531,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.5631575,ISDB,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.75262999534607 8996,6530,801,Terpenoids,Triterpenoids,Limonoids,0.71076196,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],3,3,7.343047857284546 8997,6530,801,Terpenoids,Triterpenoids,Limonoids,0.71076196,ISDB,PKPHRMXBBLNQQE-VSFHLZNESA-N,"InChI=1S/C26H34O7/c1-22(2)15-11-17-25(5)20(23(15,3)8-6-18(28)33-22)19(29)21(30)24(4)14(13-7-9-31-12-13)10-16(27)26(24,25)32-17/h6-9,12,14-17,19-21,27,29-30H,10-11H2,1-5H3/t14-,15-,16+,17+,19+,20+,21-,23-,24+,25+,26-/m0/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@@H](O)[C@]45O[C@H](C[C@@H]12)[C@]35C,C26H34O7,,458.2304534279999,PKPHRMXBBLNQQE,Terpenoids,Triterpenoids,Limonoids,Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],3,3,7.343047857284546 8998,6529,564,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.43102625,ISDB,MRTXWRPVFGYIEY-DEPWHIHDSA-N,"InChI=1S/C21H30O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,16-17,22,24H,6,9-10,12H2,1-5H3/t16-,17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3[C@H](O)C[C@@H]12,C21H30O4,,346.21440944,MRTXWRPVFGYIEY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,3,8.22410500049591 8999,6527,561,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.3003797,ISDB,IESHQCNZSICVDD-FCMAGTKHSA-N,"InChI=1S/C23H30N2O3/c26-22-8-4-7-20-17-12-18(15-25(20)22)21-13-19(9-10-24(21)14-17)28-23(27)11-16-5-2-1-3-6-16/h1-3,5-6,17-21H,4,7-15H2/t17-,18-,19-,20+,21-/m0/s1",O=C(Cc1ccccc1)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1,C23H30N2O3,,382.22564282,IESHQCNZSICVDD,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,5.701518774032593 9000,6526,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.68786013,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7514405250549316 9001,6525,-1,,,,0.6394115,ISDB,RWNMGACJGXHHHN-UHFFFAOYSA-N,"InChI=1S/C15H20O/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3",Cc1ccc2c(c1)C1CCC2(C)OC1(C)C,C15H20O,,216.15141526,RWNMGACJGXHHHN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],3,0,5.557646036148071 9002,6523,-1,,,,0.7882084,ISDB,INUWBHWKAMVTNU-UHFFFAOYSA-N,"InChI=1S/C13H14/c1-3-12-10(2)8-9-11-6-4-5-7-13(11)12/h4-9H,3H2,1-2H3",CCc1c(C)ccc2ccccc12,C13H14,,170.109550448,INUWBHWKAMVTNU,Shikimates and Phenylpropanoids,,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,0,6.152833700180054 9003,6520,-1,,,,0.0,MS1_match,UHOHMRLFYQIKRL-UUAJXVIYSA-N,"InChI=1S/C17H28O4/c1-7-16(5)9-8-13(15(20)14(16)11(2)3)17(6,10-18)21-12(4)19/h7,13-15,18,20H,1-2,8-10H2,3-6H3/t13-,14-,15+,16-,17+/m1/s1",C=C[C@]1(C)CC[C@@H]([C@](C)(CO)OC(C)=O)[C@H](O)[C@H]1C(=C)C,C17H28O4,pos_1_1sodium,296.198759376,UHOHMRLFYQIKRL,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia kachirachirai,843602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kachirachirai'],7,0,7.0 9004,6520,-1,,,,0.0,MS1_match,RTFVWCRRSNVOBR-LZGGXURUSA-N,"InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6+/t15-,16+,17-/m1/s1",CC(=O)OC[C@@](C)(O)[C@H]1/C=C/[C@@](C)(O)CC/C=C(\C)CC1,C17H28O4,pos_1_1sodium,296.198759376,RTFVWCRRSNVOBR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 9005,6519,778,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UOUGFQVCCBWYHB-YQJHWPCZSA-N,"InChI=1S/C29H46N2O3/c1-16(2)19-15-31(27(19)34)23-11-13-28(4)20-10-12-29(5)22(18(20)8-9-21(28)26(23)33)14-24(32)25(29)17(3)30(6)7/h11,16-22,24-25,32H,8-10,12-15H2,1-7H3/t17-,18+,19-,20-,21+,22-,24+,25-,28+,29-/m0/s1",CC(C)[C@@H]1CN(C2=CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@H]43)C2=O)C1=O,C29H46N2O3,pos_2MCa,470.3508433319999,UOUGFQVCCBWYHB,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,0,6.0 9006,6516,2548,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,0.3483791,ISDB,HYHJAMQARBFCBV-ZFXZZAOISA-N,"InChI=1S/C26H32O7/c1-14-16-13-22(5)15(2)26(20(30)32-8,19(29)24(7,31)18(22)28)23(16,6)11-12-25(14)10-9-17(27)33-21(25,3)4/h9-10,31H,2,11-13H2,1,3-8H3/t22-,23-,24-,25-,26-/m1/s1",C=C1[C@@]2(C)CC3=C(C)[C@@]4(C=CC(=O)OC4(C)C)CC[C@@]3(C)[C@@]1(C(=O)OC)C(=O)[C@](C)(O)C2=O,C26H32O7,,456.214803364,HYHJAMQARBFCBV,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],3,3,5.893516421318054 9007,6514,3302,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6447461,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.078984498977661 9008,6512,-1,,,,0.6093392,ISDB,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,9.43735671043396 9009,6511,-1,,,,0.34566078,ISDB,SENGMOFNXGYJSV-YBROWDRVSA-N,"InChI=1S/C24H34O6/c1-16-5-4-6-20-23(2,11-9-17-10-12-29-14-17)18(19(25)13-24(16,20)3)15-30-22(28)8-7-21(26)27/h5,10,12,14,18-20,25H,4,6-9,11,13,15H2,1-3H3,(H,26,27)/t18-,19+,20-,23+,24+/m1/s1",CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](COC(=O)CCC(=O)O)[C@@H](O)C[C@@]12C,C24H34O6,,418.235538808,SENGMOFNXGYJSV,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],3,0,4.382643103599548 9010,6510,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.43323293,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,1,5.232931733131409 9011,6509,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7590642,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.536256790161133 9012,6509,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7590642,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.536256790161133 9013,6509,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7590642,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.536256790161133 9014,6509,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7590642,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.536256790161133 9015,6509,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7590642,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.536256790161133 9016,6508,1532,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5249417,ISDB,ZUFDWKUXJOZMLK-KYDIXZHGSA-N,"InChI=1S/C24H34O7/c1-14-5-8-18-23(2,3)22(29)17(31-20(27)10-9-19(25)26)12-24(18,4)16(14)7-6-15-11-21(28)30-13-15/h5,11,16-18,22,29H,6-10,12-13H2,1-4H3,(H,25,26)/t16-,17+,18+,22+,24+/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CCC1=CC(=O)OC1,C24H34O7,,434.230453428,ZUFDWKUXJOZMLK,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],3,3,6.599766731262207 9017,6507,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.38582915,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,1,5.043316602706909 9018,6506,-1,,,,0.22524337,ISDB,NHKCTTNTSKMUHM-GCBBTIINSA-N,"InChI=1S/C20H31NO3/c1-17-14-18(17)12-10-8-6-4-2-3-5-7-9-11-13-20(24)21-19(15-22)16-23/h2-5,10-13,17-19,22-23H,6-9,14-16H2,1H3,(H,21,24)/b4-2-,5-3-,12-10+,13-11-",CC1CC1/C=C/CC/C=C\C=C/CC/C=C\C(=O)NC(CO)CO,C20H31NO3,,333.230393852,NHKCTTNTSKMUHM,,,,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],3,0,3.9009734988212585 9019,6505,3302,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6422101,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.068840503692627 9020,6504,1532,Terpenoids,Diterpenoids,Labdane diterpenoids,0.507601,ISDB,ZUFDWKUXJOZMLK-KYDIXZHGSA-N,"InChI=1S/C24H34O7/c1-14-5-8-18-23(2,3)22(29)17(31-20(27)10-9-19(25)26)12-24(18,4)16(14)7-6-15-11-21(28)30-13-15/h5,11,16-18,22,29H,6-10,12-13H2,1-4H3,(H,25,26)/t16-,17+,18+,22+,24+/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CCC1=CC(=O)OC1,C24H34O7,,434.230453428,ZUFDWKUXJOZMLK,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],3,3,6.530404090881348 9021,6501,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54831505,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.693260192871094 9022,6501,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54831505,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus formosana,135014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus formosana'],3,3,6.693260192871094 9023,6501,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54831505,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,6.693260192871094 9024,6501,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54831505,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.693260192871094 9025,6501,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.54831505,ISDB,UOTMTFHWVAHDHO-OAQYLSRUSA-N,"InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C,C21H28O2,,312.208930136,UOTMTFHWVAHDHO,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,6.693260192871094 9026,6500,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.46769837,ISDB,SGSLKSWEAHEFTA-UHFFFAOYSA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)",CC12C=CC3(C1)C(O)CC1C(C)(COC(=O)CCC(=O)O)CCCC1(C)C3CC2,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Helipterum floribundum,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.370793461799622 9027,6500,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.46769837,ISDB,SGSLKSWEAHEFTA-PKWIELLASA-N,"InChI=1S/C24H36O5/c1-21-10-7-16-23(3)9-4-8-22(2,15-29-20(28)6-5-19(26)27)17(23)13-18(25)24(16,14-21)12-11-21/h11-12,16-18,25H,4-10,13-15H2,1-3H3,(H,26,27)/t16-,17-,18+,21-,22-,23+,24-/m1/s1",C[C@@]12C=C[C@@]3(C1)[C@H](CC2)[C@]1(C)CCC[C@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@@H]3O,C24H36O5,,404.256274252,SGSLKSWEAHEFTA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Rhodanthe floribunda,7051429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe floribunda'],3,3,6.370793461799622 9028,6499,-1,,,,0.7668871,ISDB,KACNHTHLIACRKY-GTKADIPGSA-N,"InChI=1S/C27H38O8/c1-16-11-22(35-19(4)29)27(15-33-24(31)17(2)18(3)28)21(7-6-9-26(27)14-34-26)25(16,5)10-8-20-12-23(30)32-13-20/h12,16,18,21-22,28H,2,6-11,13-15H2,1,3-5H3/t16-,18?,21-,22+,25+,26+,27+/m1/s1",C=C(C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1)C(C)O,C27H38O8,,490.256668176,KACNHTHLIACRKY,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga decumbens,837564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga decumbens'],3,0,6.067548513412476 9029,6498,1268,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.5532329,ISDB,IGIRRJKMVYDPHK-KMOCTKRQSA-N,"InChI=1S/C26H36O8/c1-12-16-8-9-17-25(7)18(10-21(34-15(4)29)26(17,22(12)30)23(16)31)24(5,6)19(32-13(2)27)11-20(25)33-14(3)28/h16-21,23,31H,1,8-11H2,2-7H3/t16-,17+,18-,19-,20-,21+,23+,25-,26+/m0/s1",C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O,C26H36O8,,476.241018112,IGIRRJKMVYDPHK,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon shikokianus,597285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon shikokianus'],3,3,6.7129316329956055 9030,6497,2742,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6030358,ISDB,QBAITYMIZWFOLG-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,24-5)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)23/h8-9,13,17H,6-7,10-12H2,1-5H3,(H,22,23)/t17-,20-,21-/m1/s1",COC(C)(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C21H30O3,,330.21949482,QBAITYMIZWFOLG,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.912143230438232 9031,6496,-1,,,,0.40167314,ISDB,QMSWKASVXHXIKB-JUNANHINSA-N,"InChI=1S/C20H28O5/c1-18(2,25)13-8-11-9-15(22)16-19(3,12(11)10-14(13)21)6-5-7-20(16,4)17(23)24/h8-9,12,15-16,22,25H,5-7,10H2,1-4H3,(H,23,24)/t12-,15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=C[C@H](O)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O5,,348.1936739959999,QMSWKASVXHXIKB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.606692552566528 9032,6495,1025,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3633079,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.953231573104858 9033,6494,543,Terpenoids,Monoterpenoids,"Carotenoids (C40, β-ε)",0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 9034,6491,-1,,,,0.0,MS1_match,VGJMSQCITPKNFM-ZJPYXAASSA-N,"InChI=1S/C19H30O6/c1-7-18(6)9-8-15(17(22)16(18)12(2)3)19(23,10-24-13(4)20)11-25-14(5)21/h7,15-17,22-23H,1-2,8-11H2,3-6H3/t15-,16-,17+,18-/m1/s1",C=C[C@]1(C)CC[C@@H](C(O)(COC(C)=O)COC(C)=O)[C@H](O)[C@H]1C(=C)C,C19H30O6,pos_1_1proton1ethylamine,354.20423868,VGJMSQCITPKNFM,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9035,6490,-1,,,,0.0,MS1_match,VGJMSQCITPKNFM-ZJPYXAASSA-N,"InChI=1S/C19H30O6/c1-7-18(6)9-8-15(17(22)16(18)12(2)3)19(23,10-24-13(4)20)11-25-14(5)21/h7,15-17,22-23H,1-2,8-11H2,3-6H3/t15-,16-,17+,18-/m1/s1",C=C[C@]1(C)CC[C@@H](C(O)(COC(C)=O)COC(C)=O)[C@H](O)[C@H]1C(=C)C,C19H30O6,pos_1_1sodium,354.20423868,VGJMSQCITPKNFM,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9036,6489,3143,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.30827737,ISDB,RNXGMPDMYPADJI-UUZSYRILSA-N,"InChI=1S/C19H28O5/c1-12(2)6-5-7-13(3)8-17-19(11-18(22)24-17)10-14(20)15(23-4)9-16(19)21/h6,8,14-15,17,20H,5,7,9-11H2,1-4H3/b13-8+/t14-,15-,17+,19-/m0/s1",CO[C@H]1CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C[C@@H]1O,C19H28O5,,336.19367399600003,RNXGMPDMYPADJI,Terpenoids,,,Miliusa sinensis,3867482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Miliuseae'],['Miliusa'],['Miliusa sinensis'],5,1,6.733109474182129 9037,6488,-1,,,,0.77497786,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,10.099911451339722 9038,6485,-1,,,,0.48716283,ISDB,QVBAAAQRWVWJDA-UHFFFAOYSA-N,"InChI=1S/C22H32O6/c1-12-17(24)21-10-19(12,25)8-5-14(21)20-11-27-22(21,26)9-15(20)18(3,4)7-6-16(20)28-13(2)23/h14-17,24-26H,1,5-11H2,2-4H3",C=C1C(O)C23CC1(O)CCC2C12COC3(O)CC1C(C)(C)CCC2OC(C)=O,C22H32O6,,392.219888744,QVBAAAQRWVWJDA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon enanderianus,858804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon enanderianus'],3,0,4.948651313781738 9039,6484,1175,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5067454,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.526981592178345 9040,6482,1651,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.36017066,ISDB,GGEHGIPZDUKHHM-UHFFFAOYSA-N,"InChI=1S/C17H26O5/c1-9-12-11(22-15(9)19)8-16(3)6-5-7-17(4,20)14(16)13(12)21-10(2)18/h9,11-14,20H,5-8H2,1-4H3",CC(=O)OC1C2C(CC3(C)CCCC(C)(O)C13)OC(=O)C2C,C17H26O5,,310.178023932,GGEHGIPZDUKHHM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Gonospermum ferulaceum,748953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum ferulaceum'],3,3,5.940682649612427 9041,6480,-1,,,,0.7224829,ISDB,ZDWOZEMRGOSWOF-ZTTFOMCMSA-N,"InChI=1S/C20H26O3/c1-10(2)12-8-11-6-7-15-19(3,4)17(22)16-18(23-16)20(15,5)13(11)9-14(12)21/h8-10,15-16,18,21H,6-7H2,1-5H3/t15-,16-,18-,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)[C@H]3O[C@H]3C(=O)C(C)(C)[C@@H]1CC2,C20H26O3,,314.188194692,ZDWOZEMRGOSWOF,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,0,7.889931678771973 9042,6479,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32884264,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.815370559692383 9043,6477,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9044,6477,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9045,6477,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9046,6477,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 9047,6475,1148,Shikimates and Phenylpropanoids,Diterpenoids,Cinnamoyl phenols,0.48752132,ISDB,IQMDFQYVBMPOOW-WOJBJXKFSA-N,"InChI=1S/C20H22O4/c1-18(2,23)11-6-7-13-12(10-11)14(21)15-16-19(13,3)8-5-9-20(16,4)17(22)24-15/h6-7,10,23H,5,8-9H2,1-4H3/t19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1,C20H22O4,,326.151809184,IQMDFQYVBMPOOW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],5,2,7.950085282325745 9048,6474,920,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.5927067,ISDB,SJCCUQCEQOTXML-ZUEPEPMWSA-N,"InChI=1S/C26H34O8/c1-15-11-20(32-17(3)28)22(29)25(14-31-16(2)27)21(33-23(30)18-9-7-6-8-10-18)12-19-13-26(15,25)34-24(19,4)5/h6-10,15,19-22,29H,11-14H2,1-5H3/t15-,19-,20+,21+,22+,25-,26+/m0/s1",CC(=O)OC[C@]12[C@H](O)[C@H](OC(C)=O)C[C@H](C)[C@]13C[C@H](C[C@H]2OC(=O)c1ccccc1)C(C)(C)O3,C26H34O8,,474.225368048,SJCCUQCEQOTXML,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],3,3,6.870826721191406 9049,6473,2585,Polyketides,Diterpenoids,Tetracyclic diterpenoids,0.36408126,ISDB,HANHFLHKGWUFQU-CSCLOYBCSA-N,"InChI=1S/C27H36O7/c1-13(2)8-21(30)33-24-15(4)26(32)19-9-14(3)22(31)18(19)10-17(12-28)11-20(26)23-25(6,7)27(23,24)34-16(5)29/h8-9,11,15,18-20,23-24,28,32H,10,12H2,1-7H3/t15-,18-,19-,20+,23-,24-,26+,27-/m1/s1",CC(=O)O[C@@]12[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@H]3[C@@H]1C2(C)C,C27H36O7,,472.246103492,HANHFLHKGWUFQU,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Croton ciliatoglandulifer,426185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton ciliatoglandulifer'],3,3,5.956325054168701 9050,6472,2585,Polyketides,Diterpenoids,Tetracyclic diterpenoids,0.3610155,ISDB,DRMIYYPESWIXHQ-PSNFPAJSSA-N,"InChI=1S/C26H32O8/c1-13-14-10-17(27)34-21(2,3)15(14)8-9-22(4)16(13)11-23(5)18(28)24(6,31)19(29)26(22,20(30)32-7)25(23)12-33-25/h8,16,31H,9-12H2,1-7H3/t16-,22-,23-,24-,25+,26+/m0/s1",COC(=O)[C@]12C(=O)[C@@](C)(O)C(=O)[C@](C)(C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@@]31C)[C@]21CO1,C26H32O8,,472.20971798399984,DRMIYYPESWIXHQ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Penicillium purpurogenum,5310739.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium purpurogenum'],1,1,2.9440619945526123 9051,6472,2585,Polyketides,Diterpenoids,Tetracyclic diterpenoids,0.3610155,ISDB,DRMIYYPESWIXHQ-SQZYMCEESA-N,"InChI=1S/C26H32O8/c1-13-14-10-17(27)34-21(2,3)15(14)8-9-22(4)16(13)11-23(5)18(28)24(6,31)19(29)26(22,20(30)32-7)25(23)12-33-25/h8,16,31H,9-12H2,1-7H3/t16-,22-,23+,24-,25+,26-/m0/s1",COC(=O)[C@@]12C(=O)[C@@](C)(O)C(=O)[C@@](C)(C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@@]31C)[C@]21CO1,C26H32O8,,472.209717984,DRMIYYPESWIXHQ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Talaromyces minioluteus,647528.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Talaromyces'],['Talaromyces minioluteus'],1,1,2.9440619945526123 9052,6471,-1,,,,0.0,MS1_match,PXIKRTCSSLJURC-UHFFFAOYSA-N,"InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3",CCCc1ccc(O)c(OC)c1,C10H14O2,pos_2MNa,166.099379688,PXIKRTCSSLJURC,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 9053,6471,-1,,,,0.0,MS1_match,ALGYTGOYQATWBA-UHFFFAOYSA-N,"InChI=1S/C20H28O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,15-16,21,24H,5,8-9,11H2,1-4H3,(H,22,23)",CC(C)(O)c1ccc2c(c1)C(O)CC1C(C)(C(=O)O)CCCC21C,C20H28O4,pos_1_1sodium,332.198759376,ALGYTGOYQATWBA,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 9054,6471,-1,,,,0.0,MS1_match,ALGYTGOYQATWBA-UHFFFAOYSA-N,"InChI=1S/C20H28O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,15-16,21,24H,5,8-9,11H2,1-4H3,(H,22,23)",CC(C)(O)c1ccc2c(c1)C(O)CC1C(C)(C(=O)O)CCCC21C,C20H28O4,pos_1_1sodium,332.198759376,ALGYTGOYQATWBA,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 9055,6471,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_1_1sodium,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 9056,6471,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_1_1sodium,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 9057,6470,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.32655036,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.806201457977295 9058,6467,-1,,,,0.614129,ISDB,QWIXXDJUHXOKPB-HOQSQFABSA-N,"InChI=1S/C20H32O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h10,12,14-17,21H,5-9,11H2,1-4H3,(H,22,23)/t14-,15-,16+,17+,19+,20-/m0/s1",CC(C)C1=C[C@@H]2[C@H](O)C[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)O)[C@H]2CC1,C20H32O3,,320.235144884,QWIXXDJUHXOKPB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,0,7.4565160274505615 9059,6465,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,BZORLJPADUHVJE-QWBBESJSSA-N,"InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C39H54O7,pos_1_minus1proton1calcium,634.386954068,BZORLJPADUHVJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,7.5 9060,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,0,6.0 9061,6464,-1,,,,0.0,MS1_match,IFIQVSCCFRXSJV-OUKLVGNVSA-N,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27+,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,IFIQVSCCFRXSJV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 9062,6464,-1,,,,0.0,MS1_match,IFIQVSCCFRXSJV-SBAYXHKCSA-N,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,IFIQVSCCFRXSJV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9063,6464,-1,,,,0.0,MS1_match,IFIQVSCCFRXSJV-SBAYXHKCSA-N,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,IFIQVSCCFRXSJV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9064,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 9065,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-UHFFFAOYSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O,C30H48O6,pos_1_minus1proton1iron,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9066,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-CFEZKMSKSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22+,23+,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9067,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 9068,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-VVEUJWIUSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 9069,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba officinalis,964939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba officinalis'],6,0,6.0 9070,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-UHFFFAOYSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O,C30H48O6,pos_1_minus1proton1iron,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9071,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-CFEZKMSKSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22+,23+,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9072,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-FYLGDIBQSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 9073,6464,-1,,,,0.0,MS1_match,VULLSLYDWNGNKZ-VVEUJWIUSA-N,"InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.345089256,VULLSLYDWNGNKZ,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],6,0,6.0 9074,6464,-1,,,,0.0,MS1_match,CTDCUSBLTVYJJM-MRJNRIDWSA-N,"InChI=1S/C30H48O6/c1-16-8-11-30(24(34)35)13-12-27(5)17(21(30)29(16,7)36)14-18(31)22-26(4)15-19(32)23(33)25(2,3)20(26)9-10-28(22,27)6/h14,16,18-23,31-33,36H,8-13,15H2,1-7H3,(H,34,35)/t16-,18-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,CTDCUSBLTVYJJM,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 9075,6464,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_minus1proton1iron,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serratifolia,653082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia serratifolia'],6,0,6.0 9076,6464,-1,,,,0.0,MS1_match,CDPOJDDWXIJFPO-JZQNBJMNSA-N,"InChI=1S/C30H48O6/c1-25(16-31)10-12-30(24(35)36)13-11-28(4)18(19(30)14-25)6-7-22-26(2)15-20(33)23(34)27(3,17-32)21(26)8-9-29(22,28)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1",C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C30H48O6,pos_1_minus1proton1iron,504.345089256,CDPOJDDWXIJFPO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Photinia serrulata,7056912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Photinia'],['Photinia bodinieri'],6,0,6.0 9077,6464,-1,,,,0.0,MS1_match,OTMKLLGULDKXFS-DSZNRGTLSA-N,"InChI=1S/C30H48O6/c1-16-10-11-30(24(34)35)13-12-27(5)17(22(30)29(16,7)36)8-9-19-26(4)15-18(31)23(33)25(2,3)20(26)14-21(32)28(19,27)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18-,19-,20?,21+,22+,23-,26-,27-,28+,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)[C@@H](O)CC3C(C)(C)[C@H](O)[C@H](O)C[C@@]34C)[C@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,OTMKLLGULDKXFS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa roxburghii,383285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa roxburghii'],6,0,6.0 9078,6464,-1,,,,0.0,MS1_match,DHHQJIJHAFUHHD-UWKAYAFWSA-N,"InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1",CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C25H44O12,pos_1_1sodium,536.283276848,DHHQJIJHAFUHHD,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 9079,6464,-1,,,,0.0,MS1_match,DHHQJIJHAFUHHD-BXLIXUOISA-N,"InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15-,16+,17-,18+,19+,20-,21-,22+,23-,24+/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1,C25H44O12,pos_1_1sodium,536.283276848,DHHQJIJHAFUHHD,Terpenoids,Apocarotenoids,Megastigmanes,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 9080,6464,-1,,,,0.0,MS1_match,DHHQJIJHAFUHHD-UWKAYAFWSA-N,"InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1",CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1,C25H44O12,pos_1_1sodium,536.283276848,DHHQJIJHAFUHHD,Terpenoids,Apocarotenoids,Megastigmanes,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,0,6.0 9081,6464,-1,,,,0.0,MS1_match,DHHQJIJHAFUHHD-BXLIXUOISA-N,"InChI=1S/C25H44O12/c1-11-7-13(35-24-22(33)20(31)18(29)16(10-27)37-24)8-25(3,4)14(11)6-5-12(2)34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15-,16+,17-,18+,19+,20-,21-,22+,23-,24+/m1/s1",CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1,C25H44O12,pos_1_1sodium,536.283276848,DHHQJIJHAFUHHD,Terpenoids,Apocarotenoids,Megastigmanes,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 9082,6464,-1,,,,0.0,MS1_match,IFIQVSCCFRXSJV-GOVAGAJPSA-N,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23+,26+,27-,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,IFIQVSCCFRXSJV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,0,6.0 9083,6464,-1,,,,0.0,MS1_match,IFIQVSCCFRXSJV-SBAYXHKCSA-N,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,IFIQVSCCFRXSJV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9084,6464,-1,,,,0.0,MS1_match,IFIQVSCCFRXSJV-SBAYXHKCSA-N,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,IFIQVSCCFRXSJV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9085,6464,-1,,,,0.0,MS1_match,IFIQVSCCFRXSJV-OUKLVGNVSA-N,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27+,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,IFIQVSCCFRXSJV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 9086,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,0,6.0 9087,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,0,6.0 9088,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,0,6.0 9089,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-MGBZEVKYSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 9090,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-MGBZEVKYSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,0,6.0 9091,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 9092,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9093,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9094,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,0,6.0 9095,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus imperialis,3906994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus imperialis'],6,0,6.0 9096,6464,-1,,,,0.0,MS1_match,JPFKTKCDYZBLOK-UWKAYAFWSA-N,"InChI=1S/C25H44O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C1,C25H44O12,pos_1_1sodium,536.283276848,JPFKTKCDYZBLOK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 9097,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,0,6.0 9098,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis incana,141740.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis incana'],6,0,6.0 9099,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pungens,149341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pungens'],6,0,6.0 9100,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-MGBZEVKYSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 9101,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-MGBZEVKYSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,0,6.0 9102,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,0,6.0 9103,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9104,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 9105,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,0,6.0 9106,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus imperialis,3906994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus imperialis'],6,0,6.0 9107,6464,-1,,,,0.0,MS1_match,IFIQVSCCFRXSJV-GOVAGAJPSA-N,"InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23+,26+,27-,28-,29-,30+/m1/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O,C30H48O6,pos_1_minus1proton1iron,504.3450892559999,IFIQVSCCFRXSJV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,0,6.0 9108,6464,-1,,,,0.0,MS1_match,YCOKATFNRPZIIU-NIZSJLHKSA-N,"InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O6,pos_1_minus1proton1iron,504.3450892559998,YCOKATFNRPZIIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Polylepis besseri,664135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Polylepis'],['Polylepis besseri'],6,0,6.0 9109,6464,-1,,,,0.0,MS1_match,JPFKTKCDYZBLOK-UWKAYAFWSA-N,"InChI=1S/C25H44O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h12-13,15-24,26-33H,5-10H2,1-4H3/t12-,13+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1",CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C1,C25H44O12,pos_1_1sodium,536.283276848,JPFKTKCDYZBLOK,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 9110,6463,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.30129105,ISDB,,,,,,,QAKIWUJBGBNYFP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2051641941070557 9111,6462,920,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,0.58294976,ISDB,SJCCUQCEQOTXML-ZUEPEPMWSA-N,"InChI=1S/C26H34O8/c1-15-11-20(32-17(3)28)22(29)25(14-31-16(2)27)21(33-23(30)18-9-7-6-8-10-18)12-19-13-26(15,25)34-24(19,4)5/h6-10,15,19-22,29H,11-14H2,1-5H3/t15-,19-,20+,21+,22+,25-,26+/m0/s1",CC(=O)OC[C@]12[C@H](O)[C@H](OC(C)=O)C[C@H](C)[C@]13C[C@H](C[C@H]2OC(=O)c1ccccc1)C(C)(C)O3,C26H34O8,,474.225368048,SJCCUQCEQOTXML,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],3,3,6.831799030303955 9112,6461,1526,Terpenoids,Diterpenoids,Abietane diterpenoids,0.22421746,ISDB,PIJPSWNOKIPSCP-UHFFFAOYSA-N,"InChI=1S/C19H28O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,16-17,20-21H,5,8-9,11H2,1-4H3",CC(C)c1ccc2c(c1)C(O)CC1C(C)(O)CCCC21C,C19H28O2,,288.208930136,PIJPSWNOKIPSCP,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,9.396869838237762 9113,6460,1645,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6112751,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.9451003074646 9114,6458,1294,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5861572,ISDB,LDMMSWKNENETLX-AWEZNQCLSA-N,"InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)c(C)cc21,C16H22,,214.172150704,LDMMSWKNENETLX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],3,3,6.844628810882568 9115,6457,-1,,,,0.36804232,ISDB,JTZBNZLFISGTSK-VBUGCOLBSA-N,"InChI=1S/C24H36O7/c1-11(2)24-8-7-23(22(31-24)30-15(6)26)10-17-12(3)18(27)9-16(17)13(4)20(29-14(5)25)19(28)21(23)24/h11,13,16-22,27-28H,3,7-10H2,1-2,4-6H3/t13-,16+,17+,18+,19+,20+,21-,22-,23+,24-/m1/s1",C=C1[C@@H](O)C[C@H]2[C@@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]3[C@]4(CC[C@]3(C(C)C)O[C@H]4OC(C)=O)C[C@@H]12,C24H36O7,,436.246103492,JTZBNZLFISGTSK,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Plagiochila acanthophylla,3855839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Plagiochilaceae'],['Unknown'],['Plagiochila'],['Plagiochila acanthophylla'],3,0,4.472169280052185 9116,6457,-1,,,,0.36804232,ISDB,JTZBNZLFISGTSK-VBUGCOLBSA-N,"InChI=1S/C24H36O7/c1-11(2)24-8-7-23(22(31-24)30-15(6)26)10-17-12(3)18(27)9-16(17)13(4)20(29-14(5)25)19(28)21(23)24/h11,13,16-22,27-28H,3,7-10H2,1-2,4-6H3/t13-,16+,17+,18+,19+,20+,21-,22-,23+,24-/m1/s1",C=C1[C@@H](O)C[C@H]2[C@@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]3[C@]4(CC[C@]3(C(C)C)O[C@H]4OC(C)=O)C[C@@H]12,C24H36O7,,436.246103492,JTZBNZLFISGTSK,Terpenoids,Diterpenoids,Fusicoccane diterpenoids,Plagiochila sciophila,611317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Jungermanniales'],['Plagiochilaceae'],['Unknown'],['Plagiochila'],['Plagiochila sciophila'],3,0,4.472169280052185 9117,6455,-1,,,,0.5169293,ISDB,ILQLITDRYFHAGM-NSISKUIASA-N,"InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,ILQLITDRYFHAGM,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,9.06771731376648 9118,6454,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton1ethylamine,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9119,6454,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton1ethylamine,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9120,6452,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6840541,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7362163066864014 9121,6445,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1potassium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9122,6445,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1potassium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9123,6444,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.402316,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserti,5801012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserti'],4,1,6.109264016151428 9124,6444,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.402316,ISDB,FSMCJUNYLQOAIM-UQBZCTSOSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Salvia deserta,547900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia deserta'],4,1,6.109264016151428 9125,6444,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.402316,ISDB,FSMCJUNYLQOAIM-UHFFFAOYSA-N,"InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3",CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C,C33H56O6,,548.407689512,FSMCJUNYLQOAIM,Terpenoids,Steroids,Cholestane steroids,Annona squamosa,915056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona squamosa'],4,1,6.109264016151428 9126,6443,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton1ammonium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9127,6443,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton1ammonium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9128,6443,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton1ammonium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9129,6443,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton1ammonium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9130,6442,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.46617487,ISDB,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,10.364699482917786 9131,6442,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.46617487,ISDB,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.364699482917786 9132,6441,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZJHORUWDAUIHTD-UHFFFAOYSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)33(46-23(4)40)31-21(2)28(48-29(43)18-26(38(9)10)25-14-12-11-13-15-25)16-17-36(31,8)34(47-24(5)41)32(45-22(3)39)30(20)35(37,6)7/h11-15,26,28,31-34,44H,2,16-19H2,1,3-10H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C37H49NO10,pos_1_minus1proton1magnesium,667.335646768,ZJHORUWDAUIHTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9133,6441,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CVSYBUKGIXQKJN-QFTQROJLSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)32(46-23(4)40)30-21(2)28(48-34(43)26(38(9)10)18-25-14-12-11-13-15-25)16-17-36(30,8)33(47-24(5)41)31(45-22(3)39)29(20)35(37,6)7/h11-15,26,28,30-33,44H,2,16-19H2,1,3-10H3/t26?,28-,30-,31+,32-,33-,36+,37+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO10,pos_1_minus1proton1magnesium,667.335646768,CVSYBUKGIXQKJN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9134,6441,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,IKDVXNASCSGIHM-UHFFFAOYSA-N,"InChI=1S/C35H44O13/c1-17-23(40)15-34(32(6,7)42)26(17)27(47-31(41)22-12-10-9-11-13-22)29(45-19(3)37)33(8)24(44-18(2)36)14-25-35(16-43-25,48-21(5)39)28(33)30(34)46-20(4)38/h9-13,23-25,27-30,40,42H,14-16H2,1-8H3",CC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(C)=O)C3(C(C)(C)O)CC(O)C(C)=C3C(OC(=O)c3ccccc3)C(OC(C)=O)C12C,C35H44O13,pos_1_1proton1ammonium,672.2781914679998,IKDVXNASCSGIHM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9135,6440,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1sodium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9136,6440,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1sodium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9137,6440,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1sodium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9138,6440,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1sodium,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9139,6439,-1,,,,0.68858194,ISDB,QQYQFSONAPRYKI-ASSNKEHSSA-N,"InChI=1S/C22H22O6/c1-22(2)5-4-11-15(28-22)8-18-19(20(11)23-3)21-13(9-24-18)12-6-16-17(26-10-25-16)7-14(12)27-21/h6-8,13,21H,4-5,9-10H2,1-3H3/t13-,21+/m1/s1",COc1c2c(cc3c1[C@H]1Oc4cc5c(cc4[C@H]1CO3)OCO5)OC(C)(C)CC2,C22H22O6,,382.141638424,QQYQFSONAPRYKI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia mitis,324035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia mitis'],3,0,5.754327774047852 9140,6439,-1,,,,0.68858194,ISDB,QQYQFSONAPRYKI-ASSNKEHSSA-N,"InChI=1S/C22H22O6/c1-22(2)5-4-11-15(28-22)8-18-19(20(11)23-3)21-13(9-24-18)12-6-16-17(26-10-25-16)7-14(12)27-21/h6-8,13,21H,4-5,9-10H2,1-3H3/t13-,21+/m1/s1",COc1c2c(cc3c1[C@H]1Oc4cc5c(cc4[C@H]1CO3)OCO5)OC(C)(C)CC2,C22H22O6,,382.141638424,QQYQFSONAPRYKI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia amboensis,3922100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia amboensis'],3,0,5.754327774047852 9141,6438,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBPGDDYEFPQJLT-AATRIKPKSA-N,"InChI=1S/C10H12O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-7,11H,1-2H3/b6-5+",COc1ccc(/C=C/O)cc1OC,C10H12O3,pos_1_1proton,180.078644244,MBPGDDYEFPQJLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus,836788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Unknown'],6,3,7.5 9142,6437,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.71515644,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.860625743865967 9143,6436,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_1_1proton,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9144,6436,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_1_1proton,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9145,6435,-1,,,,0.7307864,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.923145532608032 9146,6431,501,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5073565,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.529426097869873 9147,6430,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4498293,ISDB,MRGKHDWUXCFJLK-JQERWDHBSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15,17H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O3,,316.203844756,MRGKHDWUXCFJLK,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.299317240715027 9148,6429,801,Terpenoids,Triterpenoids,Limonoids,0.45794195,ISDB,,,,,,,PPANCHFCINNDOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8317677974700928 9149,6428,232,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.22167292,ISDB,ASOODBVVZLZXTM-MHHZBQAMSA-N,"InChI=1S/C37H30O17/c38-15-8-20(42)28-27(9-15)52-34(13-4-22(44)31(49)23(45)5-13)36(54-37(51)14-6-24(46)32(50)25(47)7-14)30(28)29-21(43)11-18(40)16-10-26(48)33(53-35(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,26,30,33-34,36,38-50H,10H2/t26-,30+,33+,34+,36+/m0/s1",O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O17,,746.1482995000002,ASOODBVVZLZXTM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hamamelis virginiana,60713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Hamamelis'],['Hamamelis virginiana'],4,2,5.886691689491272 9150,6428,232,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.22167292,ISDB,ASOODBVVZLZXTM-MHHZBQAMSA-N,"InChI=1S/C37H30O17/c38-15-8-20(42)28-27(9-15)52-34(13-4-22(44)31(49)23(45)5-13)36(54-37(51)14-6-24(46)32(50)25(47)7-14)30(28)29-21(43)11-18(40)16-10-26(48)33(53-35(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,26,30,33-34,36,38-50H,10H2/t26-,30+,33+,34+,36+/m0/s1",O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O17,,746.1482995000002,ASOODBVVZLZXTM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus robur,239659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus robur'],4,2,5.886691689491272 9151,6428,232,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.22167292,ISDB,ASOODBVVZLZXTM-UHFFFAOYSA-N,"InChI=1S/C37H30O17/c38-15-8-20(42)28-27(9-15)52-34(13-4-22(44)31(49)23(45)5-13)36(54-37(51)14-6-24(46)32(50)25(47)7-14)30(28)29-21(43)11-18(40)16-10-26(48)33(53-35(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,26,30,33-34,36,38-50H,10H2",O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1,C37H30O17,,746.1482995,ASOODBVVZLZXTM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhododendron,66726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Unknown'],4,2,5.886691689491272 9152,6428,232,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.22167292,ISDB,ASOODBVVZLZXTM-ZQOGFOTDSA-N,"InChI=1S/C37H30O17/c38-15-8-20(42)28-27(9-15)52-34(13-4-22(44)31(49)23(45)5-13)36(54-37(51)14-6-24(46)32(50)25(47)7-14)30(28)29-21(43)11-18(40)16-10-26(48)33(53-35(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,26,30,33-34,36,38-50H,10H2/t26-,30-,33-,34-,36-/m1/s1",O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O17,,746.1482995,ASOODBVVZLZXTM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Alhagi sparsifolia,708291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi sparsifolia'],4,2,5.886691689491272 9153,6427,137,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5631369,ISDB,KMOHJUXDKSMQOG-CPUVFPGGSA-N,"InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6-,17-7-/t20-,34+,35-,38+,39-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C\c1ccc(O)cc1,C39H32O14,,724.179205704,KMOHJUXDKSMQOG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.7525475025177 9154,6424,2424,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.56085974,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.743438959121704 9155,6423,-1,,,,0.0,MS1_match,YDGALDXSZGMRLF-LWFMFQAFSA-N,"InChI=1S/C20H34O4/c1-17(2,23)20(24)9-6-14-13(11-20)15(22)10-16-18(3,12-21)7-5-8-19(14,16)4/h11,14-16,21-24H,5-10,12H2,1-4H3/t14-,15+,16-,18-,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H34O4,pos_1_1sodium,338.245709568,YDGALDXSZGMRLF,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9156,6422,-1,,,,0.0,MS1_match,BWDCJRUCCWZCIY-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3",CC=Cc1ccc(OC)c(OC)c1OC,C12H16O3,pos_2MNa,208.109944372,BWDCJRUCCWZCIY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,0,7.0 9157,6420,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9158,6420,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9159,6420,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9160,6420,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 9161,6419,1163,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1proton1ammonium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 9162,6419,1163,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1proton1ammonium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 9163,6419,1163,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1proton1ammonium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 9164,6419,1163,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1proton1ammonium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,7.5 9165,6417,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3384947,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.853978753089905 9166,6416,1925,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6115219,ISDB,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.94608759880066 9167,6413,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.54005784,ISDB,ILBAHYUERMUZFJ-QAETUUGQSA-N,"InChI=1S/C17H24O3/c1-10-5-8-15(12(3)9-20-13(4)18)17(19)16-11(2)6-7-14(10)16/h14-17,19H,1-3,5-9H2,4H3/t14-,15-,16-,17-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@@H](C(=C)COC(C)=O)[C@H](O)[C@@H]12,C17H24O3,,276.172544628,ILBAHYUERMUZFJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,2,10.160231351852417 9168,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,2,8.44730281829834 9169,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,2,8.44730281829834 9170,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,2,8.44730281829834 9171,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,2,8.44730281829834 9172,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,2,8.44730281829834 9173,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,2,8.44730281829834 9174,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,2,8.44730281829834 9175,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,2,8.44730281829834 9176,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,2,8.44730281829834 9177,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,2,8.44730281829834 9178,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,2,8.44730281829834 9179,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,2,8.44730281829834 9180,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,2,8.44730281829834 9181,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,2,8.44730281829834 9182,6412,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8618257,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,2,8.44730281829834 9183,6411,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1proton1ethylamine,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 9184,6411,-1,,,,0.0,MS1_match,ULWOIBVJYLRVQJ-QLCXNNNDSA-N,"InChI=1S/C22H34O4/c1-15(13-20(24)25)7-9-18-16(2)8-10-19-21(4,14-26-17(3)23)11-6-12-22(18,19)5/h13,18-19H,2,6-12,14H2,1,3-5H3,(H,24,25)/b15-13+/t18-,19-,21-,22+/m0/s1",C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C22H34O4,pos_1_1proton1ammonium,362.245709568,ULWOIBVJYLRVQJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 9185,6411,-1,,,,0.0,MS1_match,JWQFSZPHDJUDSP-JQERWDHBSA-N,"InChI=1S/C20H30O4/c1-13(2)14(12-21)6-7-15-16(22)8-9-17-19(15,3)10-5-11-20(17,4)18(23)24/h12,15,17H,5-11H2,1-4H3,(H,23,24)/t15-,17+,19+,20+/m0/s1",CC(C)=C(C=O)CC[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O,C20H30O4,pos_1_1proton1ethylamine,334.21440944,JWQFSZPHDJUDSP,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 9186,6411,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1proton1ethylamine,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 9187,6411,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1proton1ethylamine,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 9188,6411,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1proton1ethylamine,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 9189,6411,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)=CC(=O)O,C20H30O4,pos_1_1proton1ethylamine,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 9190,6411,-1,,,,0.0,MS1_match,OMNJRQNCWHCCBZ-BULWIKRESA-N,"InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C22H34O4,pos_1_1proton1ammonium,362.245709568,OMNJRQNCWHCCBZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 9191,6411,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1proton1ethylamine,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 9192,6411,-1,,,,0.0,MS1_match,CMIAIUZBKPLIOP-YZLZLFLDSA-N,"InChI=1S/C20H30O4/c1-19(2,24-22)14-8-10-16-13(12-14)7-9-17-15(18(21)23-4)6-5-11-20(16,17)3/h7,12,15-17,22H,5-6,8-11H2,1-4H3/t15-,16+,17-,20+/m1/s1",COC(=O)[C@@H]1CCC[C@]2(C)[C@@H]1CC=C1C=C(C(C)(C)OO)CC[C@@H]12,C20H30O4,pos_1_1proton1ethylamine,334.21440944,CMIAIUZBKPLIOP,Terpenoids,Sesquiterpenoids,,Pinus devoniana,635129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus devoniana'],6,0,6.0 9193,6411,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1proton1ethylamine,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 9194,6411,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1proton1ethylamine,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 9195,6411,-1,,,,0.0,MS1_match,QSFLWQIGANLWJS-JGKKSEDXSA-N,"InChI=1S/C20H30O4/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)7-4-8-20(17,11-21)18(23)24/h9,12,14-15,17,21H,4-8,10-11H2,1-3H3,(H,23,24)/t14-,15-,17+,19+,20+/m0/s1",CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1,C20H30O4,pos_1_1proton1ethylamine,334.21440944,QSFLWQIGANLWJS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 9196,6411,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1proton1ethylamine,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 9197,6411,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1proton1ethylamine,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 9198,6411,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-GWEOMKHGSA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1proton1ethylamine,334.21440943999994,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 9199,6411,-1,,,,0.0,MS1_match,OKMFHXAEWQEMEU-GMOZNSKDSA-N,"InChI=1S/C22H34O4/c1-6-26-22(14(2)3)11-8-16-15(13-22)17(23)12-18-20(16,4)9-7-10-21(18,5)19(24)25/h13-14,16,18H,6-12H2,1-5H3,(H,24,25)/t16-,18+,20+,21+,22-/m0/s1",CCO[C@]1(C(C)C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C22H34O4,pos_1_1proton1ammonium,362.245709568,OKMFHXAEWQEMEU,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 9200,6410,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_2MNa,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9201,6410,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_2MNa,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9202,6410,-1,,,,0.0,MS1_match,ZVFHKEBIIJSDDV-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)19-8-9-20(24-19)13(14(21)11-19)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h12-13,15H,5-11H2,1-4H3,(H,22,23)",CC(C)C12CCC3(O1)C(CC1C(C)(C(=O)O)CCCC13C)C(=O)C2,C20H30O4,pos_2MNa,334.21440944,ZVFHKEBIIJSDDV,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9203,6410,-1,,,,0.0,MS1_match,UCRJIYGYSLKACR-JQERWDHBSA-N,"InChI=1S/C20H30O4/c1-13(2)16(22)8-7-15-14(12-21)6-9-17-19(15,3)10-5-11-20(17,4)18(23)24/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,23,24)/t15-,17+,19+,20+/m0/s1",CC(C)C(=O)CC[C@H]1C(C=O)=CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O,C20H30O4,pos_2MNa,334.21440944,UCRJIYGYSLKACR,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9204,6410,-1,,,,0.0,MS1_match,GXWXWLWIAJYUMM-ZVSTVBAQSA-N,"InChI=1S/C20H30O4/c1-11(2)19-9-6-12-17(3)7-5-8-18(4,16(21)22)13(17)10-14-20(12,23-14)15(19)24-19/h11-15H,5-10H2,1-4H3,(H,21,22)/t12-,13-,14-,15-,17-,18-,19+,20+/m1/s1",CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4C[C@H]4O[C@@]34[C@@H]1O2,C20H30O4,pos_2MNa,334.21440944,GXWXWLWIAJYUMM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9205,6410,-1,,,,0.0,MS1_match,IQKPNFFLSFPURG-ANOHPKFUSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_2MNa,334.21440943999994,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9206,6410,-1,,,,0.0,MS1_match,IQKPNFFLSFPURG-ANOHPKFUSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_2MNa,334.21440943999994,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9207,6408,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium1acetonitrile,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9208,6408,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium1acetonitrile,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9209,6408,-1,,,,0.0,MS1_match,ZVFHKEBIIJSDDV-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)19-8-9-20(24-19)13(14(21)11-19)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h12-13,15H,5-11H2,1-4H3,(H,22,23)",CC(C)C12CCC3(O1)C(CC1C(C)(C(=O)O)CCCC13C)C(=O)C2,C20H30O4,pos_1_1sodium1acetonitrile,334.21440944,ZVFHKEBIIJSDDV,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9210,6408,-1,,,,0.0,MS1_match,UCRJIYGYSLKACR-JQERWDHBSA-N,"InChI=1S/C20H30O4/c1-13(2)16(22)8-7-15-14(12-21)6-9-17-19(15,3)10-5-11-20(17,4)18(23)24/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,23,24)/t15-,17+,19+,20+/m0/s1",CC(C)C(=O)CC[C@H]1C(C=O)=CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O,C20H30O4,pos_1_1sodium1acetonitrile,334.21440944,UCRJIYGYSLKACR,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9211,6408,-1,,,,0.0,MS1_match,GXWXWLWIAJYUMM-ZVSTVBAQSA-N,"InChI=1S/C20H30O4/c1-11(2)19-9-6-12-17(3)7-5-8-18(4,16(21)22)13(17)10-14-20(12,23-14)15(19)24-19/h11-15H,5-10H2,1-4H3,(H,21,22)/t12-,13-,14-,15-,17-,18-,19+,20+/m1/s1",CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4C[C@H]4O[C@@]34[C@@H]1O2,C20H30O4,pos_1_1sodium1acetonitrile,334.21440944,GXWXWLWIAJYUMM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9212,6408,-1,,,,0.0,MS1_match,IQKPNFFLSFPURG-ANOHPKFUSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_1_1sodium1acetonitrile,334.21440943999994,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9213,6408,-1,,,,0.0,MS1_match,IQKPNFFLSFPURG-ANOHPKFUSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_1_1sodium1acetonitrile,334.21440943999994,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9214,6407,-1,,,,0.0,MS1_match,KZBAXKKOXPLOBX-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3",COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1,C17H14O6,pos_1_1proton,314.07903816799995,KZBAXKKOXPLOBX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 9215,6406,713,Terpenoids,Steroids,Androstane steroids,0.70738494,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.329539775848389 9216,6405,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,8.5 9217,6405,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,8.5 9218,6405,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,GXWXWLWIAJYUMM-ZVSTVBAQSA-N,"InChI=1S/C20H30O4/c1-11(2)19-9-6-12-17(3)7-5-8-18(4,16(21)22)13(17)10-14-20(12,23-14)15(19)24-19/h11-15H,5-10H2,1-4H3,(H,21,22)/t12-,13-,14-,15-,17-,18-,19+,20+/m1/s1",CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4C[C@H]4O[C@@]34[C@@H]1O2,C20H30O4,pos_1_1proton1ammonium,334.21440944,GXWXWLWIAJYUMM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,8.5 9219,6405,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,IQKPNFFLSFPURG-ANOHPKFUSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,8.5 9220,6405,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,IQKPNFFLSFPURG-ANOHPKFUSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_1_1proton1ammonium,334.21440943999994,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,8.5 9221,6403,214,Terpenoids,Diterpenoids,Cassane diterpenoids,0.6476067,ISDB,OLPVLGPCVTYBMB-AZUAARDMSA-N,"InChI=1S/C20H24O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h6-8,11-12,18H,5,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1C=C2,C20H24O,,280.182715388,OLPVLGPCVTYBMB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Bowdichia nitida,326067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Leptolobieae'],['Bowdichia'],['Bowdichia nitida'],3,2,6.590426683425903 9222,6402,792,Terpenoids,Diterpenoids,Bufadienolides,0.23192482,ISDB,ZLGGXAQFLUDHSB-UZXBVNGWSA-N,"InChI=1S/C24H30O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,11,13,17-19,21,26,28H,4-5,7-10,12H2,1-2H3/t17-,18-,19-,21-,22+,23-,24+/m1/s1",C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O,C24H30O5,,398.20932406,ZLGGXAQFLUDHSB,Terpenoids,Steroids,Bufadienolides,Urginea maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,3,5.427699267864227 9223,6402,792,Terpenoids,Diterpenoids,Bufadienolides,0.23192482,ISDB,ZLGGXAQFLUDHSB-UZXBVNGWSA-N,"InChI=1S/C24H30O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,11,13,17-19,21,26,28H,4-5,7-10,12H2,1-2H3/t17-,18-,19-,21-,22+,23-,24+/m1/s1",C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O,C24H30O5,,398.20932406,ZLGGXAQFLUDHSB,Terpenoids,Steroids,Bufadienolides,Drimia maritima,34087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Drimia'],['Drimia maritima'],3,3,5.427699267864227 9224,6401,1925,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,GPFVBJYXFRIOFB-HNBVOPMISA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,pos_1_1proton1ammonium,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 9225,6401,1925,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,ABBATNXLJVFXOI-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,12,16-17,22-23H,5,8-9,11H2,1-4H3",CC(C)(O)c1ccc2c(c1)C(O)CC1C(C)(C=O)CCCC21C,C20H28O3,pos_1_1proton1ammonium,316.203844756,ABBATNXLJVFXOI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 9226,6401,1925,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,ILQLITDRYFHAGM-NSISKUIASA-N,"InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,pos_1_1proton1ammonium,316.203844756,ILQLITDRYFHAGM,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 9227,6401,1925,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,DNAMQWAMMWRLBC-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,17,21,23H,5,8-9,11-12H2,1-4H3",CC(C)(O)c1ccc2c(c1)C(=O)CC1C(C)(CO)CCCC21C,C20H28O3,pos_1_1proton1ammonium,316.203844756,DNAMQWAMMWRLBC,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,2,8.0 9228,6400,501,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.52482307,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.599292278289795 9229,6399,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45204896,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,9.30819582939148 9230,6399,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45204896,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,9.30819582939148 9231,6399,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45204896,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,9.30819582939148 9232,6399,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45204896,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.30819582939148 9233,6398,-1,,,,0.7714341,ISDB,VMOJIHDTVZTGDO-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3",Cc1ccc2c(C)ccc(C(C)C)c2c1,C15H18,,198.140850576,VMOJIHDTVZTGDO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,10.085736513137817 9234,6397,-1,,,,0.3722946,ISDB,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,0,6.489178419113159 9235,6396,-1,,,,0.5021703,ISDB,RWWVEQKPFPXLGL-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C20H30O2,,302.2245802,RWWVEQKPFPXLGL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nebrodensis,876310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nebrodensis'],6,0,8.008681297302246 9236,6395,-1,,,,0.65421844,ISDB,KXJMADAZFTXYKB-WBVHZDCISA-N,"InChI=1S/C17H24O2/c1-16(2)7-4-8-17(3)12-10-14(19)13(18)9-11(12)5-6-15(16)17/h9-10,15,18-19H,4-8H2,1-3H3/t15-,17+/m1/s1",CC1(C)CCC[C@@]2(C)c3cc(O)c(O)cc3CC[C@H]12,C17H24O2,,260.177630008,KXJMADAZFTXYKB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Celastrus orbiculatus,56757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus orbiculatus'],4,0,6.616873741149902 9237,6393,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3465495,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.886198043823242 9238,6392,-1,,,,0.6733509,ISDB,GPFVBJYXFRIOFB-HNBVOPMISA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,9.693403482437134 9239,6391,1108,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.56777215,ISDB,KMOHJUXDKSMQOG-NCLAQALISA-N,"InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+/t20-,34+,35-,38+,39-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C39H32O14,,724.179205704,KMOHJUXDKSMQOG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],5,3,8.771088600158691 9240,6390,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6009263,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,3,9.90370512008667 9241,6389,249,Terpenoids,Steroids,Cardenolides,0.3808662,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.023464798927307 9242,6388,1532,Terpenoids,Diterpenoids,Labdane diterpenoids,0.50741875,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,2,6.029675006866455 9243,6387,543,Terpenoids,Monoterpenoids,"Carotenoids (C40, β-ε)",0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 9244,6386,-1,,,,0.0,MS1_match,UHOHMRLFYQIKRL-UUAJXVIYSA-N,"InChI=1S/C17H28O4/c1-7-16(5)9-8-13(15(20)14(16)11(2)3)17(6,10-18)21-12(4)19/h7,13-15,18,20H,1-2,8-10H2,3-6H3/t13-,14-,15+,16-,17+/m1/s1",C=C[C@]1(C)CC[C@@H]([C@](C)(CO)OC(C)=O)[C@H](O)[C@H]1C(=C)C,C17H28O4,pos_1_1sodium,296.198759376,UHOHMRLFYQIKRL,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia kachirachirai,843602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kachirachirai'],7,0,7.0 9245,6386,-1,,,,0.0,MS1_match,RTFVWCRRSNVOBR-LZGGXURUSA-N,"InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6+/t15-,16+,17-/m1/s1",CC(=O)OC[C@@](C)(O)[C@H]1/C=C/[C@@](C)(O)CC/C=C(\C)CC1,C17H28O4,pos_1_1sodium,296.198759376,RTFVWCRRSNVOBR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 9246,6385,1594,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.48666432,ISDB,HKLBEHRJWPWLOB-QCNOEVLYSA-N,"InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1",C[C@@]12CC=C[C@]1(C)[C@H]1CC[C@@H]2C1,C12H18,,162.140850576,HKLBEHRJWPWLOB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],4,3,7.446657299995422 9247,6384,-1,,,,0.74907976,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,10.996319055557251 9248,6381,-1,,,,0.0,MS1_match,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,pos_1_1proton,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],7,0,7.0 9249,6379,1671,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.46500194,ISDB,WGBFUAXUABTOMO-UHFFFAOYSA-N,"InChI=1S/C17H26O3/c1-13(2)11-17(19)12-15(4)8-6-7-14(3)9-10-20-16(5)18/h8-9,11H,6-7,10,12H2,1-5H3",CC(=O)OCC=C(C)CCC=C(C)CC(=O)C=C(C)C,C17H26O3,,278.188194692,WGBFUAXUABTOMO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,3,9.360007762908936 9250,6378,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9251,6378,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9252,6378,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9253,6378,-1,,,,0.0,MS1_match,GXWXWLWIAJYUMM-ZVSTVBAQSA-N,"InChI=1S/C20H30O4/c1-11(2)19-9-6-12-17(3)7-5-8-18(4,16(21)22)13(17)10-14-20(12,23-14)15(19)24-19/h11-15H,5-10H2,1-4H3,(H,21,22)/t12-,13-,14-,15-,17-,18-,19+,20+/m1/s1",CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4C[C@H]4O[C@@]34[C@@H]1O2,C20H30O4,pos_1_1sodium,334.21440944,GXWXWLWIAJYUMM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9254,6378,-1,,,,0.0,MS1_match,UCRJIYGYSLKACR-JQERWDHBSA-N,"InChI=1S/C20H30O4/c1-13(2)16(22)8-7-15-14(12-21)6-9-17-19(15,3)10-5-11-20(17,4)18(23)24/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,23,24)/t15-,17+,19+,20+/m0/s1",CC(C)C(=O)CC[C@H]1C(C=O)=CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,UCRJIYGYSLKACR,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9255,6378,-1,,,,0.0,MS1_match,IQKPNFFLSFPURG-ANOHPKFUSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_1_1sodium,334.21440943999994,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9256,6378,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9257,6378,-1,,,,0.0,MS1_match,ZVFHKEBIIJSDDV-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)19-8-9-20(24-19)13(14(21)11-19)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h12-13,15H,5-11H2,1-4H3,(H,22,23)",CC(C)C12CCC3(O1)C(CC1C(C)(C(=O)O)CCCC13C)C(=O)C2,C20H30O4,pos_1_1sodium,334.21440944,ZVFHKEBIIJSDDV,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9258,6378,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9259,6378,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9260,6378,-1,,,,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1sodium,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9261,6378,-1,,,,0.0,MS1_match,IQKPNFFLSFPURG-ANOHPKFUSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20-9-6-15-18(3,16(20)10-14(13)23-24-20)7-5-8-19(15,4)17(21)22/h11-12,14-16H,5-10H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20-/m0/s1",CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3,C20H30O4,pos_1_1sodium,334.21440943999994,IQKPNFFLSFPURG,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 9262,6377,-1,,,,0.61504686,ISDB,DUEINKIQNGZKPL-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(CO)CCC[C@]23C)C1,C20H32O,,288.245315644,DUEINKIQNGZKPL,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,8.460187435150146 9263,6374,2671,Terpenoids,Diterpenoids,,0.20269114,ISDB,VRNQMWWERXXDMC-IBGZPJMESA-N,"InChI=1S/C19H28O/c1-6-19(5,20)13-11-15-9-10-17-16(14(15)2)8-7-12-18(17,3)4/h6,9-10,20H,1,7-8,11-13H2,2-5H3/t19-/m0/s1",C=C[C@](C)(O)CCc1ccc2c(c1C)CCCC2(C)C,C19H28O,,272.214015516,VRNQMWWERXXDMC,Terpenoids,Diterpenoids,,Haplopappus parvifolius,7599230.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus parvifolius'],3,2,4.81076455116272 9264,6373,-1,,,,0.0,MS1_match,DJOOMNLGIUGRKD-UHFFFAOYSA-N,"InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3",CC1=CCC(C(C)(C)O)CC1=O,C10H16O2,pos_2MNa,168.115029752,DJOOMNLGIUGRKD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 9265,6373,-1,,,,0.0,MS1_match,VBEKTMIFJPKWJA-PYIJOLGTSA-N,"InChI=1S/C20H32O4/c1-17(2,23)13-6-7-15-18(3)9-5-10-19(4,16(21)22)14(18)8-11-20(15,24)12-13/h12,14-15,23-24H,5-11H2,1-4H3,(H,21,22)/t14-,15-,18+,19+,20-/m1/s1",CC(C)(O)C1=C[C@]2(O)CC[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)O)[C@H]2CC1,C20H32O4,pos_1_1sodium,336.230059504,VBEKTMIFJPKWJA,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,0,6.0 9266,6373,-1,,,,0.0,MS1_match,ZGBSZOWVGHOHGO-KQEADHDNSA-N,"InChI=1S/C20H32O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h12-14,16,24H,5-11H2,1-4H3,(H,22,23)/t13-,14-,16+,18+,19-,20+/m0/s1",CC(C)[C@@]1(O)CC[C@H]2[C@H](C1)C(=O)C[C@@H]1[C@]2(C)CCC[C@]1(C)C(=O)O,C20H32O4,pos_1_1sodium,336.230059504,ZGBSZOWVGHOHGO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 9267,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-BWCMQUJESA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,0,6.0 9268,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-QTAXSFQDSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15+,16-,19-,20+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.230059504,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 9269,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-QBSBYYDBSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,0,6.0 9270,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-QBSBYYDBSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 9271,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-BWCMQUJESA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9272,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)CC(=O)O,C20H32O4,pos_1_1sodium,336.230059504,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 9273,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-BWCMQUJESA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,0,6.0 9274,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-QTAXSFQDSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15+,16-,19-,20+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.230059504,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 9275,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-QBSBYYDBSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,0,6.0 9276,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-QBSBYYDBSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 9277,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-BWCMQUJESA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_1sodium,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9278,6373,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)",C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)CC(=O)O,C20H32O4,pos_1_1sodium,336.230059504,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 9279,6371,707,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5017115,ISDB,BYQLYGRDILHOFF-LNKGRISISA-N,"InChI=1S/C20H30O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h6,12,15-16,23H,5,7-11H2,1-4H3,(H,21,22)/t15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O3,,318.21949482,BYQLYGRDILHOFF,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.506845951080322 9280,6370,1925,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7414609,ISDB,GXWXWLWIAJYUMM-ZVSTVBAQSA-N,"InChI=1S/C20H30O4/c1-11(2)19-9-6-12-17(3)7-5-8-18(4,16(21)22)13(17)10-14-20(12,23-14)15(19)24-19/h11-15H,5-10H2,1-4H3,(H,21,22)/t12-,13-,14-,15-,17-,18-,19+,20+/m1/s1",CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4C[C@H]4O[C@@]34[C@@H]1O2,C20H30O4,,334.21440944,GXWXWLWIAJYUMM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,11.465843677520752 9281,6369,1577,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.611244,ISDB,WFEGDFNMWPNYFI-HKVFQQTMSA-N,"InChI=1S/C27H24O10/c1-12(28)35-21-6-4-13(8-22(21)34-2)15-10-24(33)36-23-11-18(30)16-9-20(32)26(37-27(16)25(15)23)14-3-5-17(29)19(31)7-14/h3-8,11,15,20,26,29-32H,9-10H2,1-2H3/t15-,20+,26+/m0/s1",COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(c32)O[C@H](c2ccc(O)c(O)c2)[C@H](O)C4)ccc1OC(C)=O,C27H24O10,,508.136946968,WFEGDFNMWPNYFI,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Guibourtia coleosperma,698928.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Detarieae'],['Guibourtia'],['Guibourtia coleosperma'],3,3,6.944976091384888 9282,6368,-1,,,,0.5540509,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,5.216203689575195 9283,6367,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.53270376,ISDB,IWZFBAVAFRGYNH-FZLILWDNSA-N,"InChI=1S/C37H60O8/c1-11-20(2)31(43)45-30-29(44-21(3)39)32(4,5)18-23-22-12-13-25-34(8)16-15-26(40)33(6,7)24(34)14-17-35(25,9)36(22,10)27(41)28(42)37(23,30)19-38/h12,20,23-30,38,40-42H,11,13-19H2,1-10H3/t20-,23+,24+,25-,26+,27+,28-,29+,30+,34+,35-,36+,37+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO,C37H60O8,,632.42881888,IWZFBAVAFRGYNH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Barringtonia racemosa,281679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Barringtonia'],['Barringtonia racemosa'],4,1,6.630815029144287 9284,6366,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5140062,ISDB,PDEYVCIISSAEBG-DVSQZFJSSA-N,"InChI=1S/C33H48N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,21-22,26-29H,13-16,18-20H2,1-7H3,(H,34,36)/t22-,26+,27+,28+,29-,32+,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C)N(C)C,C33H48N2O,,488.376664156,PDEYVCIISSAEBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.55602478981018 9285,6365,2798,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.60225976,ISDB,WGTGFHYBNHMAFH-RTBURBONSA-N,"InChI=1S/C19H26O4/c1-11(2)12-9-13-14(10-15(12)20)18(5)8-6-7-17(3,4)19(18,22)23-16(13)21/h9-11,20,22H,6-8H2,1-5H3/t18-,19-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@]1(O)OC2=O,C19H26O4,,318.18310931199994,WGTGFHYBNHMAFH,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,2,8.40903902053833 9286,6364,2798,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.5157689,ISDB,LRYKWHACOCKPKB-SGFSRKTBSA-N,"InChI=1S/C19H24O3/c1-11(20)12-5-6-14-13(9-12)10-15-16-18(14,2)7-4-8-19(16,3)17(21)22-15/h9-10,14-16H,4-8H2,1-3H3/t14-,15+,16+,18+,19-/m0/s1",CC(=O)C1=CC2=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@](C)([C@@H]34)[C@H]2CC1,C19H24O3,,300.172544628,LRYKWHACOCKPKB,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,8.563075542449951 9287,6363,548,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5523947,ISDB,SJSSLQVSAGPTLO-OAQYLSRUSA-N,"InChI=1S/C21H28O3/c1-12(2)13-10-14-15(11-16(13)24-6)21(5)9-7-8-20(3,4)19(21)18(23)17(14)22/h10-12,23H,7-9H2,1-6H3/t21-/m1/s1",COc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C,C21H28O3,,328.203844756,SJSSLQVSAGPTLO,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.7095787525177 9288,6360,116,Terpenoids,Diterpenoids,Abietane diterpenoids,0.7178564,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,3,7.371425628662109 9289,6359,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7541905,ISDB,KYEPDZAEZNKJIE-INIZCTEOSA-N,"InChI=1S/C21H26O2/c1-11(2)13-7-8-14-15-9-10-16-18(15)20(23-21(16,4)5)19(22-6)17(14)12(13)3/h7-8,11,16H,9-10H2,1-6H3/t16-/m0/s1",COc1c2c3c(c4ccc(C(C)C)c(C)c14)CC[C@@H]3C(C)(C)O2,C21H26O2,,310.193280072,KYEPDZAEZNKJIE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia prionitis,31097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia prionitis'],3,3,7.516762018203735 9290,6358,-1,,,,0.505399,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,7.0215959548950195 9291,6357,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.20670144,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.326805770397186 9292,6356,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.7410824,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.964329481124878 9293,6355,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],6,0,6.0 9294,6355,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-UHFFFAOYSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3",CC=CC1CCCC(C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 9295,6355,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 9296,6355,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus torreyana,635132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus torreyana'],6,0,6.0 9297,6355,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_2MCa,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],6,0,6.0 9298,6354,-1,,,,0.3825098,ISDB,QMSWKASVXHXIKB-JUNANHINSA-N,"InChI=1S/C20H28O5/c1-18(2,25)13-8-11-9-15(22)16-19(3,12(11)10-14(13)21)6-5-7-20(16,4)17(23)24/h8-9,12,15-16,22,25H,5-7,10H2,1-4H3,(H,23,24)/t12-,15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=C[C@H](O)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O5,,348.1936739959999,QMSWKASVXHXIKB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.530039191246033 9299,6353,-1,,,,0.41195306,ISDB,BIKUIZPELKRTDU-UHFFFAOYSA-N,"InChI=1S/C26H36O8/c1-11-10-33-26(24(32)21(11)30)17(9-27)20-15-5-6-16-14(19(15)22(31)23(20)34-26)4-3-12-7-13(28)8-18(29)25(12,16)2/h3,11,13-14,16-18,20-21,23-24,27-30,32H,4-10H2,1-2H3",CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1O,C26H36O8,,476.241018112,BIKUIZPELKRTDU,Terpenoids,Steroids,Spirostane steroids,Trillium erectum,535817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium erectum'],3,0,4.647812247276306 9300,6353,-1,,,,0.41195306,ISDB,BIKUIZPELKRTDU-LIFKQPTISA-N,"InChI=1S/C26H36O8/c1-11-10-33-26(24(32)21(11)30)17(9-27)20-15-5-6-16-14(19(15)22(31)23(20)34-26)4-3-12-7-13(28)8-18(29)25(12,16)2/h3,11,13-14,16-18,20-21,23-24,27-30,32H,4-10H2,1-2H3/t11-,13+,14+,16-,17-,18+,20-,21+,23+,24-,25-,26-/m0/s1",C[C@H]1CO[C@@]2(O[C@H]3C(=O)C4=C(CC[C@H]5[C@H]4CC=C4C[C@@H](O)C[C@@H](O)[C@@]45C)[C@H]3[C@@H]2CO)[C@@H](O)[C@@H]1O,C26H36O8,,476.241018112,BIKUIZPELKRTDU,Terpenoids,Steroids,Spirostane steroids,Trillium camschatcense,76103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium camschatcense'],3,0,4.647812247276306 9301,6353,-1,,,,0.41195306,ISDB,BIKUIZPELKRTDU-LIFKQPTISA-N,"InChI=1S/C26H36O8/c1-11-10-33-26(24(32)21(11)30)17(9-27)20-15-5-6-16-14(19(15)22(31)23(20)34-26)4-3-12-7-13(28)8-18(29)25(12,16)2/h3,11,13-14,16-18,20-21,23-24,27-30,32H,4-10H2,1-2H3/t11-,13+,14+,16-,17-,18+,20-,21+,23+,24-,25-,26-/m0/s1",C[C@H]1CO[C@@]2(O[C@H]3C(=O)C4=C(CC[C@H]5[C@H]4CC=C4C[C@@H](O)C[C@@H](O)[C@@]45C)[C@H]3[C@@H]2CO)[C@@H](O)[C@@H]1O,C26H36O8,,476.241018112,BIKUIZPELKRTDU,Terpenoids,Steroids,Spirostane steroids,Trillium kamtschaticum,76103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Trillium'],['Trillium camschatcense'],3,0,4.647812247276306 9302,6352,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.67089164,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva australis,531752.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva australis'],2,3,6.183566570281982 9303,6352,165,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,0.67089164,ISDB,ORLDMMKUTCCBSM-WDSKDSINSA-N,"InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](C)NC1=O,C8H14N2O2,,170.105527688,ORLDMMKUTCCBSM,Alkaloids,Peptide alkaloids,Simple diketopiperazine alkaloids,Ulva pertusa,375206.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Ulvales'],['Ulvaceae'],['Unknown'],['Ulva'],['Ulva pertusa'],2,3,6.183566570281982 9304,6351,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZPTPAHYXDZSFJO-YYOBNSGMSA-N,"InChI=1S/C34H52N2O2/c1-22(35(6)7)24-16-17-32(5)27-15-14-26-30(2,3)28(36(8)29(38)23-12-10-9-11-13-23)25(37)20-34(26)21-33(27,34)19-18-31(24,32)4/h9-13,22,24-28,37H,14-21H2,1-8H3/t22-,24+,25+,26-,27-,28-,31+,32-,33-,34+/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)N(C)C,C34H52N2O2,pos_1_1proton1methanol,520.402878904,ZPTPAHYXDZSFJO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9305,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-RBBHKJGASA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4-,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C\C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bellidiastrum michelii,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.339291095733643 9306,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Aster bellidiastrum,74627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster bellidiastrum'],3,3,6.339291095733643 9307,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Greenmaniella resinosa,400169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Greenmaniella'],['Greenmaniella resinosa'],3,3,6.339291095733643 9308,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia australis,673550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia australis'],3,3,6.339291095733643 9309,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],3,3,6.339291095733643 9310,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pleiotaxis rugosa,996682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Dicomeae'],['Pleiotaxis'],['Pleiotaxis rugosa'],3,3,6.339291095733643 9311,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-GZESPCIDSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4?,15-13+,17-16?",C=CCCCC/C=C/C=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],3,3,6.339291095733643 9312,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.339291095733643 9313,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],3,3,6.339291095733643 9314,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Dahlia merckii,404241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Dahlia'],['Dahlia merckii'],3,3,6.339291095733643 9315,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis longula,7602247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis longula'],3,3,6.339291095733643 9316,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Coreopsis venusta,5794545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis venusta'],3,3,6.339291095733643 9317,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-GORQMSRHSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13+,17-16+",C=CCCCC/C=C/C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Calea ternifolia,5794515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea ternifolia'],3,3,6.339291095733643 9318,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-NLBXNPPRSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3/b6-4+,15-13-,17-16-",C=CCCCC/C=C\C=C/C#CC#C/C=C/C,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Bidens campylotheca,711728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens campylotheca'],3,3,6.339291095733643 9319,6349,968,Fatty acids,Fatty acyls,Hydrocarbons,0.45982277,ISDB,ZJZNMXVJKYOSGJ-UHFFFAOYSA-N,"InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,6,13,15-17H,1,5,7,9,11H2,2H3",C=CCCCCC=CC=CC#CC#CC=CC,C17H20,,224.15650064,ZJZNMXVJKYOSGJ,Fatty acids,Fatty acyls,Hydrocarbons,Pityopsis graminifolia var. graminifolia,177992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pityopsis'],['Pityopsis graminifolia'],3,3,6.339291095733643 9320,6347,-1,,,,0.24268523,ISDB,JVXFAGJSZZHFID-KQXGFKDYSA-N,"InChI=1S/C40H58O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,25,29,33,36H,15-16,23-24,26-28H2,1-10H3/b12-11?,19-13?,21-14?,30-17?,31-18?,32-20?,34-22?,35-25+",CC(C=CC=C(C)C/C=C1\C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C1C=C2C(C)(C)CCCC2(C)O1,C40H58O,,554.448766476,JVXFAGJSZZHFID,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Hippophae rhamnoides,623185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Elaeagnaceae'],['Unknown'],['Unknown'],['Hippophae rhamnoides'],4,0,4.970740914344788 9321,6346,1532,Terpenoids,Diterpenoids,Labdane diterpenoids,0.51009536,ISDB,ZUFDWKUXJOZMLK-KYDIXZHGSA-N,"InChI=1S/C24H34O7/c1-14-5-8-18-23(2,3)22(29)17(31-20(27)10-9-19(25)26)12-24(18,4)16(14)7-6-15-11-21(28)30-13-15/h5,11,16-18,22,29H,6-10,12-13H2,1-4H3,(H,25,26)/t16-,17+,18+,22+,24+/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CCC1=CC(=O)OC1,C24H34O7,,434.230453428,ZUFDWKUXJOZMLK,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],3,3,6.54038143157959 9322,6345,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.78378445,ISDB,,,,,,,HYJVYOWKYPNSTK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1351377964019775 9323,6344,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_1_1proton1isopropanol,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,8.0 9324,6338,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.41323116,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.152924656867981 9325,6336,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.7231579,ISDB,HKMQKWZDPMJSBO-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-12H,1-4H3",CC=Cc1ccc2oc(-c3ccc(OC)c(OC)c3)c(C)c2c1,C20H20O3,,308.1412445,HKMQKWZDPMJSBO,Shikimates and Phenylpropanoids,Lignans,,Eupomatia laurina,659249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Eupomatiaceae'],['Unknown'],['Eupomatia'],['Eupomatia laurina'],4,2,7.892631530761719 9326,6336,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.7231579,ISDB,HKMQKWZDPMJSBO-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-12H,1-4H3",CC=Cc1ccc2oc(-c3ccc(OC)c(OC)c3)c(C)c2c1,C20H20O3,,308.1412445,HKMQKWZDPMJSBO,Shikimates and Phenylpropanoids,Lignans,,Caryodaphnopsis tonkinensis,634478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Caryodaphnopsis'],['Caryodaphnopsis tonkinensis'],4,2,7.892631530761719 9327,6336,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.7231579,ISDB,HKMQKWZDPMJSBO-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-12H,1-4H3",CC=Cc1ccc2oc(-c3ccc(OC)c(OC)c3)c(C)c2c1,C20H20O3,,308.1412445,HKMQKWZDPMJSBO,Shikimates and Phenylpropanoids,Lignans,,Eupomatia bennettii,971331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Eupomatiaceae'],['Unknown'],['Eupomatia'],['Eupomatia bennettii'],4,2,7.892631530761719 9328,6334,-1,,,,0.6418082,ISDB,NJTZMJYMSGEBJC-UGSOOPFHSA-N,"InChI=1S/C20H16O7/c21-19(12-2-4-15-17(7-12)27-10-25-15)18-13(8-23-20(18)22)5-11-1-3-14-16(6-11)26-9-24-14/h1-4,6-7,13,18H,5,8-10H2/t13-,18-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccc2c(c1)OCO2,C20H16O7,,368.089602852,NJTZMJYMSGEBJC,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,7.567232847213745 9329,6334,-1,,,,0.6418082,ISDB,NJTZMJYMSGEBJC-UGSOOPFHSA-N,"InChI=1S/C20H16O7/c21-19(12-2-4-15-17(7-12)27-10-25-15)18-13(8-23-20(18)22)5-11-1-3-14-16(6-11)26-9-24-14/h1-4,6-7,13,18H,5,8-10H2/t13-,18-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccc2c(c1)OCO2,C20H16O7,,368.089602852,NJTZMJYMSGEBJC,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,0,7.567232847213745 9330,6334,-1,,,,0.6418082,ISDB,NJTZMJYMSGEBJC-UGSOOPFHSA-N,"InChI=1S/C20H16O7/c21-19(12-2-4-15-17(7-12)27-10-25-15)18-13(8-23-20(18)22)5-11-1-3-14-16(6-11)26-9-24-14/h1-4,6-7,13,18H,5,8-10H2/t13-,18-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccc2c(c1)OCO2,C20H16O7,,368.089602852,NJTZMJYMSGEBJC,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,0,7.567232847213745 9331,6331,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9332,6331,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9333,6331,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9334,6331,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 9335,6330,439,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2817466,ISDB,NYEXXEJYGVAGEE-BHIYHBOVSA-N,"InChI=1S/C19H28O2/c1-17(2,20)14-7-8-15-13(12-14)6-9-16-18(15,3)10-5-11-19(16,4)21/h7-8,12,16,20-21H,5-6,9-11H2,1-4H3/t16-,18-,19-/m1/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C,C19H28O2,,288.208930136,NYEXXEJYGVAGEE,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.626986384391785 9336,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-QTSLKERKSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)C(O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Lonchocarpus heptaphyllus,922295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus heptaphyllus'],3,0,5.360894203186035 9337,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-OVHBTUCOSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],3,0,5.360894203186035 9338,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-OVHBTUCOSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],3,0,5.360894203186035 9339,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-BIVRFLNRSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4+,5-,6-,7+/m1/s1",OC[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Suregada glomerulata,1082259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada glomerulata'],3,0,5.360894203186035 9340,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-OVHBTUCOSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],3,0,5.360894203186035 9341,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-QTSLKERKSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)C(O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Hyacinthus orientalis,712150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthus'],['Hyacinthus orientalis'],3,0,5.360894203186035 9342,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-OVHBTUCOSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Xanthocercis zambesiaca,980886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Xanthocercis'],['Xanthocercis zambesiaca'],3,0,5.360894203186035 9343,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-OVHBTUCOSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],3,0,5.360894203186035 9344,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-OVHBTUCOSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Commelina communis,877757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Commelinaceae'],['Unknown'],['Commelina'],['Commelina communis'],3,0,5.360894203186035 9345,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-OVHBTUCOSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Omphalea diandra,630887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Omphaleae'],['Omphalea'],['Omphalea diandra'],3,0,5.360894203186035 9346,6328,-1,,,,0.59022355,ISDB,CLVUFWXGNIFGNC-OVHBTUCOSA-N,"InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1",OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H15NO5,,193.09502258,CLVUFWXGNIFGNC,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],3,0,5.360894203186035 9347,6327,3698,Terpenoids,Diterpenoids,Abietane diterpenoids,0.46762875,ISDB,PRZSMDYEVUSNJM-SLFFLAALSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H28O2,,300.208930136,PRZSMDYEVUSNJM,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,3,10.370514988899231 9348,6326,329,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,0.7297003,ISDB,CIIYOYPOMGIECX-MGPQQGTHSA-N,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14-/m1/s1",C=C1CC[C@@H]2[C@H](CC2(C)C)C(=C)CC[C@H]1O,C15H24O,,220.182715388,CIIYOYPOMGIECX,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],5,2,8.918801307678223 9349,6325,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.5454989,ISDB,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.681995630264282 9350,6324,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.2521428,ISDB,CBAKLDDYQIIIJT-DDQXOTRXSA-N,"InChI=1S/C37H51NO8/c1-21-28-18-27-19-31(43-23(3)39)22(2)33(36(27,6)7)34(44-24(4)40)35(45-25(5)41)37(28,8)17-16-30(21)46-32(42)20-29(38(9)10)26-14-12-11-13-15-26/h11-15,27-31,34-35H,1,16-20H2,2-10H3/t27-,28-,29-,30+,31+,34-,35+,37-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C37H51NO8,,637.361467592,CBAKLDDYQIIIJT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,8.508571147918701 9351,6322,897,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.78356993,ISDB,OUTWZGVRBJVENE-SANMLTNESA-N,"InChI=1S/C31H22O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-11,13,26,32-36H,12H2,1H3/t26-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1-c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C31H22O10,,554.1212969039999,OUTWZGVRBJVENE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cycas circinalis,99243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cycadales'],['Cycadaceae'],['Unknown'],['Cycas'],['Cycas circinalis'],3,3,7.634279727935791 9352,6322,897,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.78356993,ISDB,OUTWZGVRBJVENE-SANMLTNESA-N,"InChI=1S/C31H22O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-11,13,26,32-36H,12H2,1H3/t26-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1-c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C31H22O10,,554.1212969039999,OUTWZGVRBJVENE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Selaginella uncinata,743291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Selaginellales'],['Selaginellaceae'],['Unknown'],['Selaginella'],['Selaginella uncinata'],3,3,7.634279727935791 9353,6319,2414,Terpenoids,Steroids,Steroidal alkaloids,0.52898973,ISDB,GUMUPBSXTQNKBR-OHYAFXIJSA-N,"InChI=1S/C33H50N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,22,24,26-29H,13-16,18-21H2,1-7H3,(H,34,36)/t22-,24-,26+,27+,28+,29-,32+,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]12C)N(C)C,C33H50N2O,,490.39231422,GUMUPBSXTQNKBR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.61595892906189 9354,6318,-1,,,,0.695233,ISDB,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.780931949615479 9355,6318,-1,,,,0.695233,ISDB,XLUHSPYVUOVWRM-HXUWFJFHSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cryptomeria japonica var. sinensis,751755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.780931949615479 9356,6317,-1,,,,0.83320343,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,0,8.332813739776611 9357,6317,-1,,,,0.83320343,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,8.332813739776611 9358,6314,140,Terpenoids,Steroids,Cardenolides,0.21412511,ISDB,HUZOIBMLVDVMHU-ZYRLFBBBSA-N,"InChI=1S/C24H32O7/c1-14(25)29-18-13-16-19(26)24(31-21(16,2)3)22(4,28)12-11-17(23(18,24)5)30-20(27)15-9-7-6-8-10-15/h6-10,16-19,26,28H,11-13H2,1-5H3/t16-,17+,18+,19-,22+,23+,24+/m1/s1",CC(=O)O[C@H]1C[C@@H]2[C@@H](O)[C@@]3(OC2(C)C)[C@@]1(C)[C@@H](OC(=O)c1ccccc1)CC[C@]3(C)O,C24H32O7,,432.214803364,HUZOIBMLVDVMHU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Orthosphenia mexicana,755524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Orthosphenia'],['Orthosphenia mexicana'],3,1,4.356500446796417 9359,6312,-1,,,,0.6081765,ISDB,SKPFMEIKMTZMSG-UHFFFAOYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3",C=C1CC2C(OC(=O)CC(=O)OC)CC3C(C)(C)CCCC3(C)C23CCC1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Calceolaria dentata,357633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Calceolariaceae'],['Unknown'],['Calceolaria'],['Calceolaria dentata'],3,0,5.432706117630005 9360,6312,-1,,,,0.6081765,ISDB,SKPFMEIKMTZMSG-CPSJUSPYSA-N,"InChI=1S/C24H36O4/c1-15-11-17-18(28-21(26)13-20(25)27-5)12-19-22(2,3)8-6-9-23(19,4)24(17)10-7-16(15)14-24/h16-19H,1,6-14H2,2-5H3/t16-,17+,18-,19-,23-,24-/m0/s1",C=C1C[C@@H]2[C@@H](OC(=O)CC(=O)OC)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@H]1C3,C24H36O4,,388.261359632,SKPFMEIKMTZMSG,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],3,0,5.432706117630005 9361,6311,-1,,,,0.5852348,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,8.340939283370972 9362,6311,-1,,,,0.5852348,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,8.340939283370972 9363,6311,-1,,,,0.5852348,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,8.340939283370972 9364,6311,-1,,,,0.5852348,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,8.340939283370972 9365,6310,-1,,,,0.0,MS1_match,IODGQWWTJYDCLN-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O,C17H14O7,pos_1_1proton,330.073952788,IODGQWWTJYDCLN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 9366,6307,897,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.77409184,ISDB,DZUMWIOUSTYKKH-QHCPKHFHSA-N,"InChI=1S/C30H20O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-10,12-13,23,31-33,36-37H,11H2/t23-/m0/s1",O=C1C[C@@H](c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)Oc2cc(O)cc(O)c21,C30H20O10,,540.10564684,DZUMWIOUSTYKKH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,2,11.096367359161377 9367,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-BBEQLWDVSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 9368,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 9369,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,ONKDPBFYYUGYFL-JTWKOTESSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-30,37-42H,2,9-17H2,1,3-7H3/t18-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.392433372,ONKDPBFYYUGYFL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 9370,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KGDLSCYYZVWTEV-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C,C36H56O9,pos_1_minus1proton1iron,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 9371,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,KGDLSCYYZVWTEV-WNFJHCJXSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8-9,18-19,21-24,26-30,37-42H,10-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C2[C@H]1C)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]2CC[C@]13C,C36H56O9,pos_1_minus1proton1iron,632.392433372,KGDLSCYYZVWTEV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 9372,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,GWYQGWNTTYSJEW-WAZFAAFDSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O9,pos_1_minus1proton1iron,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 9373,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,GWYQGWNTTYSJEW-UHFFFAOYSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3",CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1,C36H56O9,pos_1_minus1proton1iron,632.392433372,GWYQGWNTTYSJEW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 9374,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 9375,6306,230,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,OFWIRPXDLBDEFC-NRAYHWQBSA-N,"InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O9,pos_1_minus1proton1iron,632.3924333719999,OFWIRPXDLBDEFC,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 9376,6305,1011,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5504332,ISDB,FUSPELHEBSYWMX-XAFCOPFISA-N,"InChI=1S/C26H32O6/c1-13(2)12-19(28)23-16(5)18-11-10-15(4)21(18)25(30-23)26(31-17(6)27)24(29)22-14(3)8-7-9-20(22)32-26/h7-9,13,15,18,21,25H,10-12H2,1-6H3/t15-,18+,21+,25+,26-/m0/s1",CC(=O)O[C@]1([C@@H]2OC(C(=O)CC(C)C)=C(C)[C@H]3CC[C@H](C)[C@H]32)Oc2cccc(C)c2C1=O,C26H32O6,,440.219888744,FUSPELHEBSYWMX,Terpenoids,,,Aphyllocladus denticulatus,6059615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Onoserideae'],['Aphyllocladus'],['Aphyllocladus denticulatus'],3,1,5.701732873916626 9377,6303,342,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.74191827,ISDB,CLOLDMTTYQNMNE-YYOUGLFJSA-N,"InChI=1S/C22H32O5/c1-13(25)27-19-6-7-20(2)16-5-4-14-9-22(16,10-15(14)11-23)18(26)8-17(20)21(19,3)12-24/h10-11,14,16-19,24,26H,4-9,12H2,1-3H3/t14-,16+,17+,18+,19-,20+,21-,22-/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@]34C=C(C=O)[C@H](CC[C@@H]23)C4)[C@@]1(C)CO,C22H32O5,,376.224974124,CLOLDMTTYQNMNE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Sideritis hirsuta,7629238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis hirsuta'],3,3,7.467673063278198 9378,6302,2591,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.80510277,ISDB,BYQQDLUCCAZYJO-PGKPSXLWSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2/t10-,11+,12+,14+,15+/m0/s1",O=C1CCC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@](O)(CN12)[C@@H]34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,3,7.720411062240601 9379,6302,2591,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.80510277,ISDB,BYQQDLUCCAZYJO-PGKPSXLWSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2/t10-,11+,12+,14+,15+/m0/s1",O=C1CCC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@](O)(CN12)[C@@H]34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora tonkinensis,434824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tonkinensis'],3,3,7.720411062240601 9380,6302,2591,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.80510277,ISDB,BYQQDLUCCAZYJO-UHFFFAOYSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2",O=C1CCCC2C3CC(O)CN4CCCC(O)(CN12)C34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Eria anomala,3979504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Eria'],['Eria anomala'],3,3,7.720411062240601 9381,6302,2591,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.80510277,ISDB,BYQQDLUCCAZYJO-UHFFFAOYSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2",O=C1CCCC2C3CC(O)CN4CCCC(O)(CN12)C34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],3,3,7.720411062240601 9382,6301,-1,,,,0.50893164,ISDB,VFLFRNUNYMZADL-FAMHMAGJSA-N,"InChI=1S/C27H38O7/c1-23(2)14-9-13(28)19-20(25(14,4)8-7-16(23)29)21(32)22(33)26(5)15(10-17(30)27(19,26)6)24(3)11-18(31)34-12-24/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14-,15+,16-,22-,24?,25-,26-,27-/m0/s1",CC1([C@H]2CC(=O)[C@@]3(C)C4=C(C(=O)[C@H](O)[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2C[C@@H]4O)COC(=O)C1,C27H38O7,,474.261753556,VFLFRNUNYMZADL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Ganoderma lucidum,60045.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Ganodermataceae'],['Unknown'],['Ganoderma'],['Ganoderma lucidum'],1,0,3.035726547241211 9383,6299,1108,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.40173665,ISDB,KMOHJUXDKSMQOG-NCLAQALISA-N,"InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+/t20-,34+,35-,38+,39-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C39H32O14,,724.179205704,KMOHJUXDKSMQOG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],5,3,8.106946587562561 9384,6298,123,,,,0.4950932,ISDB,,,,,,,OCHZTELGZBWSJD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9803727865219116 9385,6296,1478,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.37370557,ISDB,NYBCPVODSGRKRC-XETPBLJFSA-N,"InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+/t15-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C,C15H24O2,,236.177630008,NYBCPVODSGRKRC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pentzia incana,960565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Pentzia'],['Pentzia incana'],3,3,5.994822263717651 9386,6296,1478,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.37370557,ISDB,NYBCPVODSGRKRC-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3",C=CC(C)(O)CCC=C(C)CC(=O)C=C(C)C,C15H24O2,,236.177630008,NYBCPVODSGRKRC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],3,3,5.994822263717651 9387,6296,1478,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.37370557,ISDB,NYBCPVODSGRKRC-XETPBLJFSA-N,"InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+/t15-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C,C15H24O2,,236.177630008,NYBCPVODSGRKRC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],3,3,5.994822263717651 9388,6296,1478,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.37370557,ISDB,NYBCPVODSGRKRC-XETPBLJFSA-N,"InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+/t15-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C,C15H24O2,,236.177630008,NYBCPVODSGRKRC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],3,3,5.994822263717651 9389,6296,1478,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.37370557,ISDB,NYBCPVODSGRKRC-XETPBLJFSA-N,"InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+/t15-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C,C15H24O2,,236.177630008,NYBCPVODSGRKRC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Schistostephium crataegifolium,532248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Schistostephium'],['Schistostephium crataegifolium'],3,3,5.994822263717651 9390,6296,1478,Terpenoids,Sesquiterpenoids,Acyclic monoterpenoids,0.37370557,ISDB,NYBCPVODSGRKRC-NRUITVPNSA-N,"InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+/t15-/m0/s1",C=C[C@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C,C15H24O2,,236.177630008,NYBCPVODSGRKRC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],3,3,5.994822263717651 9391,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,0,6.0 9392,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,0,6.0 9393,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum macrostemon,17158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum macrostemon'],6,0,6.0 9394,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,0,6.0 9395,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum yabunikkei,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,0,6.0 9396,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum insulari-montanum,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,0,6.0 9397,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 9398,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 9399,6294,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 9400,6289,11,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.70100844,ISDB,ZGLXUQQMLLIKAN-QTJFZDIUSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19-,20+/m0/s1",COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC,C22H22O7,,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,11.304033756256104 9401,6288,11,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.74472797,ISDB,FRJBYSJHGINKNZ-HNNXBMFYSA-N,"InChI=1S/C22H20O6/c1-11(2)15-9-14-16(27-15)10-17-18(21(14)25-3)19(24)22(26-4)20(28-17)12-5-7-13(23)8-6-12/h5-8,10,15,23H,1,9H2,2-4H3/t15-/m0/s1",C=C(C)[C@@H]1Cc2c(cc3oc(-c4ccc(O)cc4)c(OC)c(=O)c3c2OC)O1,C22H20O6,,380.12598836,FRJBYSJHGINKNZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vellozia stipitata,3968438.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia stipitata'],3,1,6.478911876678467 9402,6287,-1,,,,0.0,MS1_match,VGJMSQCITPKNFM-ZJPYXAASSA-N,"InChI=1S/C19H30O6/c1-7-18(6)9-8-15(17(22)16(18)12(2)3)19(23,10-24-13(4)20)11-25-14(5)21/h7,15-17,22-23H,1-2,8-11H2,3-6H3/t15-,16-,17+,18-/m1/s1",C=C[C@]1(C)CC[C@@H](C(O)(COC(C)=O)COC(C)=O)[C@H](O)[C@H]1C(=C)C,C19H30O6,pos_1_1proton1ethylamine,354.20423868,VGJMSQCITPKNFM,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9403,6285,137,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5595476,ISDB,KMOHJUXDKSMQOG-CPUVFPGGSA-N,"InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6-,17-7-/t20-,34+,35-,38+,39-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C\c1ccc(O)cc1,C39H32O14,,724.179205704,KMOHJUXDKSMQOG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.738190412521362 9404,6282,546,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.44039008,ISDB,ULDHMXUKGWMISQ-SECBINFHSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1",C=C(C)[C@@H]1CC=C(C)C(=O)C1,C10H14O,,150.104465068,ULDHMXUKGWMISQ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,8.261560320854187 9405,6281,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5562771,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.72510838508606 9406,6281,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5562771,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,10.72510838508606 9407,6279,1326,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6437023,ISDB,TYUMAYSMJLPFAN-UHFFFAOYSA-N,"InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1,C31H20O10,,552.1056468399998,TYUMAYSMJLPFAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalotaxus harringtonii,10224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Cephalotaxus'],['Cephalotaxus harringtonia'],5,3,9.074809312820435 9408,6279,1326,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6437023,ISDB,TYUMAYSMJLPFAN-UHFFFAOYSA-N,"InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1,C31H20O10,,552.1056468399998,TYUMAYSMJLPFAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cephalotaxus harringtonia,10224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Cephalotaxus'],['Cephalotaxus harringtonia'],5,3,9.074809312820435 9409,6279,1326,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6437023,ISDB,TYUMAYSMJLPFAN-UHFFFAOYSA-N,"InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1,C31H20O10,,552.1056468399998,TYUMAYSMJLPFAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Amentotaxus yunnanensis,709315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Amentotaxus'],['Amentotaxus yunnanensis'],5,3,9.074809312820435 9410,6278,-1,,,,0.0,MS1_match,VGJMSQCITPKNFM-ZJPYXAASSA-N,"InChI=1S/C19H30O6/c1-7-18(6)9-8-15(17(22)16(18)12(2)3)19(23,10-24-13(4)20)11-25-14(5)21/h7,15-17,22-23H,1-2,8-11H2,3-6H3/t15-,16-,17+,18-/m1/s1",C=C[C@]1(C)CC[C@@H](C(O)(COC(C)=O)COC(C)=O)[C@H](O)[C@H]1C(=C)C,C19H30O6,pos_2MNa,354.20423868,VGJMSQCITPKNFM,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9411,6276,-1,,,,0.0,MS1_match,VGJMSQCITPKNFM-ZJPYXAASSA-N,"InChI=1S/C19H30O6/c1-7-18(6)9-8-15(17(22)16(18)12(2)3)19(23,10-24-13(4)20)11-25-14(5)21/h7,15-17,22-23H,1-2,8-11H2,3-6H3/t15-,16-,17+,18-/m1/s1",C=C[C@]1(C)CC[C@@H](C(O)(COC(C)=O)COC(C)=O)[C@H](O)[C@H]1C(=C)C,C19H30O6,pos_1_1sodium,354.20423868,VGJMSQCITPKNFM,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9412,6275,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6552905,ISDB,DFYHVSRWEQLWAJ-HTOAHKCRSA-N,"InChI=1S/C15H24N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h10-14,18H,1-9H2/t10-,11+,12+,13-,14+/m1/s1",O=C1[C@H]2C[C@H](CN3CCCC[C@H]23)[C@@H]2CCC[C@H](O)N12,C15H24N2O2,,264.183778008,DFYHVSRWEQLWAJ,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Pinus hartwegii,212471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus hartwegii'],6,3,10.121161937713623 9413,6274,-1,,,,0.51616997,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,0,5.064679861068726 9414,6273,3143,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.0,MS1_match,ODNZGWQSPYLHGS-XJKCOSOUSA-N,"InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3/t12-,13-,16-/m1/s1",C=C[C@]1(C)C[C@H]2OC(=O)C(C)=C2C[C@@H]1C(=C)C(=O)OC,C16H20O4,pos_1_1proton1isopropanol,276.13615912,ODNZGWQSPYLHGS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Neolitsea hiiranensis,5699234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea hiiranensis'],6,3,7.5 9415,6273,3143,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.0,MS1_match,ODNZGWQSPYLHGS-XJKCOSOUSA-N,"InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3/t12-,13-,16-/m1/s1",C=C[C@]1(C)C[C@H]2OC(=O)C(C)=C2C[C@@H]1C(=C)C(=O)OC,C16H20O4,pos_1_1proton1isopropanol,276.13615912,ODNZGWQSPYLHGS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],6,3,7.5 9416,6272,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.46546277,ISDB,VKYKSKXCKNSITK-UHFFFAOYSA-N,"InChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3-6,9-12H,13-16H2,1-2H3",CC=CC=CC#CC=CC=CCCCCOC(C)=O,C17H22O2,,258.161979944,VKYKSKXCKNSITK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],4,0,5.861851096153259 9417,6272,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.46546277,ISDB,VKYKSKXCKNSITK-ZRIKKMCISA-N,"InChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3-6,9-12H,13-16H2,1-2H3/b4-3+,6-5+,10-9+,12-11+",C/C=C/C=C/C#C/C=C/C=C/CCCCOC(C)=O,C17H22O2,,258.161979944,VKYKSKXCKNSITK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],4,0,5.861851096153259 9418,6272,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.46546277,ISDB,VKYKSKXCKNSITK-ZRIKKMCISA-N,"InChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3-6,9-12H,13-16H2,1-2H3/b4-3+,6-5+,10-9+,12-11+",C/C=C/C=C/C#C/C=C/C=C/CCCCOC(C)=O,C17H22O2,,258.161979944,VKYKSKXCKNSITK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],4,0,5.861851096153259 9419,6272,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.46546277,ISDB,VKYKSKXCKNSITK-ZRIKKMCISA-N,"InChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3-6,9-12H,13-16H2,1-2H3/b4-3+,6-5+,10-9+,12-11+",C/C=C/C=C/C#C/C=C/C=C/CCCCOC(C)=O,C17H22O2,,258.161979944,VKYKSKXCKNSITK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],4,0,5.861851096153259 9420,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,3,8.999759674072266 9421,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,3,8.999759674072266 9422,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,3,8.999759674072266 9423,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,3,8.999759674072266 9424,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,3,8.999759674072266 9425,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,3,8.999759674072266 9426,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,3,8.999759674072266 9427,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,3,8.999759674072266 9428,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,3,8.999759674072266 9429,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,3,8.999759674072266 9430,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,3,8.999759674072266 9431,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,3,8.999759674072266 9432,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,3,8.999759674072266 9433,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,3,8.999759674072266 9434,6271,1948,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8749399,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,3,8.999759674072266 9435,6270,1044,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7771847,ISDB,FWKQNCXZGNBPFD-UHFFFAOYSA-N,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",Cc1ccc(C(C)C)cc2c(C)ccc1-2,C15H18,,198.140850576,FWKQNCXZGNBPFD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.608738899230957 9436,6268,-1,,,,0.45113832,ISDB,UMWJFTBXLSDEAV-CUEYUJEYSA-N,"InChI=1S/C33H46O5/c1-10-23(8)26-24(19-34)17-31(9)25(12-11-20(2)3)18-32(15-13-21(4)5)29(36)33(38-30(32)37,16-14-22(6)7)28(35)27(26)31/h11,13-14,19,23,25,27H,10,12,15-18H2,1-9H3/t23?,25-,27+,31+,32+,33-/m0/s1",CCC(C)C1=C(C=O)C[C@]2(C)[C@@H](CC=C(C)C)C[C@@]3(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H]12)C3=O,C33H46O5,,522.334524572,UMWJFTBXLSDEAV,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Hypericum henryi,657316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum henryi'],4,0,5.804553270339966 9437,6267,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NTRHFSRAAXRZLC-FJANQRQLSA-N,"InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C30H42O11,pos_1_1sodium,578.2727121639999,NTRHFSRAAXRZLC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,3,7.5 9438,6267,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NTRHFSRAAXRZLC-FJANQRQLSA-N,"InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C30H42O11,pos_1_1sodium,578.2727121639999,NTRHFSRAAXRZLC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9439,6267,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NTRHFSRAAXRZLC-FJANQRQLSA-N,"InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C30H42O11,pos_1_1sodium,578.2727121639999,NTRHFSRAAXRZLC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 9440,6267,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JKTMDTDVVTZUPC-BYMXLENQSA-N,"InChI=1S/C30H42O11/c1-14-21-12-30(28(8,9)36)13-23(38-17(4)32)15(2)25(30)26(40-19(6)34)27(41-20(7)35)29(21,10)24(39-18(5)33)11-22(14)37-16(3)31/h21-24,26-27,36H,1,11-13H2,2-10H3/t21-,22+,23+,24+,26-,27+,29+,30+/m1/s1",C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O,C30H42O11,pos_1_1sodium,578.272712164,JKTMDTDVVTZUPC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9441,6266,-1,,,,0.0,MS1_match,OYGYAJRTYGLJDV-GMZLKGLPSA-N,"InChI=1S/C28H38O11/c1-12-18(33)11-20(35-13(2)29)26(8)21(12)22(36-14(3)30)17-10-19(34)27(9)28(39-27,25(17,6)7)24(38-16(5)32)23(26)37-15(4)31/h17-18,20-24,33H,1,10-11H2,2-9H3/t17-,18-,20-,21-,22+,23-,24-,26+,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C28H38O11,pos_1_1proton1ethylamine,550.2414120359998,OYGYAJRTYGLJDV,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 9442,6266,-1,,,,0.0,MS1_match,OYGYAJRTYGLJDV-GMZLKGLPSA-N,"InChI=1S/C28H38O11/c1-12-18(33)11-20(35-13(2)29)26(8)21(12)22(36-14(3)30)17-10-19(34)27(9)28(39-27,25(17,6)7)24(38-16(5)32)23(26)37-15(4)31/h17-18,20-24,33H,1,10-11H2,2-9H3/t17-,18-,20-,21-,22+,23-,24-,26+,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C28H38O11,pos_1_1proton1ethylamine,550.2414120359998,OYGYAJRTYGLJDV,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,0,6.0 9443,6266,-1,,,,0.0,MS1_match,OYGYAJRTYGLJDV-UHFFFAOYSA-N,"InChI=1S/C28H38O11/c1-12-18(33)11-20(35-13(2)29)26(8)21(12)22(36-14(3)30)17-10-19(34)27(9)28(39-27,25(17,6)7)24(38-16(5)32)23(26)37-15(4)31/h17-18,20-24,33H,1,10-11H2,2-9H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C28H38O11,pos_1_1proton1ethylamine,550.241412036,OYGYAJRTYGLJDV,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus wallichiana var. wallichiana,1043652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 9444,6266,-1,,,,0.0,MS1_match,OYGYAJRTYGLJDV-GMZLKGLPSA-N,"InChI=1S/C28H38O11/c1-12-18(33)11-20(35-13(2)29)26(8)21(12)22(36-14(3)30)17-10-19(34)27(9)28(39-27,25(17,6)7)24(38-16(5)32)23(26)37-15(4)31/h17-18,20-24,33H,1,10-11H2,2-9H3/t17-,18-,20-,21-,22+,23-,24-,26+,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C28H38O11,pos_1_1proton1ethylamine,550.2414120359998,OYGYAJRTYGLJDV,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 9445,6266,-1,,,,0.0,MS1_match,OYGYAJRTYGLJDV-GMZLKGLPSA-N,"InChI=1S/C28H38O11/c1-12-18(33)11-20(35-13(2)29)26(8)21(12)22(36-14(3)30)17-10-19(34)27(9)28(39-27,25(17,6)7)24(38-16(5)32)23(26)37-15(4)31/h17-18,20-24,33H,1,10-11H2,2-9H3/t17-,18-,20-,21-,22+,23-,24-,26+,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C28H38O11,pos_1_1proton1ethylamine,550.2414120359998,OYGYAJRTYGLJDV,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,0,6.0 9446,6266,-1,,,,0.0,MS1_match,OYGYAJRTYGLJDV-UHFFFAOYSA-N,"InChI=1S/C28H38O11/c1-12-18(33)11-20(35-13(2)29)26(8)21(12)22(36-14(3)30)17-10-19(34)27(9)28(39-27,25(17,6)7)24(38-16(5)32)23(26)37-15(4)31/h17-18,20-24,33H,1,10-11H2,2-9H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C28H38O11,pos_1_1proton1ethylamine,550.241412036,OYGYAJRTYGLJDV,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus wallichiana var. wallichiana,1043652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 9447,6266,-1,,,,0.0,MS1_match,UZEBASPSBSCZFF-MRCYPWOESA-N,"InChI=1S/C28H38O11/c1-13-21(33)11-22(34)19(12-36-15(3)29)9-23(35)20-10-24(37-16(4)30)14(2)25(28(20,7)8)27(39-18(6)32)26(13)38-17(5)31/h9,20-21,23-24,27,33,35H,10-12H2,1-8H3/b19-9-,26-13+/t20-,21+,23-,24-,27+/m0/s1",CC(=O)OC/C1=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@H](O)CC1=O)C2(C)C,C28H38O11,pos_1_1proton1ethylamine,550.241412036,UZEBASPSBSCZFF,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 9448,6266,-1,,,,0.0,MS1_match,UZEBASPSBSCZFF-MRCYPWOESA-N,"InChI=1S/C28H38O11/c1-13-21(33)11-22(34)19(12-36-15(3)29)9-23(35)20-10-24(37-16(4)30)14(2)25(28(20,7)8)27(39-18(6)32)26(13)38-17(5)31/h9,20-21,23-24,27,33,35H,10-12H2,1-8H3/b19-9-,26-13+/t20-,21+,23-,24-,27+/m0/s1",CC(=O)OC/C1=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@H](O)CC1=O)C2(C)C,C28H38O11,pos_1_1proton1ethylamine,550.241412036,UZEBASPSBSCZFF,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,6.0 9449,6266,-1,,,,0.0,MS1_match,NTRHFSRAAXRZLC-FJANQRQLSA-N,"InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C30H42O11,pos_1_1proton1ammonium,578.2727121639999,NTRHFSRAAXRZLC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,0,6.0 9450,6266,-1,,,,0.0,MS1_match,NTRHFSRAAXRZLC-FJANQRQLSA-N,"InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C30H42O11,pos_1_1proton1ammonium,578.2727121639999,NTRHFSRAAXRZLC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 9451,6266,-1,,,,0.0,MS1_match,NTRHFSRAAXRZLC-FJANQRQLSA-N,"InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C30H42O11,pos_1_1proton1ammonium,578.2727121639999,NTRHFSRAAXRZLC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 9452,6266,-1,,,,0.0,MS1_match,JKTMDTDVVTZUPC-BYMXLENQSA-N,"InChI=1S/C30H42O11/c1-14-21-12-30(28(8,9)36)13-23(38-17(4)32)15(2)25(30)26(40-19(6)34)27(41-20(7)35)29(21,10)24(39-18(5)33)11-22(14)37-16(3)31/h21-24,26-27,36H,1,11-13H2,2-10H3/t21-,22+,23+,24+,26-,27+,29+,30+/m1/s1",C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O,C30H42O11,pos_1_1proton1ammonium,578.272712164,JKTMDTDVVTZUPC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 9453,6265,-1,,,,0.0,MS1_match,VGJMSQCITPKNFM-ZJPYXAASSA-N,"InChI=1S/C19H30O6/c1-7-18(6)9-8-15(17(22)16(18)12(2)3)19(23,10-24-13(4)20)11-25-14(5)21/h7,15-17,22-23H,1-2,8-11H2,3-6H3/t15-,16-,17+,18-/m1/s1",C=C[C@]1(C)CC[C@@H](C(O)(COC(C)=O)COC(C)=O)[C@H](O)[C@H]1C(=C)C,C19H30O6,pos_1_1potassium,354.20423868,VGJMSQCITPKNFM,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9454,6264,-1,,,,0.0,MS1_match,REWKPSYPXPCBCQ-VDDMMWHUSA-N,"InChI=1S/C28H38O9/c1-13-20(33)12-19-24(35-16(4)30)23-14(2)21(34-15(3)29)10-11-28(23,9)26(37-18(6)32)25(36-17(5)31)22(13)27(19,7)8/h19,21,23-26H,2,10-12H2,1,3-9H3/t19-,21-,23-,24+,25+,26-,28+/m0/s1",C=C1[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C28H38O9,pos_1_1proton,518.251582796,REWKPSYPXPCBCQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 9455,6264,-1,,,,0.0,MS1_match,JNFYHGDAJJBXAT-PMAAGCSJSA-N,"InChI=1S/C28H38O9/c1-13-20(33)12-19-22(35-16(4)30)28-14(2)21(34-15(3)29)10-11-26(28,9)23(36-17(5)31)24(37-18(6)32)27(13,28)25(19,7)8/h13,19,21-24H,2,10-12H2,1,3-9H3/t13-,19+,21+,22-,23+,24+,26+,27-,28-/m1/s1",C=C1[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@]132)C4(C)C,C28H38O9,pos_1_1proton,518.251582796,JNFYHGDAJJBXAT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 9456,6263,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BQSTWVNVLQVIEE-NTUHNPAUSA-N,"InChI=1S/C18H22O3/c1-12(2)5-4-6-13(3)7-8-14-9-16(19)10-15-11-17(20)21-18(14)15/h5,7,9-10,19H,4,6,8,11H2,1-3H3/b13-7+",CC(C)=CCC/C(C)=C/Cc1cc(O)cc2c1OC(=O)C2,C18H22O3,pos_1_1proton1methanol,286.156894564,BQSTWVNVLQVIEE,Terpenoids,Meroterpenoids,Miscellaneous meroterpenoids,Magnolia denudata,881612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia denudata'],7,1,7.5 9457,6262,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.3317748,ISDB,,,,,,,IMMFKHKTZMTRFR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3270992040634155 9458,6261,-1,,,,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,0,7.0 9459,6261,-1,,,,0.0,MS1_match,YGYNBBAUIYTWBF-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",Cc1ccc2cc(C)ccc2c1,C12H12,pos_1_1proton,156.093900384,YGYNBBAUIYTWBF,,,,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,0,7.0 9460,6258,-1,,,,0.8747512,ISDB,IKMGOIWAYGIDQL-KKOKHZNYSA-N,"InChI=1S/C14H22N4O2/c1-2-4-11-18-12-9(6-8-17(12)13(15)20-11)10-5-3-7-16(10)14(18)19/h9-12,15H,2-8H2,1H3/t9-,10-,11-,12+/m1/s1",CCC[C@H]1OC(=N)N2CC[C@@H]3[C@H]4CCCN4C(=O)N1[C@@H]32,C14H22N4O2,,278.174275944,IKMGOIWAYGIDQL,Alkaloids,Lysine alkaloids,,Fissistigma oldhamii,559685.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Fissistigma'],['Fissistigma oldhamii'],3,0,6.49900484085083 9461,6257,-1,,,,0.46489036,ISDB,ZKGCXEGVGZLKCO-NJZAAPMLSA-N,"InChI=1S/C15H20O3/c1-9-6-12(18-8-9)7-11(3)13-5-4-10(2)14(16)15(13)17/h4,6,8,11,13,15,17H,5,7H2,1-3H3/t11-,13+,15+/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)[C@@H](O)C1=O,C15H20O3,,248.1412445,ZKGCXEGVGZLKCO,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,7.859561443328857 9462,6256,1806,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.72872674,ISDB,KIZXBPVAPQXAMH-UHFFFAOYSA-N,"InChI=1S/C14H18O/c1-9(2)11-6-7-14(15)12-5-4-10(3)8-13(11)12/h4-5,8-9,11H,6-7H2,1-3H3",Cc1ccc2c(c1)C(C(C)C)CCC2=O,C14H18O,,202.135765196,KIZXBPVAPQXAMH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],3,3,7.414906978607178 9463,6255,491,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.57904357,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,2,10.316174268722534 9464,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,1,6.5 9465,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,C40H56,pos_2_2proton,536.438201792,OENHQHLEOONYIE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 9466,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea torano,1091066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea torano'],6,1,6.5 9467,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 9468,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 9469,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 9470,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 9471,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_2MH,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 9472,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,HRQKOYFGHJYEFS-BXOLYSJBSA-N,"InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+",CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,HRQKOYFGHJYEFS,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Ψ)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 9473,6253,170,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,ANVAOWXLWRTKGA-NTXLUARGSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,C40H56,pos_2_2proton,536.438201792,ANVAOWXLWRTKGA,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 9474,6252,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.48281333,ISDB,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.43125331401825 9475,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Parthenium ligulatum,3899797.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium ligulatum'],4,3,8.81892442703247 9476,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picradeniopsis xylopoda,7051483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Picradeniopsis'],['Picradeniopsis xylopoda'],4,3,8.81892442703247 9477,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tanacetum parthenium,488828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum parthenium'],4,3,8.81892442703247 9478,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Artemisia lindleyana,62846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia lindleyana'],4,3,8.81892442703247 9479,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Artemisia ludoviciana,202533.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia ludoviciana'],4,3,8.81892442703247 9480,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Artemisia frigida,338841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia frigida'],4,3,8.81892442703247 9481,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,3,8.81892442703247 9482,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Gardenia oudiepe,3877754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia oudiepe'],4,3,8.81892442703247 9483,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Baccharis salicina,5794728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicina'],4,3,8.81892442703247 9484,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picradeniopsis schaffneri,3899605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Picradeniopsis'],['Picradeniopsis schaffneri'],4,3,8.81892442703247 9485,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picradeniopsis oppositifolia,969316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Picradeniopsis'],['Picradeniopsis oppositifolia'],4,3,8.81892442703247 9486,6251,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297311,ISDB,SDTFURCSGWUESP-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC,C19H18O8,,374.1001675359999,SDTFURCSGWUESP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Perityle vaseyi,3899739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Perityleae'],['Perityle'],['Perityle vaseyi'],4,3,8.81892442703247 9487,6249,-1,,,,0.6605702,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,5.64228081703186 9488,6248,-1,,,,0.0,MS1_match,WTDHMFBJQJSTMH-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H",O=c1cc(-c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton,538.0899967759999,WTDHMFBJQJSTMH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9489,6248,-1,,,,0.0,MS1_match,LADPNODMUXOPRG-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H",O=c1cc(-c2ccc(O)cc2)oc2c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc(O)c12,C30H18O10,pos_1_1proton,538.089996776,LADPNODMUXOPRG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9490,6248,-1,,,,0.0,MS1_match,WTDHMFBJQJSTMH-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H",O=c1cc(-c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton,538.0899967759999,WTDHMFBJQJSTMH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9491,6248,-1,,,,0.0,MS1_match,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton,538.089996776,YUSWMAULDXZHPY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9492,6248,-1,,,,0.0,MS1_match,LADPNODMUXOPRG-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H",O=c1cc(-c2ccc(O)cc2)oc2c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc(O)c12,C30H18O10,pos_1_1proton,538.089996776,LADPNODMUXOPRG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9493,6248,-1,,,,0.0,MS1_match,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton,538.089996776,YUSWMAULDXZHPY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9494,6247,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3738715,ISDB,HFSSPWORJAEDTD-HFHVRODDSA-N,"InChI=1S/C35H56O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h8-9,17,19-21,23-26,28-33,36,38-40H,7,10-16,18H2,1-6H3/b9-8+/t20-,21-,23+,24-,25+,26+,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H56O7,,588.402604132,HFSSPWORJAEDTD,Terpenoids,Steroids,Stigmastane steroids,Pontederia africana,7586470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Pontederiaceae'],['Unknown'],['Pontederia'],['Pontederia africana'],4,1,5.99548602104187 9495,6247,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3738715,ISDB,HFSSPWORJAEDTD-HFHVRODDSA-N,"InChI=1S/C35H56O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h8-9,17,19-21,23-26,28-33,36,38-40H,7,10-16,18H2,1-6H3/b9-8+/t20-,21-,23+,24-,25+,26+,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H56O7,,588.402604132,HFSSPWORJAEDTD,Terpenoids,Steroids,Stigmastane steroids,Monochoria africana,3945887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Pontederiaceae'],['Unknown'],['Monochoria'],['Monochoria africana'],4,1,5.99548602104187 9496,6247,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3738715,ISDB,HFSSPWORJAEDTD-HFHVRODDSA-N,"InChI=1S/C35H56O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h8-9,17,19-21,23-26,28-33,36,38-40H,7,10-16,18H2,1-6H3/b9-8+/t20-,21-,23+,24-,25+,26+,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H56O7,,588.402604132,HFSSPWORJAEDTD,Terpenoids,Steroids,Stigmastane steroids,Monochoria vaginalis,775192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Pontederiaceae'],['Unknown'],['Monochoria'],['Monochoria vaginalis'],4,1,5.99548602104187 9497,6246,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9498,6246,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9499,6246,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9500,6246,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9501,6246,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9502,6244,1594,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.70062375,ISDB,MWKLDMFBNRCDPE-KZZRWZIVSA-N,"InChI=1S/C12H18/c1-11-4-2-3-5-12(11)9-6-8(11)7-10(9)12/h8-10H,2-7H2,1H3/t8-,9+,10-,11-,12+/m0/s1",C[C@@]12CCCC[C@]13[C@@H]1C[C@H]2C[C@@H]13,C12H18,,162.140850576,MWKLDMFBNRCDPE,Terpenoids,Sesquiterpenoids,,Santalum album,1028931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Santalaceae'],['Unknown'],['Santalum'],['Santalum album'],4,2,7.802495002746582 9503,6242,98,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.42191368,ISDB,HFOYBPKZZDOLDW-NEUQYWNHSA-N,"InChI=1S/C24H36O7/c1-5-6-11-30-20-22-14-8-7-13-12(2)17(26)23(14,18(13)27)24(29,31-20)19(28)16(22)21(3,4)10-9-15(22)25/h13-16,18-20,25,27-29H,2,5-11H2,1,3-4H3/t13-,14-,15-,16+,18+,19-,20-,22-,23-,24-/m0/s1",C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12[C@@H](OCCCC)O[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O,C24H36O7,,436.246103492,HFOYBPKZZDOLDW,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon rosthornii,1017559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rosthornii'],3,3,6.187654733657837 9504,6241,-1,,,,0.45389962,ISDB,FCGQQGKCBHGUPU-KXPOPUKOSA-N,"InChI=1S/C34H42O14/c1-8-18(2)28(37)45-24-14-32(7,40)34-26(44-20(4)36)23(31(5,6)48-34)13-25(46-29(38)21-9-11-41-15-21)33(34,17-43-19(3)35)27(24)47-30(39)22-10-12-42-16-22/h9-12,15-16,18,23-27,40H,8,13-14,17H2,1-7H3/t18-,23-,24+,25+,26-,27+,32+,33-,34+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]2(COC(C)=O)[C@H]1OC(=O)c1ccoc1)[C@H]3OC(C)=O,C34H42O14,,674.257456024,FCGQQGKCBHGUPU,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Euonymus hamiltonianus,174310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Euonymus'],['Euonymus hamiltonianus'],4,0,5.815598487854004 9505,6240,-1,,,,0.0,MS1_match,ZGLXUQQMLLIKAN-SVIJTADQSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC,C22H22O7,pos_2MNa,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9506,6240,-1,,,,0.0,MS1_match,ZGLXUQQMLLIKAN-SVIJTADQSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC,C22H22O7,pos_2MNa,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9507,6239,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.42194209,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,6.187768340110779 9508,6238,-1,,,,0.0,MS1_match,COLNVLDHVKWLRT-MRVPVSSYSA-N,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",N[C@H](Cc1ccccc1)C(=O)O,C9H11NO2,pos_2MCa,165.078978592,COLNVLDHVKWLRT,Amino acids and Peptides,Small peptides,Aminoacids,Juniperus occidentalis,335572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus occidentalis'],6,0,6.0 9509,6238,-1,,,,0.0,MS1_match,COLNVLDHVKWLRT-MRVPVSSYSA-N,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",N[C@H](Cc1ccccc1)C(=O)O,C9H11NO2,pos_2MCa,165.078978592,COLNVLDHVKWLRT,Amino acids and Peptides,Small peptides,Aminoacids,Juniperus scopulorum,287287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus scopulorum'],6,0,6.0 9510,6238,-1,,,,0.0,MS1_match,XWKAVQKJQBISOL-ZETCQYMHSA-N,"InChI=1S/C9H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1",C[C@H](Nc1ccccc1)C(=O)O,C9H11NO2,pos_2MCa,165.078978592,XWKAVQKJQBISOL,Amino acids and Peptides,Small peptides,Aminoacids,Juniperus occidentalis,335572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus occidentalis'],6,0,6.0 9511,6238,-1,,,,0.0,MS1_match,XWKAVQKJQBISOL-ZETCQYMHSA-N,"InChI=1S/C9H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1",C[C@H](Nc1ccccc1)C(=O)O,C9H11NO2,pos_2MCa,165.078978592,XWKAVQKJQBISOL,Amino acids and Peptides,Small peptides,Aminoacids,Juniperus scopulorum,287287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus scopulorum'],6,0,6.0 9512,6236,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,pos_1_1proton1methanol,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9513,6236,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,QYYVJMYMRMHFOG-CYBVICEPSA-N,"InChI=1S/C33H50N2O2/c1-22(35(6)7)25-16-19-32(5)26-13-14-27-30(2,3)28(34-29(36)23-11-9-8-10-12-23)17-20-33(27,37)21-24(26)15-18-31(25,32)4/h8-12,15,22,25-28,37H,13-14,16-21H2,1-7H3,(H,34,36)/t22-,25+,26+,27-,28-,31+,32-,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@]4(O)CC3=CC[C@]12C)N(C)C,C33H50N2O2,pos_1_1proton1methanol,506.38722884,QYYVJMYMRMHFOG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9514,6234,-1,,,,0.0,MS1_match,ZGLXUQQMLLIKAN-QTJFZDIUSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19-,20+/m0/s1",COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC,C22H22O7,pos_1_1sodium,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9515,6234,-1,,,,0.0,MS1_match,ZGLXUQQMLLIKAN-SVIJTADQSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC,C22H22O7,pos_1_1sodium,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9516,6234,-1,,,,0.0,MS1_match,ZGLXUQQMLLIKAN-SVIJTADQSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1",COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC,C22H22O7,pos_1_1sodium,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 9517,6234,-1,,,,0.0,MS1_match,ZGLXUQQMLLIKAN-QTJFZDIUSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19-,20+/m0/s1",COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC,C22H22O7,pos_1_1sodium,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 9518,6233,712,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,ZITBJWXLODLDRH-XOBRGWDASA-N,"InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m0/s1",COc1cc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O,C20H22O7,pos_1_1proton1acetonitrile,374.1365530439999,ZITBJWXLODLDRH,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,8.5 9519,6233,712,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,ZITBJWXLODLDRH-XOBRGWDASA-N,"InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m0/s1",COc1cc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O,C20H22O7,pos_1_1proton1acetonitrile,374.1365530439999,ZITBJWXLODLDRH,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,8.5 9520,6231,3311,Terpenoids,Coumarins,Isocoumarins,0.45844623,ISDB,BUZQIMYNOWPYHH-UHFFFAOYSA-N,"InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3",COc1c2ccoc2cc2cc(C)oc(=O)c12,C13H10O4,,230.0579088,BUZQIMYNOWPYHH,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Coriandrum sativum,2476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Coriandreae'],['Coriandrum'],['Coriandrum sativum'],3,3,6.3337849378585815 9521,6225,1875,Terpenoids,Diterpenoids,Androstane steroids,0.7423496,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,3,7.469398498535156 9522,6224,2245,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.20834535,ISDB,JXHQWTYFUSHCGX-FBUUFYRDSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/b13-6+/t14-,15+,18+,19+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1C/C=C(\C)C(=O)O,C19H28O4,,320.19875937599994,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Cunninghamia lanceolata,760790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cunninghamia'],['Cunninghamia lanceolata'],5,3,7.333381414413452 9523,6222,-1,,,,0.27230647,ISDB,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,7.089225888252258 9524,6221,-1,,,,0.6007265,ISDB,PCLDEDSUWNZZDJ-WAKWZFOWSA-N,"InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16-,17-,19+,20+/m0/s1",C=C1CC[C@H]2[C@](C)(CC[C@H]3C[C@]32C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O2,,302.2245802,PCLDEDSUWNZZDJ,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,8.402905941009521 9525,6220,-1,,,,0.54412836,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.176513433456421 9526,6220,-1,,,,0.54412836,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],5,0,7.176513433456421 9527,6219,-1,,,,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 9528,6219,-1,,,,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 9529,6218,376,Terpenoids,Diterpenoids,Labdane diterpenoids,0.28039616,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.62158465385437 9530,6217,916,Terpenoids,Sesquiterpenoids,Cardenolides,0.597958,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,2,6.391832113265991 9531,6215,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5096435,ISDB,ADZYDUJXHKLXCN-IQFAIPDSSA-N,"InChI=1S/C26H32O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-17,19-20,27H,6,10,12H2,1-5H3/t15-,16+,17-,19-,20-,23-,24+,25+,26-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]3(C)[C@H](O)C[C@@H]12,C26H32O7,,456.214803364,ADZYDUJXHKLXCN,Terpenoids,Triterpenoids,Limonoids,Toona sinensis,358929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Toona'],['Toona sinensis'],3,1,5.538573980331421 9532,6215,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5096435,ISDB,ADZYDUJXHKLXCN-IQFAIPDSSA-N,"InChI=1S/C26H32O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-17,19-20,27H,6,10,12H2,1-5H3/t15-,16+,17-,19-,20-,23-,24+,25+,26-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]3(C)[C@H](O)C[C@@H]12,C26H32O7,,456.214803364,ADZYDUJXHKLXCN,Terpenoids,Triterpenoids,Limonoids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],3,1,5.538573980331421 9533,6214,-1,,,,0.7031031,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.81241250038147 9534,6213,2052,Terpenoids,Triterpenoids,Limonoids,0.4745469,ISDB,ZFIURKZEANVFML-UHFFFAOYSA-N,"InChI=1S/C26H32O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-17,19-20,27H,5,7,9-10,12H2,1-4H3",CC1(C)OC2CC(=O)OCC23C1CC(O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,C26H32O8,,472.209717984,ZFIURKZEANVFML,Terpenoids,Triterpenoids,Limonoids,Citrus medica var. sarcodactylis,321680.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus medica'],3,3,6.398187637329102 9535,6213,2052,Terpenoids,Triterpenoids,Limonoids,0.4745469,ISDB,ZFIURKZEANVFML-UHFFFAOYSA-N,"InChI=1S/C26H32O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-17,19-20,27H,5,7,9-10,12H2,1-4H3",CC1(C)OC2CC(=O)OCC23C1CC(O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,C26H32O8,,472.209717984,ZFIURKZEANVFML,Terpenoids,Triterpenoids,Limonoids,Citrus paradisi,3942423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus aurantium'],3,3,6.398187637329102 9536,6213,2052,Terpenoids,Triterpenoids,Limonoids,0.4745469,ISDB,ZFIURKZEANVFML-UHFFFAOYSA-N,"InChI=1S/C26H32O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-17,19-20,27H,5,7,9-10,12H2,1-4H3",CC1(C)OC2CC(=O)OCC23C1CC(O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,C26H32O8,,472.209717984,ZFIURKZEANVFML,Terpenoids,Triterpenoids,Limonoids,Citrus medica,798604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Citrus'],['Citrus medica'],3,3,6.398187637329102 9537,6212,1671,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.51258475,ISDB,WGBFUAXUABTOMO-UHFFFAOYSA-N,"InChI=1S/C17H26O3/c1-13(2)11-17(19)12-15(4)8-6-7-14(3)9-10-20-16(5)18/h8-9,11H,6-7,10,12H2,1-5H3",CC(=O)OCC=C(C)CCC=C(C)CC(=O)C=C(C)C,C17H26O3,,278.188194692,WGBFUAXUABTOMO,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,3,9.550338983535767 9538,6211,-1,,,,0.40972546,ISDB,NVNFXDJNNBHVGI-PKOBYXMFSA-N,"InChI=1S/C19H26O3/c1-5-13-9-14(11-20)15(10-16(13)22)19(4)8-6-7-18(2,3)17(19)12-21/h9-12,17,22H,5-8H2,1-4H3/t17-,19+/m0/s1",CCc1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O,C19H26O3,,302.188194692,NVNFXDJNNBHVGI,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Chamaecyparis obtusa var. formosana,800336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],5,0,6.6389018297195435 9539,6211,-1,,,,0.40972546,ISDB,NVNFXDJNNBHVGI-PKOBYXMFSA-N,"InChI=1S/C19H26O3/c1-5-13-9-14(11-20)15(10-16(13)22)19(4)8-6-7-18(2,3)17(19)12-21/h9-12,17,22H,5-8H2,1-4H3/t17-,19+/m0/s1",CCc1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O,C19H26O3,,302.188194692,NVNFXDJNNBHVGI,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,0,6.6389018297195435 9540,6211,-1,,,,0.40972546,ISDB,NVNFXDJNNBHVGI-PKOBYXMFSA-N,"InChI=1S/C19H26O3/c1-5-13-9-14(11-20)15(10-16(13)22)19(4)8-6-7-18(2,3)17(19)12-21/h9-12,17,22H,5-8H2,1-4H3/t17-,19+/m0/s1",CCc1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O,C19H26O3,,302.188194692,NVNFXDJNNBHVGI,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],5,0,6.6389018297195435 9541,6210,-1,,,,0.0,MS1_match,UHOHMRLFYQIKRL-UUAJXVIYSA-N,"InChI=1S/C17H28O4/c1-7-16(5)9-8-13(15(20)14(16)11(2)3)17(6,10-18)21-12(4)19/h7,13-15,18,20H,1-2,8-10H2,3-6H3/t13-,14-,15+,16-,17+/m1/s1",C=C[C@]1(C)CC[C@@H]([C@](C)(CO)OC(C)=O)[C@H](O)[C@H]1C(=C)C,C17H28O4,pos_1_1sodium,296.198759376,UHOHMRLFYQIKRL,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Magnolia kachirachirai,843602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kachirachirai'],7,0,7.0 9542,6210,-1,,,,0.0,MS1_match,RTFVWCRRSNVOBR-LZGGXURUSA-N,"InChI=1S/C17H28O4/c1-13-6-5-10-16(3,19)11-9-15(8-7-13)17(4,20)12-21-14(2)18/h6,9,11,15,19-20H,5,7-8,10,12H2,1-4H3/b11-9+,13-6+/t15-,16+,17-/m1/s1",CC(=O)OC[C@@](C)(O)[C@H]1/C=C/[C@@](C)(O)CC/C=C(\C)CC1,C17H28O4,pos_1_1sodium,296.198759376,RTFVWCRRSNVOBR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 9543,6209,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5113388,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,10.545355081558228 9544,6208,452,Terpenoids,Steroids,Steroidal alkaloids,0.47603184,ISDB,PAYBPGDQZXJNMH-MYKLHEQQSA-N,"InChI=1S/C34H48N2O3/c1-21(35-7)30-28(39-22(2)37)20-34(6)27-15-14-26-24(19-25(27)17-18-33(30,34)5)13-16-29(32(26,3)4)36-31(38)23-11-9-8-10-12-23/h8-12,17,19,21,26-30,35H,13-16,18,20H2,1-7H3,(H,36,38)/t21-,26+,27+,28+,29-,30-,33+,34-/m0/s1",CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C34H48N2O3,,532.366493396,PAYBPGDQZXJNMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,10.404127359390259 9545,6206,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.24368498,ISDB,NESMADWTULLJTN-ZEUFLQAFSA-N,"InChI=1S/C40H52O/c1-29(17-13-19-31(3)21-24-37-25-23-33(5)35(7)36(37)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-34(6)27-38(41)28-40(39,9)10/h11-26,38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t38-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2ccc(C)c(C)c2C)C(C)(C)C[C@H](O)C1,C40H52O,,548.401816284,NESMADWTULLJTN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Χ)",Acanthella vulgata,2835260.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Acanthella'],['Acanthella vulgata'],1,1,2.474739909172058 9546,6205,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.60797334,ISDB,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.931893348693848 9547,6204,-1,,,,0.0,MS1_match,LGPUIKWJKFIAIH-LJKDYDQHSA-N,"InChI=1S/C26H30N2O12/c27-9-15(13-5-2-1-3-6-13)38-26-23(34)21(32)19(30)17(40-26)12-37-25-22(33)20(31)18(29)16(39-25)11-36-24(35)14-7-4-8-28-10-14/h1-8,10,15-23,25-26,29-34H,11-12H2/t15-,16+,17+,18+,19+,20-,21-,22+,23+,25+,26+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C26H30N2O12,pos_2_1calcium,562.1798743999999,LGPUIKWJKFIAIH,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 9548,6203,916,Terpenoids,Sesquiterpenoids,Cardenolides,0.59724134,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.888965368270874 9549,6202,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6601592,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,10.140636682510376 9550,6201,2414,Terpenoids,Steroids,Steroidal alkaloids,0.33219063,ISDB,BWTGOLYEGGOWMU-KFDGPNQLSA-N,"InChI=1S/C31H52N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h12,18,20,22-25,27-28H,10-11,13-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,27-,28-,30-,31+/m0/s1",C/C(=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1)C(C)C,C31H52N2O,,468.407964284,BWTGOLYEGGOWMU,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,8.328762531280518 9551,6200,923,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BJBUTJQYZDYRMJ-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1,C17H14O6,pos_1_1proton,314.07903816799995,BJBUTJQYZDYRMJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus crispa,791101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus alnobetula'],7,3,8.5 9552,6200,923,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZBAXKKOXPLOBX-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3",COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1,C17H14O6,pos_1_1proton,314.07903816799995,KZBAXKKOXPLOBX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,3,8.5 9553,6198,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 9554,6194,-1,,,,0.0,MS1_match,KZBAXKKOXPLOBX-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3",COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1,C17H14O6,pos_1_1sodium,314.07903816799995,KZBAXKKOXPLOBX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 9555,6193,-1,,,,0.44871923,ISDB,ZNHPQEDTLCHPAZ-JDEACCKASA-N,"InChI=1S/C37H58O9/c1-21(39)45-29-28(41)24(40)19-44-30(29)46-27-11-12-33(4)25(34(27,5)20-38)10-13-36(7)26(33)9-8-22-23-18-32(2,3)14-16-37(23,31(42)43)17-15-35(22,36)6/h8,23-30,38,40-41H,9-20H2,1-7H3,(H,42,43)/t23-,24-,25+,26+,27-,28-,29+,30-,33-,34-,35+,36+,37-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@H](O)[C@@H]1O,C37H58O9,,646.4080834360001,ZNHPQEDTLCHPAZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus polyphyllus,69050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus polyphyllus'],4,0,5.794876933097839 9556,6193,-1,,,,0.44871923,ISDB,ZNHPQEDTLCHPAZ-JDEACCKASA-N,"InChI=1S/C37H58O9/c1-21(39)45-29-28(41)24(40)19-44-30(29)46-27-11-12-33(4)25(34(27,5)20-38)10-13-36(7)26(33)9-8-22-23-18-32(2,3)14-16-37(23,31(42)43)17-15-35(22,36)6/h8,23-30,38,40-41H,9-20H2,1-7H3,(H,42,43)/t23-,24-,25+,26+,27-,28-,29+,30-,33-,34-,35+,36+,37-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@H](O)[C@@H]1O,C37H58O9,,646.4080834360001,ZNHPQEDTLCHPAZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus lawii,759796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus lawii'],4,0,5.794876933097839 9557,6192,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton1methanol,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,8.0 9558,6192,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton1methanol,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,8.0 9559,6190,378,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6915822,ISDB,OFNCLOVZELBDAP-DOTOQJQBSA-N,"InChI=1S/C17H24O/c1-16(2)9-4-10-17(3)14-7-6-13(18)11-12(14)5-8-15(16)17/h6-7,11,15,18H,4-5,8-10H2,1-3H3/t15-,17+/m0/s1",CC1(C)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H24O,,244.182715388,OFNCLOVZELBDAP,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],3,3,7.266328811645508 9560,6189,-1,,,,0.0,MS1_match,BWDCJRUCCWZCIY-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3",CC=Cc1ccc(OC)c(OC)c1OC,C12H16O3,pos_2MNa,208.109944372,BWDCJRUCCWZCIY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,0,7.0 9561,6188,-1,,,,0.7759189,ISDB,XWYXUMDVQIOAPR-UWVGGRQHSA-N,"InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O,C12H22N2O2,,226.168127944,XWYXUMDVQIOAPR,Amino acids and Peptides,Small peptides,Dipeptides,Kandelia candel,973786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Kandelia'],['Kandelia candel'],3,0,6.103675603866577 9562,6186,-1,,,,0.53086007,ISDB,PFAGNKVPEVROSU-WMZOPIPTSA-N,"InChI=1S/C20H22O5/c1-20(2)18(23)10-13-17(25-20)8-5-11-4-7-16(24-19(11)13)12-3-6-14(21)15(22)9-12/h3,5-6,8-9,16,18,21-23H,4,7,10H2,1-2H3/t16-,18-/m0/s1",CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)CC3,C20H22O5,,342.146723804,PFAGNKVPEVROSU,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Brosimum acutifolium,5749154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Brosimum'],['Brosimum acutifolium'],5,0,7.123440265655518 9563,6185,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.59699047,ISDB,OLFMGIZTWHFEJC-HQNLPALYSA-N,"InChI=1S/C31H50O4/c1-26-14-15-27(2,25(34)35-7)18-21(26)20-8-9-23-28(3)12-11-24(33)29(4,19-32)22(28)10-13-31(23,6)30(20,5)17-16-26/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22+,23+,24-,26+,27+,28-,29+,30+,31+/m0/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C31H50O4,,486.37091008,OLFMGIZTWHFEJC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Vigna angularis,1065959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna angularis'],4,0,6.3879618644714355 9564,6184,-1,,,,0.2802736,ISDB,RGIBXDHONMXTLI-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2",C=CCc1ccc(O)cc1,C9H10O,,134.07316494,RGIBXDHONMXTLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,6.121094346046448 9565,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,0,7.618483781814575 9566,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,0,7.618483781814575 9567,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,0,7.618483781814575 9568,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,0,7.618483781814575 9569,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,0,7.618483781814575 9570,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,0,7.618483781814575 9571,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,0,7.618483781814575 9572,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,0,7.618483781814575 9573,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,0,7.618483781814575 9574,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,0,7.618483781814575 9575,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,0,7.618483781814575 9576,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,0,7.618483781814575 9577,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,0,7.618483781814575 9578,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,0,7.618483781814575 9579,6183,-1,,,,0.90462095,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,0,7.618483781814575 9580,6182,1103,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.41042876,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,6.141715049743652 9581,6179,92,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31378105,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,8.75512421131134 9582,6179,92,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31378105,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,8.75512421131134 9583,6179,92,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31378105,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,8.75512421131134 9584,6179,92,Terpenoids,Diterpenoids,Abietane diterpenoids,0.31378105,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,8.75512421131134 9585,6178,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KQFUXLQBMQGNRT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1,C18H16O7,pos_1_1proton,344.0896028519999,KQFUXLQBMQGNRT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],6,3,7.5 9586,6178,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KPCRYSMUMBNTCK-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(O)c3)oc2c1,C18H16O7,pos_1_1proton,344.089602852,KPCRYSMUMBNTCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus crispa,791101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus alnobetula'],6,3,7.5 9587,6178,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,3,7.5 9588,6178,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 9589,6178,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,3,7.5 9590,6178,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 9591,6177,-1,,,,0.0,MS1_match,VVMABQZMSXOGOO-ARASHVSRSA-N,"InChI=1S/C33H42O7/c1-19-25-17-24-18-27(38-21(3)34)20(2)29(32(24,5)6)30(39-22(4)35)31(37)33(25,7)16-15-26(19)40-28(36)14-13-23-11-9-8-10-12-23/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C,C33H42O7,pos_1_1proton1ethylamine,550.2930536839999,VVMABQZMSXOGOO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 9592,6177,-1,,,,0.0,MS1_match,GJHAFDSYCIJBTO-ARASHVSRSA-N,"InChI=1S/C33H42O7/c1-19-25-17-24-18-27(39-22(4)35)20(2)29(32(24,5)6)30(37)31(33(25,7)16-15-26(19)38-21(3)34)40-28(36)14-13-23-11-9-8-10-12-23/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s1",C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](O)[C@@H]2OC(=O)/C=C/c2ccccc2)C1(C)C,C33H42O7,pos_1_1proton1ethylamine,550.293053684,GJHAFDSYCIJBTO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 9593,6177,-1,,,,0.0,MS1_match,OIDROLNPPXXFPD-UHFFFAOYSA-N,"InChI=1S/C33H42O7/c1-19-25-17-24-18-27(39-22(4)35)20(2)29(32(24,5)6)30(40-28(36)14-13-23-11-9-8-10-12-23)31(37)33(25,7)16-15-26(19)38-21(3)34/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3",C=C1C(OC(C)=O)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(=O)C=Cc3ccccc3)C2O)C1(C)C,C33H42O7,pos_1_1proton1ethylamine,550.2930536839999,OIDROLNPPXXFPD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 9594,6176,-1,,,,0.61863834,ISDB,SWTZTWQASUSBIY-SMMRIJLZSA-N,"InChI=1S/C20H32O2/c1-13(2)20(22)10-7-15-14(12-20)16(21)11-17-18(3,4)8-6-9-19(15,17)5/h12-13,15,17,22H,6-11H2,1-5H3/t15-,17-,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32O2,,304.240230264,SWTZTWQASUSBIY,Terpenoids,Diterpenoids,Abietane diterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,0,7.474553346633911 9595,6175,-1,,,,0.49245617,ISDB,IJVOVAHXZFALHZ-UHFFFAOYSA-N,"InChI=1S/C25H26O6/c1-24(2)14-4-5-25(3)23(14)22(24)13-8-12(15(27)9-19(13)31-25)18-10-17(29)21-16(28)6-11(26)7-20(21)30-18/h6-9,14,18,22-23,26-28H,4-5,10H2,1-3H3",CC12CCC3C1C(c1cc(C4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc1O2)C3(C)C,C25H26O6,,422.1729385519999,IJVOVAHXZFALHZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],3,0,4.9698246717453 9596,6174,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.26936576,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,4.0774630308151245 9597,6173,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.33611646,ISDB,AUQOSBIEPMUBCQ-TVZJVHHSSA-N,"InChI=1S/C36H58O6S/c1-8-22(19(2)3)9-10-24(33(40)43)27-14-13-26-23-11-12-25-20(4)29(42-34-32(39)31(38)30(37)21(5)41-34)16-18-35(25,6)28(23)15-17-36(26,27)7/h8,11,19-21,24-32,34,37-39H,9-10,12-18H2,1-7H3,(H,40,43)/b22-8-/t20-,21-,24+,25-,26-,27+,28-,29-,30-,31+,32-,34-,35-,36-/m0/s1",C/C=C(/CC[C@@H](C(=O)S)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C36H58O6S,,618.3954105759999,AUQOSBIEPMUBCQ,Terpenoids,Steroids,Stigmastane steroids,Breynia fruticosa,721777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Breynia'],['Breynia fruticosa'],4,1,5.844465851783752 9598,6172,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2152455,ISDB,HIZZPDXONVQBAA-WLAWTKBUSA-N,"InChI=1S/C22H34O4/c1-20-9-6-15(23)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,25)19(24)13-26-3/h4,8,15-17,19,23-25H,5-7,9-13H2,1-3H3/t15-,16+,17-,19-,20-,21-,22+/m0/s1",COC[C@H](O)[C@]1(O)CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C22H34O4,,362.245709568,HIZZPDXONVQBAA,Terpenoids,Steroids,Pregnane steroids,Periploca sepium,780215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Unknown'],['Periploca'],['Periploca sepium'],3,1,4.360982000827789 9599,6171,2052,Terpenoids,Triterpenoids,Limonoids,0.5587725,ISDB,QFRUZVNPYYYLAN-VRNZNSEPSA-N,"InChI=1S/C27H36O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-20,23,28H,1,7,9,11-13H2,2-6H3/t17-,18-,19+,20-,23-,25-,26+,27-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]12C,C27H36O7,,472.246103492,QFRUZVNPYYYLAN,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,3,6.735090017318726 9600,6171,2052,Terpenoids,Triterpenoids,Limonoids,0.5587725,ISDB,QFRUZVNPYYYLAN-VRNZNSEPSA-N,"InChI=1S/C27H36O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-20,23,28H,1,7,9,11-13H2,2-6H3/t17-,18-,19+,20-,23-,25-,26+,27-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]12C,C27H36O7,,472.246103492,QFRUZVNPYYYLAN,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,3,6.735090017318726 9601,6167,1326,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.716448,ISDB,RBTRUVNXLDXHBJ-UHFFFAOYSA-N,"InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-36H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4O)c3o2)cc1,C31H20O10,,552.10564684,RBTRUVNXLDXHBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sequoiadendron giganteum,810380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Sequoiadendron'],['Sequoiadendron giganteum'],7,3,11.365792036056519 9602,6166,1602,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40591532,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.123661279678345 9603,6165,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1methanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,1,9.5 9604,6163,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PAYBPGDQZXJNMH-MYKLHEQQSA-N,"InChI=1S/C34H48N2O3/c1-21(35-7)30-28(39-22(2)37)20-34(6)27-15-14-26-24(19-25(27)17-18-33(30,34)5)13-16-29(32(26,3)4)36-31(38)23-11-9-8-10-12-23/h8-12,17,19,21,26-30,35H,13-16,18,20H2,1-7H3,(H,36,38)/t21-,26+,27+,28+,29-,30-,33+,34-/m0/s1",CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C34H48N2O3,pos_1_1proton1isopropanol,532.366493396,PAYBPGDQZXJNMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,8.5 9605,6162,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,pos_1_1proton,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9606,6162,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,pos_1_1proton,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9607,6162,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,DNYDYJVMCPIMMQ-BZTLBABMSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,39H,13-16,18,20-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21,C35H50N2O4,pos_1_1proton,562.37705808,DNYDYJVMCPIMMQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9608,6161,-1,,,,0.8020746,ISDB,RTXAVFCDESLYER-UHFFFAOYSA-N,"InChI=1S/C15H18O/c16-14-12-6-4-10-15(14,11-5-7-12)13-8-2-1-3-9-13/h1-4,8-10,12,14,16H,5-7,11H2",OC1C2CC=CC1(c1ccccc1)CCC2,C15H18O,,214.135765196,RTXAVFCDESLYER,,,,Artemisia monosperma,536919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia monosperma'],4,0,7.208298444747925 9609,6160,-1,,,,0.0,MS1_match,IODGQWWTJYDCLN-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O,C17H14O7,pos_1_1proton,330.073952788,IODGQWWTJYDCLN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 9610,6159,-1,,,,0.64799523,ISDB,IMLYZVRFONVJHK-ZKQVNDDQSA-N,"InChI=1S/C27H40O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-19,21H,6-15H2,1-5H3/t16-,17+,18+,19-,21+,24+,25-,26-,27+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H]6CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)C(=O)O6,C27H40O3,,412.29774514,IMLYZVRFONVJHK,Terpenoids,Triterpenoids,Lupane triterpenoids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,0,6.591980934143066 9611,6156,332,Terpenoids,Diterpenoids,Abietane diterpenoids,0.63704705,ISDB,PIGCYOFMVCMFAW-DBVUQKKJSA-N,"InChI=1S/C20H30O3/c1-13(2)14-11-20(23)9-6-16-18(3,4)7-5-8-19(16,12-21)17(20)10-15(14)22/h10-11,13,16,21,23H,5-9,12H2,1-4H3/t16-,19+,20-/m0/s1",CC(C)C1=C[C@@]2(O)CC[C@H]3C(C)(C)CCC[C@]3(CO)C2=CC1=O,C20H30O3,,318.21949482,PIGCYOFMVCMFAW,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],5,3,9.048188209533691 9612,6155,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66132045,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.145281791687012 9613,6155,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66132045,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.145281791687012 9614,6155,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66132045,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.145281791687012 9615,6155,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66132045,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.145281791687012 9616,6155,1180,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66132045,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.145281791687012 9617,6154,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.45829985,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.333199381828308 9618,6153,-1,,,,0.8294226,ISDB,OHZINUTYNDAXCG-UHFFFAOYSA-N,"InChI=1S/C19H20O4/c1-10-17(11(2)19(22-5)12(3)18(10)21-4)16-9-13-14(20)7-6-8-15(13)23-16/h6-9,20H,1-5H3",COc1c(C)c(OC)c(C)c(-c2cc3c(O)cccc3o2)c1C,C19H20O4,,312.13615911999995,OHZINUTYNDAXCG,Polyketides,,,Stemona aphylla,310608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Stemonaceae'],['Unknown'],['Stemona'],['Stemona aphylla'],3,0,6.317690372467041 9619,6152,2010,Terpenoids,Diterpenoids,Abietane diterpenoids,0.40332314,ISDB,MRGKHDWUXCFJLK-JQERWDHBSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15,17H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O3,,316.203844756,MRGKHDWUXCFJLK,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.113292574882507 9620,6151,3407,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.3534431,ISDB,DWHTYLMRWXUGJL-DJIMGWMZSA-N,"InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)/t14-,16-,17-/m1/s1",C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H22O3,,274.156894564,DWHTYLMRWXUGJL,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,8.913772344589233 9621,6150,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1proton1ammonium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9622,6150,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1proton1ammonium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9623,6150,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1proton1ammonium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9624,6150,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1proton1ammonium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 9625,6147,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5670338,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,2,10.26813530921936 9626,6146,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.27450672,ISDB,SMIOMOUCRHKNNB-UHFFFAOYSA-N,"InChI=1S/C29H28O5/c1-34-28-18-22(10-5-19-3-2-4-25(32)15-19)26(16-20-6-11-23(30)12-7-20)29(33)27(28)17-21-8-13-24(31)14-9-21/h2-4,6-9,11-15,18,30-33H,5,10,16-17H2,1H3",COc1cc(CCc2cccc(O)c2)c(Cc2ccc(O)cc2)c(O)c1Cc1ccc(O)cc1,C29H28O5,,456.1936739959999,SMIOMOUCRHKNNB,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Gymnadenia conopsea,621560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Orchideae'],['Gymnadenia'],['Gymnadenia conopsea'],3,0,4.098026871681213 9627,6146,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.27450672,ISDB,SMIOMOUCRHKNNB-UHFFFAOYSA-N,"InChI=1S/C29H28O5/c1-34-28-18-22(10-5-19-3-2-4-25(32)15-19)26(16-20-6-11-23(30)12-7-20)29(33)27(28)17-21-8-13-24(31)14-9-21/h2-4,6-9,11-15,18,30-33H,5,10,16-17H2,1H3",COc1cc(CCc2cccc(O)c2)c(Cc2ccc(O)cc2)c(O)c1Cc1ccc(O)cc1,C29H28O5,,456.1936739959999,SMIOMOUCRHKNNB,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Bletilla formosana,386665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Arethuseae'],['Bletilla'],['Bletilla formosana'],3,0,4.098026871681213 9628,6146,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.27450672,ISDB,SMIOMOUCRHKNNB-UHFFFAOYSA-N,"InChI=1S/C29H28O5/c1-34-28-18-22(10-5-19-3-2-4-25(32)15-19)26(16-20-6-11-23(30)12-7-20)29(33)27(28)17-21-8-13-24(31)14-9-21/h2-4,6-9,11-15,18,30-33H,5,10,16-17H2,1H3",COc1cc(CCc2cccc(O)c2)c(Cc2ccc(O)cc2)c(O)c1Cc1ccc(O)cc1,C29H28O5,,456.1936739959999,SMIOMOUCRHKNNB,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pleione bulbocodioides,227365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Arethuseae'],['Pleione'],['Pleione bulbocodioides'],3,0,4.098026871681213 9629,6145,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.3158971,ISDB,NNPJVZHKKMTATL-GQZIMJKVSA-N,"InChI=1S/C39H53NO10/c1-21-29-17-28-18-31(46-23(3)41)22(2)35(38(28,7)8)36(48-25(5)43)37(49-26(6)44)39(29,9)33(47-24(4)42)20-32(21)50-34(45)19-30(40(10)11)27-15-13-12-14-16-27/h12-16,28-33,36-37H,1,17-20H2,2-11H3/t28-,29-,30?,31+,32+,33+,36-,37+,39+/m1/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C39H53NO10,,695.366946896,NNPJVZHKKMTATL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.763588428497314 9630,6143,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4975318,ISDB,PORHOKHIMOFMMH-FUMNGEBKSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18+,19+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O2,,302.2245802,PORHOKHIMOFMMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,9.490127205848694 9631,6141,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CTCUFNSATHDLRX-PWNXUCPHSA-N,"InChI=1S/C33H40O7/c1-19-25(36)17-24-18-32-20(2)26(40-27(37)14-13-23-11-9-8-10-12-23)15-16-31(32,7)28(38-21(3)34)29(39-22(4)35)33(19,32)30(24,5)6/h8-14,19,24,26,28-29H,2,15-18H2,1,3-7H3/b14-13+/t19-,24+,26+,28+,29+,31+,32+,33-/m0/s1",C=C1[C@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]34[C@@H](C)C(=O)C[C@H](C[C@]132)C4(C)C,C33H40O7,pos_1_1proton1ethylamine,548.27740362,CTCUFNSATHDLRX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 9632,6140,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.3384213,ISDB,KLYPRXGLYCCNGZ-PFIKXURKSA-N,"InChI=1S/C25H45N3O6S/c1-8-9-10-11-20(29)28-21(17(4)5)24(32)26-18(12-13-35(7)33)23(31)27-19(14-16(2)3)22(30)25(6)15-34-25/h16-19,21H,8-15H2,1-7H3,(H,26,32)(H,27,31)(H,28,29)/t18-,19-,21-,25+,35?/m0/s1",CCCCCC(=O)N[C@H](C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1)C(C)C,C25H45N3O6S,,515.30290716,KLYPRXGLYCCNGZ,Amino acids and Peptides,Small peptides,Tripeptides,Symploca,875816.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Symploca'],['Unknown'],0,0,1.3536851406097412 9633,6136,227,Fatty acids,Diterpenoids,Fatty alcohols,0.0,MS1_match,HBNVVMQCGSVOKF-VTXSFXCNSA-N,"InChI=1S/C20H32O4/c1-16(2)9-14(22)10-17(3)15(16)5-6-18-8-13(4-7-20(17,18)24)19(23,11-18)12-21/h13,15,21,23-24H,4-12H2,1-3H3/t13-,15-,17-,18+,19+,20-/m1/s1",CC1(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@]12O)[C@@](O)(CO)C3,C20H32O4,pos_1_1proton1methanol,336.230059504,HBNVVMQCGSVOKF,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,2,7.0 9634,6136,227,Fatty acids,Diterpenoids,Fatty alcohols,0.0,MS1_match,DXKOYDRYFOHLGA-GMSUXRJESA-N,"InChI=1S/C20H32O4/c1-17(2)7-4-8-18(3)13-6-5-12-9-19(13,10-20(12,24)11-21)16(23)14(22)15(17)18/h12-13,15-16,21,23-24H,4-11H2,1-3H3/t12-,13+,15-,16-,18+,19-,20+/m1/s1",CC1(C)CCC[C@]2(C)[C@@H]1C(=O)[C@@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3,C20H32O4,pos_1_1proton1methanol,336.230059504,DXKOYDRYFOHLGA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Physocarpus capitatus,840670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Neillieae'],['Physocarpus'],['Physocarpus capitatus'],6,2,7.0 9635,6136,227,Fatty acids,Diterpenoids,Fatty alcohols,0.0,MS1_match,GXISQCNZGGOFKX-HRWDCSRLSA-N,"InChI=1S/C20H32O4/c1-17(11-21)8-14(23)9-18(2)15(17)5-6-19-7-13(3-4-16(18)19)20(24,10-19)12-22/h13,15-16,21-22,24H,3-12H2,1-2H3/t13-,15-,16+,17+,18-,19+,20+/m1/s1",C[C@@]1(CO)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C20H32O4,pos_1_1proton1methanol,336.230059504,GXISQCNZGGOFKX,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,2,7.0 9636,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lamprolobium fruticosum,1055316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Brongniartieae'],['Lamprolobium'],['Lamprolobium fruticosum'],3,2,5.907636046409607 9637,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,2,5.907636046409607 9638,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora tonkinensis,434824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tonkinensis'],3,2,5.907636046409607 9639,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum andicolum,3923542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum andicola'],3,2,5.907636046409607 9640,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum rigidum,393217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum rigidum'],3,2,5.907636046409607 9641,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum elegans,676863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum elegans'],3,2,5.907636046409607 9642,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum andicola,3923542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum andicola'],3,2,5.907636046409607 9643,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum cumingii,464349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum cumingii'],3,2,5.907636046409607 9644,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-UHFFFAOYSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2",O=C1CCCC(=O)N1CC1CCCN2CCCCC12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora tomentosa,280932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tomentosa'],3,2,5.907636046409607 9645,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-UHFFFAOYSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2",O=C1CCCC(=O)N1CC1CCCN2CCCCC12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora velutina,57103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora velutina'],3,2,5.907636046409607 9646,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,2,5.907636046409607 9647,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lupinus holosericeus,1015263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus argenteus'],3,2,5.907636046409607 9648,6134,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.476909,ISDB,IFGFYNRAHYENJQ-CHWSQXEVSA-N,"InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1",O=C1CCCC(=O)N1C[C@H]1CCCN2CCCC[C@H]12,C15H24N2O2,,264.183778008,IFGFYNRAHYENJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Anarthrophyllum desideratum,338719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Anarthrophyllum'],['Anarthrophyllum desideratum'],3,2,5.907636046409607 9649,6133,-1,,,,0.4582216,ISDB,CUHBAHMWNDOHGZ-NXEZZACHSA-N,"InChI=1S/C12H18N2O2/c1-14-6-9(8-15)5-10(7-14)11-3-2-4-12(16)13-11/h2-4,9-10,15H,5-8H2,1H3,(H,13,16)/t9-,10-/m1/s1",CN1C[C@H](CO)C[C@@H](c2cccc(O)n2)C1,C12H18N2O2,,222.136827816,CUHBAHMWNDOHGZ,Alkaloids,Tryptophan alkaloids,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,4.832886457443237 9650,6133,-1,,,,0.4582216,ISDB,CUHBAHMWNDOHGZ-ZJUUUORDSA-N,"InChI=1S/C12H18N2O2/c1-14-6-9(8-15)5-10(7-14)11-3-2-4-12(16)13-11/h2-4,9-10,15H,5-8H2,1H3,(H,13,16)/t9-,10+/m1/s1",CN1C[C@H](CO)C[C@H](c2cccc(O)n2)C1,C12H18N2O2,,222.136827816,CUHBAHMWNDOHGZ,Alkaloids,Tryptophan alkaloids,,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,0,4.832886457443237 9651,6132,-1,,,,0.76517063,ISDB,BPMCGXVZFFWPSM-UHFFFAOYSA-N,"InChI=1S/C9H14N5O/c1-12(2)9-10-7-6(8(15)11-9)13(3)5-14(7)4/h5H,1-4H3,(H,10,11,15)",CN(C)c1nc(O)c2c(n1)N(C)[CH]N2C,C9H14N5O,,208.119835068,BPMCGXVZFFWPSM,Alkaloids,Pseudoalkaloids,Purine alkaloids,Heterostemma brownii,300835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Ceropegieae'],['Heterostemma'],['Heterostemma brownii'],3,0,6.060682535171509 9652,6131,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,LRHACJLAUKVIIH-KWWWDJPGSA-N,"InChI=1S/C31H50O5/c1-18(9-8-10-19(2)26(34)35)23-24(32)25(33)29(6)21-12-11-20-27(3,4)22(36-7)13-14-30(20)17-31(21,30)16-15-28(23,29)5/h10,18,20-25,32-33H,8-9,11-17H2,1-7H3,(H,34,35)/b19-10+/t18-,20+,21+,22-,23+,24-,25-,28-,29-,30-,31+/m1/s1",CO[C@@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@H](O)[C@@H](O)[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C31H50O5,pos_3_1proton2sodium,502.3658246999999,LRHACJLAUKVIIH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 9653,6128,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.81883126,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Nelumbo lutea,532278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Nelumbonaceae'],['Unknown'],['Nelumbo'],['Nelumbo lutea'],3,3,7.775325059890747 9654,6128,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.81883126,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],3,3,7.775325059890747 9655,6128,2746,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.81883126,ISDB,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],3,3,7.775325059890747 9656,6126,1639,Alkaloids,Pseudoalkaloids,Purine alkaloids,0.6933055,ISDB,MLXSCOQFYJPFNW-UHFFFAOYSA-N,"InChI=1S/C8H12N5O/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3/h4H,1-3H3,(H2,9,10,11,14)",CN=c1nc(O)c2c([nH]1)N(C)[CH]N2C,C8H12N5O,,194.104185004,MLXSCOQFYJPFNW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Heterostemma brownii,300835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Ceropegieae'],['Heterostemma'],['Heterostemma brownii'],3,3,7.273221969604492 9657,6125,-1,,,,0.48455,ISDB,DEIZWTCTMOWHIZ-DRIPEQOFSA-N,"InChI=1S/C39H60O11/c1-20-9-14-39(34(45)46)16-15-37(5)21(22(39)17-20)7-8-26-36(4)12-11-27(35(2,3)25(36)10-13-38(26,37)6)49-33-31(29(43)24(41)19-48-33)50-32-30(44)28(42)23(40)18-47-32/h7,22-33,40-44H,1,8-19H2,2-6H3,(H,45,46)/t22-,23+,24-,25+,26-,27-,28-,29-,30+,31+,32-,33+,36-,37+,38+,39-/m0/s1",C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1,C39H60O11,,704.41356274,DEIZWTCTMOWHIZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Akebia quinata,303954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Lardizabaleae'],['Akebia'],['Akebia quinata'],4,0,5.938199996948242 9658,6124,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.36474362,ISDB,FSHSSFILCCBENK-KOMNUGNMSA-N,"InChI=1S/C37H62O8/c1-21(2)23(5)11-18-37(9,42)25-13-17-36(8)30(25)27(45-33-32(41)31(40)26(38)20-44-33)19-28-34(6,15-14-29(39)43-10)24(22(3)4)12-16-35(28,36)7/h21,24-28,30-33,38,40-42H,3,5,11-20H2,1-2,4,6-10H3/t24-,25-,26+,27+,28+,30-,31-,32+,33-,34-,35+,36+,37-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C)C(C)C,C37H62O8,,634.444468944,FSHSSFILCCBENK,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],4,1,5.958974480628967 9659,6123,-1,,,,0.0,MS1_match,GVPKAHHAVRQDCN-NXEZQSRVSA-N,"InChI=1S/C36H54N2O4/c1-23(37(6)7)32-30(42-24(2)40)21-36(5)29-16-15-28-26(20-27(29)18-19-35(32,36)4)14-17-31(34(28,3)22-39)38(8)33(41)25-12-10-9-11-13-25/h9-14,23,27-32,39H,15-22H2,1-8H3/t23-,27+,28+,29+,30+,31-,32-,34-,35+,36-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](N(C)C(=O)c5ccccc5)[C@@]4(C)CO)C[C@H]3CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C36H54N2O4,pos_1_1proton1methanol,578.408358208,GVPKAHHAVRQDCN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 9660,6122,-1,,,,0.0,MS1_match,BZORLJPADUHVJE-QWBBESJSSA-N,"InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C39H54O7,pos_1_minus1proton1calcium,634.386954068,BZORLJPADUHVJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 9661,6119,1708,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66741896,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.169675827026367 9662,6118,-1,,,,0.42983383,ISDB,PTQFIYQNKVSVGM-GUDVDZBRSA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,7.719335317611694 9663,6116,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BEHTXUBGUDGCNQ-UHFFFAOYSA-N,"InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)",CCCCCC(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C,C46H57NO14,pos_1_1proton,847.3779055040001,BEHTXUBGUDGCNQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9664,6115,718,Terpenoids,Diterpenoids,Abietane diterpenoids,0.82333016,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,2,10.293320655822754 9665,6114,-1,,,,0.8544127,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,0,10.417650699615479 9666,6113,450,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.60415137,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,6.916605472564697 9667,6112,197,Terpenoids,Diterpenoids,Simple phenolic acids,0.21135446,ISDB,HLSBLCQCFVYDNL-IHQZWGTISA-N,"InChI=1S/C27H48O10/c1-17(29)14-12-10-8-6-4-3-5-7-9-11-13-15-19-21(18(2)25(33)35-19)26(34)37-27-24(32)23(31)22(30)20(16-28)36-27/h17-24,27-32H,3-16H2,1-2H3/t17-,18+,19-,20+,21+,22+,23-,24+,27-/m0/s1",C[C@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@H]1C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H48O10,,532.324747736,HLSBLCQCFVYDNL,,,,Pleopsidium gobiense,560213.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Acarosporales'],['Acarosporaceae'],['Unknown'],['Pleopsidium'],['Pleopsidium gobiense'],1,0,1.845417857170105 9668,6111,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9669,6111,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9670,6111,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9671,6111,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 9672,6109,-1,,,,0.0,MS1_match,FIDOCHXHMJHKRW-VHQVDBNASA-N,"InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1",COC[C@@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)[C@H]13)[C@]1(OC(C)=O)[C@H]3[C@@H](OC(=O)c5ccccc5)[C@](O)(C[C@H]34)[C@@H](OC)[C@@H]1O)N(C)C2,C33H45NO10,pos_2_2proton1ammonium,615.3043466400001,FIDOCHXHMJHKRW,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Liriodendron tulipifera,777299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Liriodendron'],['Liriodendron tulipifera'],6,0,6.0 9673,6107,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton1isopropanol,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,3,8.5 9674,6106,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6557872,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.123148918151855 9675,6105,-1,,,,0.0,MS1_match,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton1isopropanol,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 9676,6105,-1,,,,0.0,MS1_match,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_1proton1isopropanol,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 9677,6104,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UNALXIWYSATRFG-XTDKSSFHSA-N,"InChI=1S/C37H54N2O4/c1-23(2)31(41)38-29-16-17-36-21-37(36)19-18-34(5)30(24(3)39(7)8)26(43-32(42)25-12-10-9-11-13-25)20-35(34,6)28(37)15-14-27(36)33(29,4)22-40/h9-15,23-24,26-30,40H,16-22H2,1-8H3,(H,38,41)/t24-,26+,27-,28-,29-,30-,33-,34+,35-,36+,37-/m0/s1",CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@H]3[C@]1(C)CO,C37H54N2O4,pos_1_1proton,590.4083582080001,UNALXIWYSATRFG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 9678,6103,-1,,,,0.52198696,ISDB,MXPXAZNVQUWDFH-NSISKUIASA-N,"InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O4,,330.18310931199994,MXPXAZNVQUWDFH,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,8.087947845458984 9679,6102,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FKAOWOSRYSMEBS-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",COc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 9680,6102,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 9681,6101,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297597,ISDB,QVYSZKIZAPTGSX-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-10-6-5-9(7-11(10)24-2)18-17(22)15(20)14-12(27-18)8-13(25-3)19(26-4)16(14)21/h5-8,21-22H,1-4H3",COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1OC,C19H18O8,,374.1001675359999,QVYSZKIZAPTGSX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pluchea sagittalis,446137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea sagittalis'],4,3,8.81903886795044 9682,6101,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297597,ISDB,QVYSZKIZAPTGSX-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-10-6-5-9(7-11(10)24-2)18-17(22)15(20)14-12(27-18)8-13(25-3)19(26-4)16(14)21/h5-8,21-22H,1-4H3",COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1OC,C19H18O8,,374.1001675359999,QVYSZKIZAPTGSX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,3,8.81903886795044 9683,6101,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297597,ISDB,QVYSZKIZAPTGSX-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-10-6-5-9(7-11(10)24-2)18-17(22)15(20)14-12(27-18)8-13(25-3)19(26-4)16(14)21/h5-8,21-22H,1-4H3",COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1OC,C19H18O8,,374.1001675359999,QVYSZKIZAPTGSX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,3,8.81903886795044 9684,6101,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8297597,ISDB,QVYSZKIZAPTGSX-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-10-6-5-9(7-11(10)24-2)18-17(22)15(20)14-12(27-18)8-13(25-3)19(26-4)16(14)21/h5-8,21-22H,1-4H3",COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1OC,C19H18O8,,374.1001675359999,QVYSZKIZAPTGSX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Baccharis salicina,5794728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicina'],4,3,8.81903886795044 9685,6100,-1,,,,0.4534355,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.81374204158783 9686,6099,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.3326592,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,5.8306368589401245 9687,6096,-1,,,,0.286195,ISDB,GFSIRKGSRCAQRP-MJGOQNOKSA-N,"InChI=1S/C20H28O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h6-9,13-14,17,19H,5,10-12H2,1-4H3/t17-,19+/m1/s1",CC1=CCC=C(C)C[C@H]2C=C(CC[C@H](C(C)C)C=C1)C(=O)O2,C20H28O2,,300.208930136,GFSIRKGSRCAQRP,Terpenoids,Diterpenoids,Cembrane diterpenoids,Croton gratissimus,528092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton gratissimus'],3,0,4.1447800397872925 9688,6094,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.49447966,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,2,9.97791862487793 9689,6093,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_1_1proton1methanol,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,2,7.0 9690,6092,452,Terpenoids,Steroids,Steroidal alkaloids,0.6665061,ISDB,LZARHQWKQIGYQA-TUBOEUGPSA-N,"InChI=1S/C30H50O4/c1-24(2)19-8-9-20-27(6)16-18(31)23(28(7)12-11-22(34-28)25(3,4)33)26(27,5)14-15-30(20)17-29(19,30)13-10-21(24)32/h18-23,31-33H,8-17H2,1-7H3/t18-,19+,20+,21-,22-,23-,26+,27-,28-,29+,30-/m0/s1",CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1,C30H50O4,,474.37091008,LZARHQWKQIGYQA,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus quisqualis,3923705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus quisqualis'],4,1,7.166024446487427 9691,6091,-1,,,,0.4922896,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,0,4.969158411026001 9692,6089,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,WKBYYEDQGZSMCP-CNLUTGEBSA-N,"InChI=1S/C28H44N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,12,17,19,21-23,25H,9-11,13-16H2,1-7H3,(H,29,31)/b18-8+/t19-,21-,22-,23+,25-,27-,28+/m0/s1",C/C=C(\C)C(=O)N[C@@H]1C=C2CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,C28H44N2O,pos_2MCa,424.345364028,WKBYYEDQGZSMCP,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 9693,6088,-1,,,,0.24670449,ISDB,SGCHZBKQDFNHSL-BHIYHBOVSA-N,"InChI=1S/C19H26O3/c1-17(2,21)12-6-7-14-13(10-12)15(20)11-16-18(14,3)8-5-9-19(16,4)22/h6-7,10,16,21-22H,5,8-9,11H2,1-4H3/t16-,18-,19-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C,C19H26O3,,302.188194692,SGCHZBKQDFNHSL,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.986817955970764 9694,6087,-1,,,,0.74405247,ISDB,RGZDNFGDHPPFAU-MRXNPFEDSA-N,"InChI=1S/C19H24O2/c1-12-8-15-14(10-18(12)21-4)9-13-6-5-7-19(2,3)16(13)11-17(15)20/h8-10,16H,5-7,11H2,1-4H3/t16-/m1/s1",COc1cc2c(cc1C)C(=O)C[C@@H]1C(=C2)CCCC1(C)C,C19H24O2,,284.177630008,RGZDNFGDHPPFAU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Cnidoscolus quercifolius,3914591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Manihoteae'],['Cnidoscolus'],['Cnidoscolus quercifolius'],3,0,5.976209878921509 9695,6085,273,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6265511,ISDB,YHMNONMLRPTLPR-UHFFFAOYSA-N,"InChI=1S/C12H12O4/c1-6-4-5-8(13)11-9(6)10(15-3)7(2)12(14)16-11/h4-5,13H,1-3H3",COc1c(C)c(=O)oc2c(O)ccc(C)c12,C12H12O4,,220.073558864,YHMNONMLRPTLPR,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clutia abyssinica,5233428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Peraceae'],['Unknown'],['Clutia'],['Clutia abyssinica'],3,3,7.00620436668396 9696,6083,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.352831,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,8.91132402420044 9697,6081,-1,,,,0.75291985,ISDB,JCVVMRFAPQPJBD-IRXDYDNUSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1",CC(C)C1=C[C@@H]2Oc3ccccc3C[C@]2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longiracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],3,0,6.011679410934448 9698,6081,-1,,,,0.75291985,ISDB,JCVVMRFAPQPJBD-UHFFFAOYSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3",CC(C)C1=CC2Oc3ccccc3CC2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longeracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],3,0,6.011679410934448 9699,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia mellifera,1609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia mellifera'],3,3,6.914161920547485 9700,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia aurea,3882847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia lutea'],3,3,6.914161920547485 9701,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],3,3,6.914161920547485 9702,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.914161920547485 9703,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-WIRSXHRWSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17-,18+,21+/m1/s1",CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.193673996,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia,374096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Unknown'],3,3,6.914161920547485 9704,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-UHFFFAOYSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3",COC1c2cc(C(C)C)c(O)c(O)c2C23CCCC(C)(C)C2C1OC3=O,C21H28O5,,360.193673996,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Rosmarinus officinalis,778824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rosmarinus'],3,3,6.914161920547485 9705,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Lepechinia urbanii,5265182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Lepechinia'],['Lepechinia urbanii'],3,3,6.914161920547485 9706,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-WIRSXHRWSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17-,18+,21+/m1/s1",CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.193673996,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia abrotanoides,305923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia abrotanoides'],3,3,6.914161920547485 9707,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-TWFHAPMSSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21+/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.193673996,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia pachyphylla,1061909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia pachyphylla'],3,3,6.914161920547485 9708,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-WIRSXHRWSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17-,18+,21+/m1/s1",CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.193673996,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia dorrii,1061904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia dorrii'],3,3,6.914161920547485 9709,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-UHFFFAOYSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3",COC1c2cc(C(C)C)c(O)c(O)c2C23CCCC(C)(C)C2C1OC3=O,C21H28O5,,360.193673996,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia cana,6083063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia lanata'],3,3,6.914161920547485 9710,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia canariensis,1025163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia canariensis'],3,3,6.914161920547485 9711,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia columbariae,176401.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia columbariae'],3,3,6.914161920547485 9712,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia munzii,1605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia munzii'],3,3,6.914161920547485 9713,6080,448,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6035405,ISDB,XNPVHIQPSAZTLC-NYUBLWNDSA-N,"InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C21H28O5,,360.1936739959999,XNPVHIQPSAZTLC,Terpenoids,Diterpenoids,Abietane diterpenoids,Hyptis dilatata,6084375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Hyptis'],['Hyptis dilatata'],3,3,6.914161920547485 9714,6078,-1,,,,0.45552024,ISDB,ZNHPQEDTLCHPAZ-JDEACCKASA-N,"InChI=1S/C37H58O9/c1-21(39)45-29-28(41)24(40)19-44-30(29)46-27-11-12-33(4)25(34(27,5)20-38)10-13-36(7)26(33)9-8-22-23-18-32(2,3)14-16-37(23,31(42)43)17-15-35(22,36)6/h8,23-30,38,40-41H,9-20H2,1-7H3,(H,42,43)/t23-,24-,25+,26+,27-,28-,29+,30-,33-,34-,35+,36+,37-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@H](O)[C@@H]1O,C37H58O9,,646.4080834360001,ZNHPQEDTLCHPAZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus lawii,759796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus lawii'],4,0,5.822080969810486 9715,6078,-1,,,,0.45552024,ISDB,ZNHPQEDTLCHPAZ-JDEACCKASA-N,"InChI=1S/C37H58O9/c1-21(39)45-29-28(41)24(40)19-44-30(29)46-27-11-12-33(4)25(34(27,5)20-38)10-13-36(7)26(33)9-8-22-23-18-32(2,3)14-16-37(23,31(42)43)17-15-35(22,36)6/h8,23-30,38,40-41H,9-20H2,1-7H3,(H,42,43)/t23-,24-,25+,26+,27-,28-,29+,30-,33-,34-,35+,36+,37-/m0/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)OC[C@H](O)[C@@H]1O,C37H58O9,,646.4080834360001,ZNHPQEDTLCHPAZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phyllanthus polyphyllus,69050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus polyphyllus'],4,0,5.822080969810486 9716,6076,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.46488324,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.359532952308655 9717,6075,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7449215,ISDB,ZAUXXSQCVPKKPE-HNNXBMFYSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m0/s1",CC1=C2C(=O)c3c(C)coc3C[C@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],3,3,7.47968602180481 9718,6075,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7449215,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],3,3,7.47968602180481 9719,6074,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5209214,ISDB,PDEYVCIISSAEBG-DVSQZFJSSA-N,"InChI=1S/C33H48N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,21-22,26-29H,13-16,18-20H2,1-7H3,(H,34,36)/t22-,26+,27+,28+,29-,32+,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C)N(C)C,C33H48N2O,,488.376664156,PDEYVCIISSAEBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.583685636520386 9720,6073,865,Alkaloids,Triterpenoids,Steroidal alkaloids,0.62326145,ISDB,SVCHRSBIXYNQEX-LBPZAJDOSA-N,"InChI=1S/C31H50O4/c1-26(2)13-15-31(25(33)34-8)16-14-29(6)21(18(31)17-26)22-23(35-22)24-28(5)11-10-20(32)27(3,4)19(28)9-12-30(24,29)7/h18-24,32H,9-17H2,1-8H3/t18-,19-,20-,21-,22-,23-,24+,28-,29+,30+,31-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@@H]3O[C@@H]3[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C31H50O4,,486.37091008,SVCHRSBIXYNQEX,Terpenoids,Triterpenoids,Oleanane triterpenoids,Isodon japonicus,76005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon japonicus'],4,2,7.493045806884766 9721,6072,73,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,0.5444558,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],3,3,6.677823305130005 9722,6071,-1,,,,0.0,MS1_match,OGIAPYMKNMJXRA-QHJBDEMPSA-N,"InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-36(34(7,8)44)28(18)29(50-33(43)24-13-11-10-12-14-24)31(48-21(4)40)35(9)26(47-20(3)39)15-27-37(17-45-27,51-23(6)42)30(35)32(36)49-22(5)41/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26-,27+,29+,30-,31-,32-,35+,36-,37-/m0/s1",CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]1[C@@H]2OC(C)=O,C37H46O14,pos_1_1proton1ammonium,714.2887561519999,OGIAPYMKNMJXRA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 9723,6071,-1,,,,0.0,MS1_match,YGDMNNDIKAOMNZ-UHFFFAOYSA-N,"InChI=1S/C35H42O14/c1-17-24(40)14-26(46-18(2)36)34(16-44-31(42)22-11-9-8-10-12-22)27(17)28(47-19(3)37)23-13-25(41)33(7)35(43,32(23,6)15-45-33)30(49-21(5)39)29(34)48-20(4)38/h8-12,23-24,26-30,40,43H,1,13-16H2,2-7H3",C=C1C(O)CC(OC(C)=O)C2(COC(=O)c3ccccc3)C(OC(C)=O)C(OC(C)=O)C3(O)C4(C)OCC3(C)C(CC4=O)C(OC(C)=O)C12,C35H42O14,pos_1_1proton1ethylamine,686.257456024,YGDMNNDIKAOMNZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 9724,6071,-1,,,,0.0,MS1_match,UJFKTEIDORFVQS-UHFFFAOYSA-N,"InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-37(44)32(50-33(43)24-13-11-10-12-14-24)30-35(9,26(47-20(3)39)15-27-36(30,17-45-27)51-23(6)42)31(49-22(5)41)29(48-21(4)40)28(18)34(37,7)8/h10-14,25-27,29-32,44H,15-17H2,1-9H3",CC(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(C)C,C37H46O14,pos_1_1proton1ammonium,714.288756152,UJFKTEIDORFVQS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 9725,6070,-1,,,,0.0,MS1_match,YGDMNNDIKAOMNZ-UHFFFAOYSA-N,"InChI=1S/C35H42O14/c1-17-24(40)14-26(46-18(2)36)34(16-44-31(42)22-11-9-8-10-12-22)27(17)28(47-19(3)37)23-13-25(41)33(7)35(43,32(23,6)15-45-33)30(49-21(5)39)29(34)48-20(4)38/h8-12,23-24,26-30,40,43H,1,13-16H2,2-7H3",C=C1C(O)CC(OC(C)=O)C2(COC(=O)c3ccccc3)C(OC(C)=O)C(OC(C)=O)C3(O)C4(C)OCC3(C)C(CC4=O)C(OC(C)=O)C12,C35H42O14,pos_1_1sodium,686.257456024,YGDMNNDIKAOMNZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 9726,6069,2879,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YGDMNNDIKAOMNZ-UHFFFAOYSA-N,"InChI=1S/C35H42O14/c1-17-24(40)14-26(46-18(2)36)34(16-44-31(42)22-11-9-8-10-12-22)27(17)28(47-19(3)37)23-13-25(41)33(7)35(43,32(23,6)15-45-33)30(49-21(5)39)29(34)48-20(4)38/h8-12,23-24,26-30,40,43H,1,13-16H2,2-7H3",C=C1C(O)CC(OC(C)=O)C2(COC(=O)c3ccccc3)C(OC(C)=O)C(OC(C)=O)C3(O)C4(C)OCC3(C)C(CC4=O)C(OC(C)=O)C12,C35H42O14,pos_1_1proton1ammonium,686.257456024,YGDMNNDIKAOMNZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9727,6068,-1,,,,0.0,MS1_match,YGDMNNDIKAOMNZ-UHFFFAOYSA-N,"InChI=1S/C35H42O14/c1-17-24(40)14-26(46-18(2)36)34(16-44-31(42)22-11-9-8-10-12-22)27(17)28(47-19(3)37)23-13-25(41)33(7)35(43,32(23,6)15-45-33)30(49-21(5)39)29(34)48-20(4)38/h8-12,23-24,26-30,40,43H,1,13-16H2,2-7H3",C=C1C(O)CC(OC(C)=O)C2(COC(=O)c3ccccc3)C(OC(C)=O)C(OC(C)=O)C3(O)C4(C)OCC3(C)C(CC4=O)C(OC(C)=O)C12,C35H42O14,pos_1_1potassium,686.257456024,YGDMNNDIKAOMNZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 9728,6067,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.24067421,ISDB,,,,,,,OXLOMOSPFCTSBK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9626968502998352 9729,6066,452,Terpenoids,Steroids,Steroidal alkaloids,0.57539624,ISDB,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.801584959030151 9730,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum,274806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Unknown'],3,0,5.657353639602661 9731,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria discolor,5793077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria discolor'],3,0,5.657353639602661 9732,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum brachyanthum,6086123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum brachyanthum'],3,0,5.657353639602661 9733,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria albida,5793091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria albida'],3,0,5.657353639602661 9734,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-HNYRCEHSSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@@](C)([C@H]3C[C@@H]4C=CO[C@@H]4O3)[C@@H]1CCC[C@@]21CO1,C24H34O7,,434.230453428,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Tripora divaricata,503293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Tripora'],['Tripora divaricata'],3,0,5.657353639602661 9735,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga bracteosa,5793030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga bracteosa'],3,0,5.657353639602661 9736,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria violacea,5793117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria violacea'],3,0,5.657353639602661 9737,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum infortunatum,460156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum infortunatum'],3,0,5.657353639602661 9738,6062,-1,,,,0.6643384,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga integrifolia,6086036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga integrifolia'],3,0,5.657353639602661 9739,6061,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.5476253,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1905012130737305 9740,6060,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.61319804,ISDB,SGHXLRHVQDPMOF-LUKYLMHMSA-N,"InChI=1S/C19H30N2O3/c1-3-4-5-7-15-11-17(24-19(22)18-8-6-9-20-18)12-16-10-14(2)23-13-21(15)16/h6,8-9,14-17,20H,3-5,7,10-13H2,1-2H3/t14-,15-,16-,17+/m0/s1",CCCCC[C@H]1C[C@@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@H](C)OCN21,C19H30N2O3,,334.22564282,SGHXLRHVQDPMOF,Alkaloids,Lysine alkaloids,,Hyperaspis campestris,3355390.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Coccinellidae'],['Hyperaspidini'],['Hyperaspis'],['Hyperaspis campestris'],1,2,4.452792167663574 9741,6059,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.71507365,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8602945804595947 9742,6057,452,Terpenoids,Steroids,Steroidal alkaloids,0.41302595,ISDB,UNVIKJZRLTXMOH-DHIUTWEWSA-N,"InChI=1S/C26H39N3O3/c1-3-4-5-6-7-8-12-18-24(30)29(2)23(20-21-15-10-9-11-16-21)26(32)28-22-17-13-14-19-27-25(22)31/h3,9-11,15-16,22-23H,1,4-8,12-14,17-20H2,2H3,(H,27,31)(H,28,32)/t22-,23-/m1/s1",C=CCCCCCCCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O,C26H39N3O3,,441.299142108,UNVIKJZRLTXMOH,,,,Aaptos ciliata,2839394.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Suberitidae'],['Unknown'],['Aaptos'],['Aaptos ciliata'],1,0,2.6521037817001343 9743,6056,1090,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,pos_2_2proton,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9744,6056,1090,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,pos_2_2proton,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9745,6056,1090,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OMCZFOUSFSIOAM-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C35H50N2O3,pos_2_2proton,546.38214346,OMCZFOUSFSIOAM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9746,6055,2139,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,pos_1_1sodium,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9747,6055,2139,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,pos_1_1sodium,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9748,6055,2139,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OMCZFOUSFSIOAM-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C35H50N2O3,pos_1_1sodium,546.38214346,OMCZFOUSFSIOAM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9749,6054,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,AXDCYYBJKVWQML-UWGXVUJWSA-N,"InChI=1S/C30H46N2O3/c1-18(32(4)5)21-13-14-22-20-11-12-24-27(34)26(31-28(35)19-9-7-6-8-10-19)25(33)17-30(24,3)23(20)15-16-29(21,22)2/h6-10,18,20-27,33-34H,11-17H2,1-5H3,(H,31,35)/t18-,20-,21+,22-,23-,24-,25+,26+,27-,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@H](NC(=O)c5ccccc5)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O3,pos_2MCa,482.350843332,AXDCYYBJKVWQML,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,2,7.0 9750,6053,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9751,6053,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9752,6053,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9753,6053,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NNPJVZHKKMTATL-GQZIMJKVSA-N,"InChI=1S/C39H53NO10/c1-21-29-17-28-18-31(46-23(3)41)22(2)35(38(28,7)8)36(48-25(5)43)37(49-26(6)44)39(29,9)33(47-24(4)42)20-32(21)50-34(45)19-30(40(10)11)27-15-13-12-14-16-27/h12-16,28-33,36-37H,1,17-20H2,2-11H3/t28-,29-,30?,31+,32+,33+,36-,37+,39+/m1/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C39H53NO10,pos_1_1proton,695.366946896,NNPJVZHKKMTATL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9754,6051,3004,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,DANYIYRPLHHOCZ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C16H12O5,pos_1_1proton,284.068473484,DANYIYRPLHHOCZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 9755,6050,-1,,,,0.0,MS1_match,SJUKMJXVKWLHQV-PBTICFTBSA-N,"InChI=1S/C24H36O6/c1-16(14-21(27)28)6-8-18-17(2)7-9-19-23(3,12-5-13-24(18,19)4)15-30-22(29)11-10-20(25)26/h14,18-19H,2,5-13,15H2,1,3-4H3,(H,25,26)(H,27,28)/b16-14+/t18-,19-,23+,24+/m0/s1",C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C24H36O6,pos_1_1sodium,420.2511888719999,SJUKMJXVKWLHQV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 9756,6050,-1,,,,0.0,MS1_match,UNLBVDZKMBYCGV-RQDSQJSGSA-N,"InChI=1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O6,pos_1_1sodium,420.251188872,UNLBVDZKMBYCGV,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 9757,6049,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1methanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,1,9.5 9758,6046,71,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6631715,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.15268611907959 9759,6046,71,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6631715,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.15268611907959 9760,6046,71,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6631715,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.15268611907959 9761,6046,71,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6631715,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.15268611907959 9762,6046,71,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6631715,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.15268611907959 9763,6045,1673,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.67348886,ISDB,OXKJXQWUKRTLGT-QGZVFWFLSA-N,"InChI=1S/C19H26O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h6,10-12,17,20H,5,7-9H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2,C19H26O,,270.198365452,OXKJXQWUKRTLGT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,3,7.193955421447754 9764,6044,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42706954,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.208278179168701 9765,6043,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KJENSRFCLYHWHZ-GFCZYIHWSA-N,"InChI=1S/C35H48N2O4/c1-22(37(6)7)30-27(41-23(2)38)20-34(5)26-13-14-28-32(3)21-40-35(28,19-25(26)15-17-33(30,34)4)18-16-29(32)36-31(39)24-11-9-8-10-12-24/h8-12,15-16,18,22,26-30H,13-14,17,19-21H2,1-7H3,(H,36,39)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O4,pos_1_1proton1isopropanol,560.361408016,KJENSRFCLYHWHZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,8.5 9766,6043,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LEZNRQJMGICGFC-ZQRJVKGGSA-N,"InChI=1S/C35H48N2O4/c1-21(37(6)7)30-29(41-22(2)38)19-35(5)27-14-13-26-25(17-24(27)15-16-34(30,35)4)18-28-31(33(26,3)20-40-28)36-32(39)23-11-9-8-10-12-23/h8-12,15,18,21,26-31H,13-14,16-17,19-20H2,1-7H3,(H,36,39)/t21-,26+,27+,28+,29+,30-,31-,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@H]5OC[C@]4(C)[C@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O4,pos_1_1proton1isopropanol,560.361408016,LEZNRQJMGICGFC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,8.5 9767,6043,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VPLQJQHDLIDIFV-IVCHFRTESA-N,"InChI=1S/C35H48N2O4/c1-21(37(6)7)30-28(41-22(2)38)19-35(5)26-18-27-31-25(17-24(26)15-16-34(30,35)4)13-14-29(33(31,3)20-40-27)36-32(39)23-11-9-8-10-12-23/h8-12,15,17,21,26-31H,13-14,16,18-20H2,1-7H3,(H,36,39)/t21-,26+,27-,28+,29-,30-,31-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)CCC(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O4,pos_1_1proton1isopropanol,560.361408016,VPLQJQHDLIDIFV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,8.5 9768,6042,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9769,6042,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9770,6042,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9771,6042,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9772,6042,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 9773,6040,2591,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.78773063,ISDB,BYQQDLUCCAZYJO-PGKPSXLWSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2/t10-,11+,12+,14+,15+/m0/s1",O=C1CCC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@](O)(CN12)[C@@H]34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,3,7.650922536849976 9774,6040,2591,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.78773063,ISDB,BYQQDLUCCAZYJO-PGKPSXLWSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2/t10-,11+,12+,14+,15+/m0/s1",O=C1CCC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@](O)(CN12)[C@@H]34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora tonkinensis,434824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tonkinensis'],3,3,7.650922536849976 9775,6040,2591,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.78773063,ISDB,BYQQDLUCCAZYJO-UHFFFAOYSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2",O=C1CCCC2C3CC(O)CN4CCCC(O)(CN12)C34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Eria anomala,3979504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Eria'],['Eria anomala'],3,3,7.650922536849976 9776,6040,2591,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.78773063,ISDB,BYQQDLUCCAZYJO-UHFFFAOYSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2",O=C1CCCC2C3CC(O)CN4CCCC(O)(CN12)C34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],3,3,7.650922536849976 9777,6038,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.43444288,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.23777151107788 9778,6037,-1,,,,0.0,MS1_match,BWDCJRUCCWZCIY-UHFFFAOYSA-N,"InChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3",CC=Cc1ccc(OC)c(OC)c1OC,C12H16O3,pos_2MNa,208.109944372,BWDCJRUCCWZCIY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,0,7.0 9779,6035,450,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.530303,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,6.621212005615234 9780,6033,-1,,,,0.7246477,ISDB,HADHVBAKVBZOFP-UHFFFAOYSA-N,"InChI=1S/C22H24O5/c1-24-19-11-6-15-4-9-18(10-5-15)27-22-12-16(7-8-17(23)13-19)20(25-2)14-21(22)26-3/h4-5,9-10,12-14H,6-8,11H2,1-3H3",COC1=CC(=O)CCc2cc(c(OC)cc2OC)Oc2ccc(cc2)CC1,C22H24O5,,368.162373868,HADHVBAKVBZOFP,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,Garuga pinnata,5748263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Garuga'],['Garuga pinnata'],3,0,5.898590803146362 9781,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-HUUCEWRRSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.141638424,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 9782,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 9783,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 9784,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Tsuga chinensis,608487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga chinensis'],6,3,7.5 9785,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 9786,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-HUUCEWRRSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.141638424,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Tsuga heterophylla,1095217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga heterophylla'],6,3,7.5 9787,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-HUUCEWRRSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.141638424,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 9788,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 9789,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Tsuga chinensis,608487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga chinensis'],6,3,7.5 9790,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 9791,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-HUUCEWRRSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.141638424,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Tsuga heterophylla,1095217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga heterophylla'],6,3,7.5 9792,6030,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1ethylamine,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 9793,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Aglaia tomentosa,353191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia tomentosa'],3,3,7.149479389190674 9794,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Virola sebifera,206492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola sebifera'],3,3,7.149479389190674 9795,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Oenanthe aquatica,729565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Oenantheae'],['Oenanthe'],['Oenanthe aquatica'],3,3,7.149479389190674 9796,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Zanthoxylum gilletii,4728649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum gilletii'],3,3,7.149479389190674 9797,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Ptelea trifoliata,113663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ptelea'],['Ptelea trifoliata'],3,3,7.149479389190674 9798,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Peperomia vulcanica,5919799.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia vulcanica'],3,3,7.149479389190674 9799,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],3,3,7.149479389190674 9800,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-UHFFFAOYSA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3",COc1ccc(CC2COC(=O)C2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Aglaia elaeagnoidea,956615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia elaeagnoidea'],3,3,7.149479389190674 9801,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],3,3,7.149479389190674 9802,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],3,3,7.149479389190674 9803,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Hernandia sonora,1035519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia sonora'],3,3,7.149479389190674 9804,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Hernandia nymphaeifolia,638626.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia nymphaeifolia'],3,3,7.149479389190674 9805,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Hernandia guianensis,373836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia guianensis'],3,3,7.149479389190674 9806,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Virola michelii,377616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola michelii'],3,3,7.149479389190674 9807,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea orphanidea,3894141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea orphanidea'],3,3,7.149479389190674 9808,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Hernandia ovigera,1072062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Hernandiaceae'],['Unknown'],['Hernandia'],['Hernandia ovigera'],3,3,7.149479389190674 9809,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Virola elongata,3869063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola elongata'],3,3,7.149479389190674 9810,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Zanthoxylum heitzii,6125670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum heitzii'],3,3,7.149479389190674 9811,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Vaccinium myrtillus,817730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium myrtillus'],3,3,7.149479389190674 9812,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Bupleurum salicifolium,36103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum salicifolium'],3,3,7.149479389190674 9813,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],3,3,7.149479389190674 9814,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Rubus chamaemorus,902631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chamaemorus'],3,3,7.149479389190674 9815,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],3,3,7.149479389190674 9816,6029,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.66236985,ISDB,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Vaccinium vitis-idaea,242921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium vitis-idaea'],3,3,7.149479389190674 9817,6028,-1,,,,0.42496637,ISDB,AWBXMNYCXOZEMM-UHFFFAOYSA-N,"InChI=1S/C13H12O/c1-3-4-5-6-9-12-10-7-8-11-13(12)14-2/h7-8,10-11H,9H2,1-2H3",CC#CC#CCc1ccccc1OC,C13H12O,,184.088815004,AWBXMNYCXOZEMM,Shikimates and Phenylpropanoids,,,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],3,0,4.699865460395813 9818,6025,2383,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.38728637,ISDB,FHFKLFYRFFKTRP-BYNSBNAKSA-N,"InChI=1S/C15H24O2/c1-10(2)12-6-7-15(3,17)14-5-4-11(9-16)8-13(12)14/h8-10,12-14,17H,4-7H2,1-3H3/t12-,13-,14+,15+/m0/s1",CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCC(C=O)=C[C@H]21,C15H24O2,,236.177630008,FHFKLFYRFFKTRP,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Magnolia kachirachirai,843602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kachirachirai'],7,3,10.049145460128784 9819,6024,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PCQITRFQXGWRQK-UYCZQSBESA-N,"InChI=1S/C28H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h7-8,10-11,18-19,21-22,24,29H,3-6,9,12-17,20,23H2,1-2H3/b8-7-,11-10-,19-18-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C\c1ccc(O)c(OC)c1,C28H42O4,pos_2MMg,442.308309824,PCQITRFQXGWRQK,Polyketides,Aromatic polyketides,Catechols with side chains,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 9820,6024,13,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,PCQITRFQXGWRQK-UYCZQSBESA-N,"InChI=1S/C28H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(30)32-23-18-19-25-21-22-26(29)27(24-25)31-2/h7-8,10-11,18-19,21-22,24,29H,3-6,9,12-17,20,23H2,1-2H3/b8-7-,11-10-,19-18-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C\c1ccc(O)c(OC)c1,C28H42O4,pos_2MMg,442.308309824,PCQITRFQXGWRQK,Polyketides,Aromatic polyketides,Catechols with side chains,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 9821,6021,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.69377404,ISDB,DAQJYUCPSHWKIR-RCOKLKMLSA-N,"InChI=1S/C25H35NO/c1-6-16-12-25-14-19(25)17-13-24(11-9-21(26-5)22(24,2)3)10-7-8-18(17)23(25,4)15-20(16)27/h7-8,10,13,16,19,21,26H,6,9,11-12,14-15H2,1-5H3/t16-,19+,21-,23-,24-,25+/m0/s1",CC[C@H]1C[C@@]23C[C@@H]2C2=C[C@]4(C=CC=C2[C@]3(C)CC1=O)CC[C@H](NC)C4(C)C,C25H35NO,,365.27186474,DAQJYUCPSHWKIR,Terpenoids,Diterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.77509617805481 9822,6019,2037,Terpenoids,Diterpenoids,Abietane diterpenoids,0.48508754,ISDB,JMYBTVXXLMTVKS-WSTZPKSXSA-N,"InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C,C20H30O,,286.22966558,JMYBTVXXLMTVKS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.44035017490387 9823,6018,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.6420245,ISDB,SGHXLRHVQDPMOF-LUKYLMHMSA-N,"InChI=1S/C19H30N2O3/c1-3-4-5-7-15-11-17(24-19(22)18-8-6-9-20-18)12-16-10-14(2)23-13-21(15)16/h6,8-9,14-17,20H,3-5,7,10-13H2,1-2H3/t14-,15-,16-,17+/m0/s1",CCCCC[C@H]1C[C@@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@H](C)OCN21,C19H30N2O3,,334.22564282,SGHXLRHVQDPMOF,Alkaloids,Lysine alkaloids,,Hyperaspis campestris,3355390.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Coccinellidae'],['Hyperaspidini'],['Hyperaspis'],['Hyperaspis campestris'],1,2,4.568098068237305 9824,6017,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77378094,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.595123767852783 9825,6017,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77378094,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.595123767852783 9826,6017,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77378094,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.595123767852783 9827,6017,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77378094,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.595123767852783 9828,6017,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.77378094,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.595123767852783 9829,6015,492,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.0,MS1_match,QUEVERLBIJSVRP-DJXSRFPXSA-N,"InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O,C24H36O5,pos_1_1proton,404.256274252,QUEVERLBIJSVRP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,2,7.0 9830,6014,-1,,,,0.2661305,ISDB,,,,,,,GCZRQXYHQYAOEC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0645220279693604 9831,6013,1336,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UNALXIWYSATRFG-XTDKSSFHSA-N,"InChI=1S/C37H54N2O4/c1-23(2)31(41)38-29-16-17-36-21-37(36)19-18-34(5)30(24(3)39(7)8)26(43-32(42)25-12-10-9-11-13-25)20-35(34,6)28(37)15-14-27(36)33(29,4)22-40/h9-15,23-24,26-30,40H,16-22H2,1-8H3,(H,38,41)/t24-,26+,27-,28-,29-,30-,33-,34+,35-,36+,37-/m0/s1",CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@H]3[C@]1(C)CO,C37H54N2O4,pos_1_1proton,590.4083582080001,UNALXIWYSATRFG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 9832,6011,-1,,,,0.8429073,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,9.371629238128662 9833,6011,-1,,,,0.8429073,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,9.371629238128662 9834,6010,-1,,,,0.3193532,ISDB,QMSWKASVXHXIKB-JUNANHINSA-N,"InChI=1S/C20H28O5/c1-18(2,25)13-8-11-9-15(22)16-19(3,12(11)10-14(13)21)6-5-7-20(16,4)17(23)24/h8-9,12,15-16,22,25H,5-7,10H2,1-4H3,(H,23,24)/t12-,15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=C[C@H](O)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O5,,348.1936739959999,QMSWKASVXHXIKB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.27741277217865 9835,6008,-1,,,,0.5413693,ISDB,MXBCUUKBWQLFOZ-ABSDTBQOSA-N,"InChI=1S/C24H34O5/c1-16(7-8-18-9-11-21(26-3)23(14-18)28-5)17(2)20(25)13-19-10-12-22(27-4)24(15-19)29-6/h9-12,14-17,20,25H,7-8,13H2,1-6H3/t16-,17-,20+/m0/s1",COc1ccc(CC[C@H](C)[C@H](C)[C@H](O)Cc2ccc(OC)c(OC)c2)cc1OC,C24H34O5,,402.240624188,MXBCUUKBWQLFOZ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Virola peruviana,5700102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola peruviana'],3,0,5.165477275848389 9836,6006,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3392856,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.857142448425293 9837,6006,88,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3392856,ISDB,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],5,3,7.857142448425293 9838,6005,267,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6316867,ISDB,GQRUHVMVWNKUFW-YSTOQKLRSA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19+,20-/m1/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CO)CCC[C@]3(C)[C@@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.02674674987793 9839,6005,267,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6316867,ISDB,GQRUHVMVWNKUFW-YSTOQKLRSA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19+,20-/m1/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CO)CCC[C@]3(C)[C@@H]2CC1,C20H32O,,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,10.02674674987793 9840,6004,-1,,,,0.52641845,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,8.105673789978027 9841,6004,-1,,,,0.52641845,ISDB,QUUCYKKMFLJLFS-AZUAARDMSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,8.105673789978027 9842,6004,-1,,,,0.52641845,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,8.105673789978027 9843,6004,-1,,,,0.52641845,ISDB,QUUCYKKMFLJLFS-ICSRJNTNSA-N,"InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C,C20H30,,270.23475096,QUUCYKKMFLJLFS,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,8.105673789978027 9844,6003,-1,,,,0.7947631,ISDB,OZVBAFBRWKCCHV-BPNCWPANSA-N,"InChI=1S/C14H22O/c1-12(2)6-4-7-13(3)8-5-11(15)10-9-14(10,12)13/h10H,4-9H2,1-3H3/t10-,13-,14-/m0/s1",CC1(C)CCC[C@@]2(C)CCC(=O)[C@@H]3C[C@]312,C14H22O,,206.167065324,OZVBAFBRWKCCHV,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Cupressus bakeri,828751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Hesperocyparis'],['Hesperocyparis bakeri'],3,0,6.179052352905273 9845,6003,-1,,,,0.7947631,ISDB,OZVBAFBRWKCCHV-BPNCWPANSA-N,"InChI=1S/C14H22O/c1-12(2)6-4-7-13(3)8-5-11(15)10-9-14(10,12)13/h10H,4-9H2,1-3H3/t10-,13-,14-/m0/s1",CC1(C)CCC[C@@]2(C)CCC(=O)[C@@H]3C[C@]312,C14H22O,,206.167065324,OZVBAFBRWKCCHV,Terpenoids,Sesquiterpenoids,Thujopsane sesquiterpenoids,Juniperus occidentalis,335572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus occidentalis'],3,0,6.179052352905273 9846,6002,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.68276656,ISDB,LKMJVLAOXQAMCD-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-8-13(21)18(25-3)14(22)12-15(23)19(26-4)17(27-16(8)12)9-5-6-10(20)11(7-9)24-2/h5-7,20-22H,1-4H3",COc1cc(-c2oc3c(C)c(O)c(OC)c(O)c3c(=O)c2OC)ccc1O,C19H18O8,,374.100167536,LKMJVLAOXQAMCD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vellozia nanuzae,3968388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia nanuzae'],4,3,8.231066226959229 9847,5997,-1,,,,0.437292,ISDB,PTQFIYQNKVSVGM-GUDVDZBRSA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,7.749168038368225 9848,5997,-1,,,,0.437292,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.749168038368225 9849,5994,92,Terpenoids,Diterpenoids,Abietane diterpenoids,0.30106875,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,8.704275012016296 9850,5993,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.36121234,ISDB,CNFYXWMKUWKEFW-CDYKTAJASA-N,"InChI=1S/C39H54N2O7/c1-23(41(8)9)34-33(48-26(4)44)21-39(7)31-16-15-30-29(19-28(31)17-18-38(34,39)6)20-32(47-25(3)43)35(37(30,5)22-46-24(2)42)40-36(45)27-13-11-10-12-14-27/h10-14,17,20,23,30-35H,15-16,18-19,21-22H2,1-9H3,(H,40,45)/t23-,30+,31+,32+,33+,34-,35-,37-,38+,39-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H]2CC[C@@H]3C(=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]34C)CC2=C[C@@H](OC(C)=O)[C@@H]1NC(=O)c1ccccc1,C39H54N2O7,,662.393102068,CNFYXWMKUWKEFW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,10.944849371910095 9851,5992,-1,,,,0.0,MS1_match,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,pos_1_1proton1methanol,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 9852,5992,-1,,,,0.0,MS1_match,QYYVJMYMRMHFOG-CYBVICEPSA-N,"InChI=1S/C33H50N2O2/c1-22(35(6)7)25-16-19-32(5)26-13-14-27-30(2,3)28(34-29(36)23-11-9-8-10-12-23)17-20-33(27,37)21-24(26)15-18-31(25,32)4/h8-12,15,22,25-28,37H,13-14,16-21H2,1-7H3,(H,34,36)/t22-,25+,26+,27-,28-,31+,32-,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@]4(O)CC3=CC[C@]12C)N(C)C,C33H50N2O2,pos_1_1proton1methanol,506.38722884,QYYVJMYMRMHFOG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 9853,5989,-1,,,,0.46426338,ISDB,YXNKOCZXAVTXTG-UHFFFAOYSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3",COc1cc(C2Oc3c(OC)cc(CC4COC(=O)C4Cc4cc(OC)c5c(c4)C(CO)C(c4ccc(O)c(OC)c4)O5)cc3C2CO)ccc1O,C40H42O12,,714.267626784,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Arctium,465432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Unknown'],3,0,4.857053518295288 9854,5989,-1,,,,0.46426338,ISDB,YXNKOCZXAVTXTG-UHFFFAOYSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3",COc1cc(C2Oc3c(OC)cc(CC4COC(=O)C4Cc4cc(OC)c5c(c4)C(CO)C(c4ccc(O)c(OC)c4)O5)cc3C2CO)ccc1O,C40H42O12,,714.267626784,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Cousinia,597720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Unknown'],3,0,4.857053518295288 9855,5989,-1,,,,0.46426338,ISDB,YXNKOCZXAVTXTG-NYGVLQSXSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(C[C@H]4COC(=O)[C@@H]4Cc4cc(OC)c5c(c4)[C@H](CO)[C@@H](c4ccc(O)c(OC)c4)O5)cc3[C@@H]2CO)ccc1O,C40H42O12,,714.2676267840001,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],3,0,4.857053518295288 9856,5988,-1,,,,0.0,MS1_match,CKMAUJLOUQNVRZ-RQQUZUBOSA-N,"InChI=1S/C20H28O5/c1-12-5-8-15-19(2,9-4-10-20(15,3)18(23)24)14(12)7-6-13-11-16(21)25-17(13)22/h11,14-16,21H,1,4-10H2,2-3H3,(H,23,24)/t14-,15+,16-,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCC1=C[C@@H](O)OC1=O,C20H28O5,pos_1_1sodium,348.193673996,CKMAUJLOUQNVRZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,0,6.0 9857,5988,-1,,,,0.0,MS1_match,QMSWKASVXHXIKB-JUNANHINSA-N,"InChI=1S/C20H28O5/c1-18(2,25)13-8-11-9-15(22)16-19(3,12(11)10-14(13)21)6-5-7-20(16,4)17(23)24/h8-9,12,15-16,22,25H,5-7,10H2,1-4H3,(H,23,24)/t12-,15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=C[C@H](O)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O5,pos_1_1sodium,348.1936739959999,QMSWKASVXHXIKB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 9858,5987,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZJVSTIUIDCVZPW-CLLHIRHQSA-N,"InChI=1S/C30H44N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25,27,33H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,27+,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H44N2O2,pos_1_1proton1isopropanol,464.340278648,ZJVSTIUIDCVZPW,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,2,7.0 9859,5986,897,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.7454863,ISDB,LNCNPVIQJBSDBZ-SANMLTNESA-N,"InChI=1S/C31H22O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-11,13,26,32-36H,12H2,1H3/t26-/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)ccc4O)c3o2)cc1,C31H22O10,,554.121296904,LNCNPVIQJBSDBZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cycas beddomei,944776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cycadales'],['Cycadaceae'],['Unknown'],['Cycas'],['Cycas beddomei'],3,3,7.481945276260376 9860,5985,-1,,,,0.0,MS1_match,SHJJWNZZBFZGIB-GOBYDMEKSA-N,"InChI=1S/C32H50N2O5/c1-10-18(2)30(37)33-28-27(38-20(4)35)17-32(7)25-15-16-31(6)23(19(3)34(8)9)13-14-24(31)22(25)11-12-26(32)29(28)39-21(5)36/h10,13,19,22,24-29H,11-12,14-17H2,1-9H3,(H,33,37)/b18-10+/t19-,22-,24?,25-,26?,27?,28-,29+,31+,32+/m0/s1",C/C=C(\C)C(=O)N[C@H]1C(OC(C)=O)C[C@@]2(C)C(CC[C@H]3C4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)[C@H]1OC(C)=O,C32H50N2O5,pos_2MCa,542.3719727,SHJJWNZZBFZGIB,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 9861,5984,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.69760185,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,3,11.290407419204712 9862,5984,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.69760185,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,11.290407419204712 9863,5983,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SYDMVWLQJZBPIU-UHFFFAOYSA-N,"InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3",CC(=O)OC1C(=O)C2(CO)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,C31H38O12,pos_1_1proton1ethylamine,602.236326656,SYDMVWLQJZBPIU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9864,5982,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8258165,ISDB,CTILMUMVHPOCNU-JTQLQIEISA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,2,8.303266048431396 9865,5982,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8258165,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena,692383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Unknown'],4,2,8.303266048431396 9866,5982,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8258165,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eutrochium fistulosum,681437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eutrochium'],['Eutrochium fistulosum'],4,2,8.303266048431396 9867,5982,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8258165,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,2,8.303266048431396 9868,5982,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8258165,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena glaberrima,7603033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena glaberrima'],4,2,8.303266048431396 9869,5982,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8258165,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis ulicina,7600236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis ulicina'],4,2,8.303266048431396 9870,5981,-1,,,,0.49498588,ISDB,MXPXAZNVQUWDFH-NSISKUIASA-N,"InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O4,,330.18310931199994,MXPXAZNVQUWDFH,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.979943513870239 9871,5980,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.76915455,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix lyallii,693237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix lyallii'],6,2,10.076618194580078 9872,5980,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.76915455,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix laricina,804263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix laricina'],6,2,10.076618194580078 9873,5980,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.76915455,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix occidentalis,994602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix occidentalis'],6,2,10.076618194580078 9874,5979,-1,,,,0.5793087,ISDB,JWSZHXUOIHAACR-UHFFFAOYSA-N,"InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-23-26(24-28)27-25/h15-16,22-24,27H,2-14,17-21H2,1H3",CCCCCCCCCCCCCCC=CCCCCCc1ccc(C=O)[nH]1,C26H45NO,,387.35011506,JWSZHXUOIHAACR,,,,Mycale mytilorum,2837553.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Mycalidae'],['Unknown'],['Mycale'],['Mycale mytilorum'],1,0,3.317234754562378 9875,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CKXBHBNBEFREKT-LTHGSNFJSA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26-,27+,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,pos_1_1proton,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 9876,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ATFWAVIPCBNDCK-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)30(19)32(42-22(4)37)25-18-27(41-21(3)36)20(2)29(34(25,6)7)31(40)33(35)43-23(5)38/h9-15,25-27,30-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,ATFWAVIPCBNDCK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 9877,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LDUCSLMPCQPGFK-UHFFFAOYSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(41-21(3)36)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(39)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CC(O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,LDUCSLMPCQPGFK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9878,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. mairei,388440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus mairei'],6,3,7.5 9879,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 9880,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. chinensis,296254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus chinensis'],6,3,7.5 9881,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 9882,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-FIZZLDPSSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25?,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9883,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. wallichiana,1043652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9884,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. mairei,388440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus mairei'],6,3,7.5 9885,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 9886,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. chinensis,296254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus chinensis'],6,3,7.5 9887,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 9888,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-FIZZLDPSSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25?,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9889,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. wallichiana,1043652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9890,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKCFVSFRWFBJHA-GBCSHTAYSA-N,"InChI=1S/C35H44O9/c1-20-26-18-35(33(6,7)40)19-28(41-22(3)36)21(2)30(35)31(42-23(4)37)32(43-24(5)38)34(26,8)17-16-27(20)44-29(39)15-14-25-12-10-9-11-13-25/h9-15,26-28,31-32,40H,1,16-19H2,2-8H3/b15-14+/t26-,27+,28+,31-,32+,34-,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O,C35H44O9,pos_1_1proton1ethylamine,608.298532988,ZKCFVSFRWFBJHA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 9891,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SOSLCGUOOOQMEN-HNCSRTHDSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,SOSLCGUOOOQMEN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 9892,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SOSLCGUOOOQMEN-HNCSRTHDSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,SOSLCGUOOOQMEN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9893,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MNKBCBWUAFDXSP-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)30(19)31(42-22(4)37)25-18-27(41-21(3)36)20(2)29(34(25,6)7)32(33(35)40)43-23(5)38/h9-15,25-27,30-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,MNKBCBWUAFDXSP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 9894,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CKXBHBNBEFREKT-KJFHCHQESA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26?,27?,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,pos_1_1proton,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 9895,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMEWFKYIRSRYGK-KMEJJDELSA-N,"InChI=1S/C35H44O9/c1-19-26(39)18-25-31(41-21(3)36)30-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-35(30,8)33(43-23(5)38)32(42-22(4)37)29(19)34(25,6)7/h9-13,25,27,30-33H,2,14-18H2,1,3-8H3/t25-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)CCc2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,XMEWFKYIRSRYGK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 9896,5977,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QWAIDSKVFUQONT-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(39)16-17-35(8)30(19)31(41-21(3)36)25-18-27(44-28(40)15-14-24-12-10-9-11-13-24)20(2)29(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,30-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,QWAIDSKVFUQONT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 9897,5976,-1,,,,0.8683867,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],3,0,6.473546743392944 9898,5976,-1,,,,0.8683867,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],3,0,6.473546743392944 9899,5975,-1,,,,0.39522952,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,7.580918073654175 9900,5975,-1,,,,0.39522952,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,7.580918073654175 9901,5975,-1,,,,0.39522952,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,7.580918073654175 9902,5975,-1,,,,0.39522952,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,7.580918073654175 9903,5974,2220,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6021917,ISDB,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.908766746520996 9904,5973,1673,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.74366915,ISDB,PVJKHWJZXRQYBT-CYBMUJFWSA-N,"InChI=1S/C19H24O2/c1-10(2)12-9-11-5-6-13-16-14(7-8-19(13,3)4)21-18(15(11)16)17(12)20/h9-10,13,20H,5-8H2,1-4H3/t13-/m1/s1",CC(C)c1cc2c3c4c(oc3c1O)CCC(C)(C)[C@@H]4CC2,C19H24O2,,284.177630008,PVJKHWJZXRQYBT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia,374096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Unknown'],3,3,7.474676609039307 9905,5972,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.26471245,ISDB,OOXBHKYLJNCZTD-FKLYLFBTSA-N,"InChI=1S/C41H52O2/c1-29(18-14-20-31(3)22-25-37-26-24-33(5)34(6)35(37)7)16-12-13-17-30(2)19-15-21-32(4)23-27-38-36(8)40(42)39(43-11)28-41(38,9)10/h12-27,39H,28H2,1-11H3/b13-12+,18-14+,19-15+,25-22+,27-23+,29-16+,30-17+,31-20+,32-21+/t39-/m1/s1",CO[C@@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2ccc(C)c(C)c2C)=C(C)C1=O,C41H52O2,,576.396730904,OOXBHKYLJNCZTD,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-Χ)",Thorecta,11578.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Thorecta'],['Unknown'],1,1,2.558849811553955 9906,5971,-1,,,,0.0,MS1_match,FKBUODICGDOIGB-PFFFPCNUSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12+,13-,15-/m0/s1",C=C1CC[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H20O3,pos_2MNa,248.1412445,FKBUODICGDOIGB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9907,5971,-1,,,,0.0,MS1_match,PLSSEPIRACGCBO-PFFFPCNUSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H](O)[C@]3(C)CC[C@@H]12,C15H20O3,pos_2MNa,248.1412445,PLSSEPIRACGCBO,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9908,5971,-1,,,,0.0,MS1_match,STUGAIDUQVESQE-WJNVRWDZSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15-/m0/s1",C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)CC[C@@H]12,C15H20O3,pos_2MNa,248.1412445,STUGAIDUQVESQE,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9909,5971,-1,,,,0.0,MS1_match,JNHKVMWTQCZYHK-CVZWCJCVSA-N,"InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O,C15H20O3,pos_2MNa,248.1412445,JNHKVMWTQCZYHK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9910,5971,-1,,,,0.0,MS1_match,RDJAFOWISVMOJY-RMRHIDDWSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13+,15+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C1CC[C@@](C)(O)[C@@H]12,C15H20O3,pos_2MNa,248.1412445,RDJAFOWISVMOJY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9911,5971,-1,,,,0.0,MS1_match,KTEXNACQROZXEV-QLIGOWBFSA-N,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21,C15H20O3,pos_2MNa,248.1412445,KTEXNACQROZXEV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9912,5970,-1,,,,0.0,MS1_match,PLSSEPIRACGCBO-PFFFPCNUSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H](O)[C@]3(C)CC[C@@H]12,C15H20O3,pos_2MHNH3,248.1412445,PLSSEPIRACGCBO,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9913,5970,-1,,,,0.0,MS1_match,FKBUODICGDOIGB-PFFFPCNUSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12+,13-,15-/m0/s1",C=C1CC[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H20O3,pos_2MHNH3,248.1412445,FKBUODICGDOIGB,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9914,5970,-1,,,,0.0,MS1_match,STUGAIDUQVESQE-WJNVRWDZSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15-/m0/s1",C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)CC[C@@H]12,C15H20O3,pos_2MHNH3,248.1412445,STUGAIDUQVESQE,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9915,5970,-1,,,,0.0,MS1_match,JNHKVMWTQCZYHK-CVZWCJCVSA-N,"InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O,C15H20O3,pos_2MHNH3,248.1412445,JNHKVMWTQCZYHK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9916,5970,-1,,,,0.0,MS1_match,KTEXNACQROZXEV-QLIGOWBFSA-N,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21,C15H20O3,pos_2MHNH3,248.1412445,KTEXNACQROZXEV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9917,5970,-1,,,,0.0,MS1_match,RDJAFOWISVMOJY-RMRHIDDWSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13+,15+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C1CC[C@@](C)(O)[C@@H]12,C15H20O3,pos_2MHNH3,248.1412445,RDJAFOWISVMOJY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9918,5967,577,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,JNHKVMWTQCZYHK-CVZWCJCVSA-N,"InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O,C15H20O3,pos_1_1proton1ammonium,248.1412445,JNHKVMWTQCZYHK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 9919,5967,577,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,KTEXNACQROZXEV-QLIGOWBFSA-N,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21,C15H20O3,pos_1_1proton1ammonium,248.1412445,KTEXNACQROZXEV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 9920,5966,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.81914145,ISDB,JNHKVMWTQCZYHK-CVZWCJCVSA-N,"InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O,C15H20O3,,248.1412445,JNHKVMWTQCZYHK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,2,12.276565790176392 9921,5965,1557,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6775775,ISDB,KIZXBPVAPQXAMH-UHFFFAOYSA-N,"InChI=1S/C14H18O/c1-9(2)11-6-7-14(15)12-5-4-10(3)8-13(11)12/h4-5,8-9,11H,6-7H2,1-3H3",Cc1ccc2c(c1)C(C(C)C)CCC2=O,C14H18O,,202.135765196,KIZXBPVAPQXAMH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],4,3,8.210309982299805 9922,5963,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77017653,ISDB,YGZDWJVKOQPZDX-UHFFFAOYSA-N,"InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14)",Cc1cc(C(=O)O)cc2c1CCC2C,C12H14O2,,190.099379688,YGZDWJVKOQPZDX,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,2,8.080706119537354 9923,5962,1366,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,1,8.5 9924,5961,1366,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FVWZTCBBMRXVFJ-QZCRLSDHSA-N,"InChI=1S/C36H36O6/c1-4-7-23-10-14-31(37)27(18-23)29-21-26(13-16-33(29)39)36(41)34(40)22-42-35-17-12-25(9-6-3)20-30(35)28-19-24(8-5-2)11-15-32(28)38/h4-6,10-21,34,36-41H,1-3,7-9,22H2/t34-,36-/m1/s1",C=CCc1ccc(O)c(-c2cc([C@@H](O)[C@H](O)COc3ccc(CC=C)cc3-c3cc(CC=C)ccc3O)ccc2O)c1,C36H36O6,pos_3_3proton,564.251188872,FVWZTCBBMRXVFJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 9925,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,3,8.51831603050232 9926,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],4,3,8.51831603050232 9927,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],4,3,8.51831603050232 9928,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],4,3,8.51831603050232 9929,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.51831603050232 9930,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.51831603050232 9931,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],4,3,8.51831603050232 9932,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],4,3,8.51831603050232 9933,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.51831603050232 9934,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.51831603050232 9935,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],4,3,8.51831603050232 9936,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],4,3,8.51831603050232 9937,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,3,8.51831603050232 9938,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],4,3,8.51831603050232 9939,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],4,3,8.51831603050232 9940,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],4,3,8.51831603050232 9941,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,3,8.51831603050232 9942,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],4,3,8.51831603050232 9943,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],4,3,8.51831603050232 9944,5960,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.754579,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],4,3,8.51831603050232 9945,5959,-1,,,,0.0,MS1_match,JLQQJIWDVGIGMI-GMCHKSTQSA-N,"InChI=1S/C33H30O6/c1-3-5-19-7-10-29(36)23(13-19)25-15-21(9-12-31(25)38)32-28(18-34)27-17-22(35)16-26(33(27)39-32)24-14-20(6-4-2)8-11-30(24)37/h3-4,7-17,28,32,34-38H,1-2,5-6,18H2/t28-,32+/m0/s1",C=CCc1ccc(O)c(-c2cc([C@H]3Oc4c(-c5cc(CC=C)ccc5O)cc(O)cc4[C@@H]3CO)ccc2O)c1,C33H30O6,pos_3_3proton,522.20423868,JLQQJIWDVGIGMI,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 9946,5958,-1,,,,0.6308763,ISDB,BNCIJFGWLKTTGA-UHFFFAOYSA-N,"InChI=1S/C12H12O/c1-9-4-2-5-10-6-3-7-11(13)8-12(9)10/h3-4,6-8H,2,5H2,1H3",CC1=CCCc2cccc(=O)cc21,C12H12O,,172.088815004,BNCIJFGWLKTTGA,Shikimates and Phenylpropanoids,,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],4,0,6.523505210876465 9947,5957,-1,,,,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1methanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 9948,5956,2012,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,0.69817126,ISDB,,,,,,,PJSBZKIKQQHYPD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.792685031890869 9949,5955,-1,,,,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,0,7.0 9950,5955,-1,,,,0.0,MS1_match,YGYNBBAUIYTWBF-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",Cc1ccc2cc(C)ccc2c1,C12H12,pos_1_1proton,156.093900384,YGYNBBAUIYTWBF,,,,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,0,7.0 9951,5949,-1,,,,0.34958282,ISDB,HYHJAMQARBFCBV-ZFXZZAOISA-N,"InChI=1S/C26H32O7/c1-14-16-13-22(5)15(2)26(20(30)32-8,19(29)24(7,31)18(22)28)23(16,6)11-12-25(14)10-9-17(27)33-21(25,3)4/h9-10,31H,2,11-13H2,1,3-8H3/t22-,23-,24-,25-,26-/m1/s1",C=C1[C@@]2(C)CC3=C(C)[C@@]4(C=CC(=O)OC4(C)C)CC[C@@]3(C)[C@@]1(C(=O)OC)C(=O)[C@](C)(O)C2=O,C26H32O7,,456.214803364,HYHJAMQARBFCBV,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],3,0,4.39833128452301 9952,5948,3698,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6186776,ISDB,WUENWZUJMIZJPA-UBTCDGAASA-N,"InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1",C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@H]12)C3,C20H30O3,,318.21949482,WUENWZUJMIZJPA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,2,8.474710464477539 9953,5948,3698,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6186776,ISDB,WUENWZUJMIZJPA-UBTCDGAASA-N,"InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1",C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@H]12)C3,C20H30O3,,318.21949482,WUENWZUJMIZJPA,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,2,8.474710464477539 9954,5947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.73021066,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.42084264755249 9955,5947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.73021066,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.42084264755249 9956,5945,-1,,,,0.65828353,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,0,5.633134126663208 9957,5945,-1,,,,0.65828353,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,0,5.633134126663208 9958,5945,-1,,,,0.65828353,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,0,5.633134126663208 9959,5945,-1,,,,0.65828353,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,0,5.633134126663208 9960,5945,-1,,,,0.65828353,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,0,5.633134126663208 9961,5944,-1,,,,0.49585906,ISDB,TWQIAJPCUCIDQX-WOTMYXIFSA-N,"InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14,16H,1,6-11H2,2-4H3,(H,22,23)/t14-,16+,18-,19+,20+/m0/s1",C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H28O3,,316.203844756,TWQIAJPCUCIDQX,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,8.983436226844788 9962,5943,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.45062816,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.302512645721436 9963,5941,-1,,,,0.43856132,ISDB,MQOMHFMKUJFDBH-OBZTUIKSSA-N,"InChI=1S/C20H26O5/c1-13-6-10-19-11-8-15(20(19,24)12-7-13)18(3,25-17(19)23)9-4-5-14(2)16(21)22/h4-6,9,15,24H,7-8,10-12H2,1-3H3,(H,21,22)/t15-,18+,19+,20-/m0/s1",CC1=CC[C@@]23CC[C@@H]([C@@](C)(C=CC=C(C)C(=O)O)OC2=O)[C@@]3(O)CC1,C20H26O5,,346.178023932,MQOMHFMKUJFDBH,Terpenoids,,,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,0,6.754245281219482 9964,5941,-1,,,,0.43856132,ISDB,MQOMHFMKUJFDBH-OBZTUIKSSA-N,"InChI=1S/C20H26O5/c1-13-6-10-19-11-8-15(20(19,24)12-7-13)18(3,25-17(19)23)9-4-5-14(2)16(21)22/h4-6,9,15,24H,7-8,10-12H2,1-3H3,(H,21,22)/t15-,18+,19+,20-/m0/s1",CC1=CC[C@@]23CC[C@@H]([C@@](C)(C=CC=C(C)C(=O)O)OC2=O)[C@@]3(O)CC1,C20H26O5,,346.178023932,MQOMHFMKUJFDBH,Terpenoids,,,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.754245281219482 9965,5940,-1,,,,0.6662295,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,5.664917945861816 9966,5939,-1,,,,0.33312848,ISDB,VWMVCDKDDCSCQH-UHFFFAOYSA-N,"InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)",C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3OC1OC(CO)C(O)C(O)C1O)C(C)C,C37H60O9,,648.4237335,VWMVCDKDDCSCQH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Dichomitus squalens,741212.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Dichomitus'],['Dichomitus squalens'],1,0,2.332513928413391 9967,5939,-1,,,,0.33312848,ISDB,VWMVCDKDDCSCQH-ZWNGJGPRSA-N,"InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)/t21-,22-,24-,25-,26+,27+,29-,30+,31-,33-,35-,36-,37+/m1/s1",C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C,C37H60O9,,648.4237335,VWMVCDKDDCSCQH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Laetiporus sulphureus,343979.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Fomitopsidaceae'],['Unknown'],['Laetiporus'],['Laetiporus sulphureus'],1,0,2.332513928413391 9968,5939,-1,,,,0.33312848,ISDB,VWMVCDKDDCSCQH-ZWNGJGPRSA-N,"InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)/t21-,22-,24-,25-,26+,27+,29-,30+,31-,33-,35-,36-,37+/m1/s1",C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C,C37H60O9,,648.4237335,VWMVCDKDDCSCQH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Laetiporus versisporus,741212.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Dichomitus'],['Dichomitus squalens'],1,0,2.332513928413391 9969,5938,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,pos_1_1proton1methanol,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9970,5938,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,pos_1_1proton1methanol,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9971,5938,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OMCZFOUSFSIOAM-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C35H50N2O3,pos_1_1proton1methanol,546.38214346,OMCZFOUSFSIOAM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9972,5937,553,Terpenoids,Steroids,Cardenolides,0.45865557,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.334622263908386 9973,5936,-1,,,,0.5833721,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,5.333488464355469 9974,5935,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.46406108,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,3,7.356244325637817 9975,5934,-1,,,,0.0,MS1_match,CDOYUNMEWKKPNW-CWTMMYFOSA-N,"InChI=1S/C44H50O14/c1-24-31(56-34(49)20-19-29-15-11-9-12-16-29)22-43(41(6,7)51)35(24)36(57-40(50)30-17-13-10-14-18-30)38(54-26(3)46)42(8)32(53-25(2)45)21-33-44(23-52-33,58-28(5)48)37(42)39(43)55-27(4)47/h9-20,31-33,36-39,51H,21-23H2,1-8H3/b20-19+/t31-,32-,33+,36+,37-,38+,39-,42+,43-,44-/m1/s1",CC(=O)O[C@@H]1[C@H]2[C@@]3(OC(C)=O)CO[C@H]3C[C@@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)C2=C(C)[C@H](OC(=O)/C=C/c3ccccc3)C[C@@]21C(C)(C)O,C44H50O14,pos_1_1proton1ethylamine,802.32005628,CDOYUNMEWKKPNW,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 9976,5934,-1,,,,0.0,MS1_match,BEHTXUBGUDGCNQ-UHFFFAOYSA-N,"InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)",CCCCCC(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C,C46H57NO14,pos_1_1proton,847.3779055040001,BEHTXUBGUDGCNQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 9977,5933,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZDWLALGTXWZOEY-UHFFFAOYSA-N,"InChI=1S/C33H42O11/c1-16-22(37)14-24(44-30(39)21-12-10-9-11-13-21)32(8)26(16)28(42-19(4)35)33(40)15-23(38)17(2)25(31(33,6)7)27(41-18(3)34)29(32)43-20(5)36/h9-13,22-24,26-29,37-38,40H,1,14-15H2,2-8H3",C=C1C(O)CC(OC(=O)c2ccccc2)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H42O11,pos_1_1proton1ammonium,614.2727121639999,ZDWLALGTXWZOEY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9978,5933,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OVMSOCFBDVBLFW-VHLOTGQHSA-N,"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,C31H38O11,pos_1_1proton1ethylamine,586.2414120359999,OVMSOCFBDVBLFW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9979,5933,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OVMSOCFBDVBLFW-VHLOTGQHSA-N,"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,C31H38O11,pos_1_1proton1ethylamine,586.2414120359999,OVMSOCFBDVBLFW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 9980,5932,-1,,,,0.27325603,ISDB,VFLDPWHFBUODDF-UHFFFAOYSA-N,"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3",COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,C21H20O6,,368.1259883599999,VFLDPWHFBUODDF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,7.093024134635925 9981,5931,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1isopropanol,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 9982,5930,-1,,,,0.0,MS1_match,LLECJKCNZWHQRD-WRNUKHMMSA-N,"InChI=1S/C39H58O4/c1-26(2)10-9-22-39(8,42)30-19-24-37(6)29(30)16-17-32-36(5)23-21-33(35(3,4)31(36)20-25-38(32,37)7)43-34(41)18-13-27-11-14-28(40)15-12-27/h10-15,18,29-33,40,42H,9,16-17,19-25H2,1-8H3/b18-13+/t29-,30+,31+,32-,33+,36+,37-,38-,39+/m1/s1",CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@@H]3CC[C@]12C,C39H58O4,pos_2_2proton,590.433510336,LLECJKCNZWHQRD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 9983,5929,3512,Terpenoids,Sesquiterpenoids,Oleanane triterpenoids,0.0,MS1_match,VTZCFEUQVQTSSV-LVNUYWAMSA-N,"InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,30-,31+,32+,33-/m0/s1",COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,C33H52O4,pos_2_1proton1sodium,512.386560144,VTZCFEUQVQTSSV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],7,3,8.5 9984,5928,3512,Terpenoids,Sesquiterpenoids,Oleanane triterpenoids,0.68009686,ISDB,MVHBVDNSPYDKJQ-UHFFFAOYSA-N,"InChI=1S/C15H22O3/c1-10(16)18-9-11-4-5-14-12(6-11)7-13(17)8-15(14,2)3/h6-7,13-14,17H,4-5,8-9H2,1-3H3",CC(=O)OCC1=CC2=CC(O)CC(C)(C)C2CC1,C15H22O3,,250.156894564,MVHBVDNSPYDKJQ,Terpenoids,Sesquiterpenoids,,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,2,7.7203874588012695 9985,5927,-1,,,,0.75401497,ISDB,PUPACQJMSZEBOJ-CEFVDNRUSA-N,"InChI=1S/C15H20O2/c1-8-5-10(16)12-11(8)13(17)14(2,3)6-9-7-15(9,12)4/h8-9H,5-7H2,1-4H3/t8-,9+,15-/m1/s1",C[C@@H]1CC(=O)C2=C1C(=O)C(C)(C)C[C@H]1C[C@@]21C,C15H20O2,,232.14632988,PUPACQJMSZEBOJ,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Lippia integrifolia,812012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lippia'],['Lippia integrifolia'],4,0,7.016059875488281 9986,5926,-1,,,,0.7059134,ISDB,PSJUKNBMBYBQSO-IKKZXAHCSA-N,"InChI=1S/C13H18O/c1-8-3-4-11-12(14)9(2)10-5-6-13(8,11)7-10/h8,10-11H,2-7H2,1H3/t8-,10+,11?,13-/m0/s1",C=C1C(=O)C2CC[C@H](C)[C@@]23CC[C@@H]1C3,C13H18O,,190.135765196,PSJUKNBMBYBQSO,Terpenoids,Sesquiterpenoids,,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],4,0,6.823653697967529 9987,5924,332,Terpenoids,Diterpenoids,Abietane diterpenoids,0.56026727,ISDB,RWWVEQKPFPXLGL-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C20H30O2,,302.2245802,RWWVEQKPFPXLGL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nebrodensis,876310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nebrodensis'],6,3,9.741069078445435 9988,5923,1875,Terpenoids,Diterpenoids,Androstane steroids,0.574517,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,2,9.298068046569824 9989,5922,1120,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,RDJAFOWISVMOJY-RMRHIDDWSA-N,"InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13+,15+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C1CC[C@@](C)(O)[C@@H]12,C15H20O3,pos_1_1proton1ethylamine,248.1412445,RDJAFOWISVMOJY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 9990,5920,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.7025531,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],3,3,7.3102123737335205 9991,5919,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6863103,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.245241165161133 9992,5918,-1,,,,0.6828907,ISDB,YHRUHBBTQZKMEX-YFVJMOTDSA-N,"InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=O,C15H24O,,220.182715388,YHRUHBBTQZKMEX,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],5,0,7.731562852859497 9993,5917,2903,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.4249268,ISDB,JRNGVSOQBPCIQW-HNAYVOBHSA-N,"InChI=1S/C19H20O6/c1-9-16(23-3)10(2)18-13(17(9)24-4)14(21)15(22)19(25-18)11-5-7-12(20)8-6-11/h5-8,15,19-20,22H,1-4H3/t15-,19+/m0/s1",COc1c(C)c(OC)c2c(c1C)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O,C19H20O6,,344.12598836,JRNGVSOQBPCIQW,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],5,2,7.6997071504592896 9994,5915,-1,,,,0.0,MS1_match,SYWTYRLIJCHSLJ-UHFFFAOYSA-N,"InChI=1S/C15H14O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-5,8H,6H2,1-3H3",CC1=C2OCC(C)c3ccc(C)c(c32)C(=O)C1=O,C15H14O3,pos_1_1proton,242.094294308,SYWTYRLIJCHSLJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,0,6.0 9995,5914,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 9996,5914,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,3,8.5 9997,5914,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KQFUXLQBMQGNRT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1,C18H16O7,pos_1_1proton,344.0896028519999,KQFUXLQBMQGNRT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,3,8.5 9998,5913,2220,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8107996,ISDB,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.74319839477539 9999,5909,1121,Polyketides,Pseudoalkaloids,N-acyl amines,0.5582113,ISDB,AYPYUZXAFNVUEC-UHFFFAOYSA-N,"InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3",CCCCCCCCCCCCCCCCCCc1[nH]c2ccccc2c1O,C26H43NO,,385.334464996,AYPYUZXAFNVUEC,Polyketides,Aromatic polyketides,Catechols with side chains,Allium fistulosum,856720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium fistulosum'],4,1,6.732845306396484 10000,5908,-1,,,,0.74947405,ISDB,INUWBHWKAMVTNU-UHFFFAOYSA-N,"InChI=1S/C13H14/c1-3-12-10(2)8-9-11-6-4-5-7-13(11)12/h4-9H,3H2,1-2H3",CCc1c(C)ccc2ccccc12,C13H14,,170.109550448,INUWBHWKAMVTNU,Shikimates and Phenylpropanoids,,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],4,0,6.997896194458008 10001,5907,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.51477545,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.059101819992065 10002,5905,-1,,,,0.0,MS1_match,QSCIDKJZGZYKSP-KCCIQLONSA-N,"InChI=1S/C44H48O15/c1-24-32(59-35(50)19-18-29-14-10-8-11-15-29)21-34(55-25(2)45)43(23-53-40(51)30-16-12-9-13-17-30)36(24)37(56-26(3)46)31-20-33(49)42(7)44(52,41(31,6)22-54-42)39(58-28(5)48)38(43)57-27(4)47/h8-19,31-32,34,36-39,52H,1,20-23H2,2-7H3/b19-18+/t31-,32-,34-,36-,37+,38-,39-,41-,42+,43+,44-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C44H48O15,pos_1_1proton1ethylamine,816.299320836,QSCIDKJZGZYKSP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10003,5904,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.537691,ISDB,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.650763988494873 10004,5903,891,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.42193303,ISDB,TVDMUSYVWJLIDK-VZJVUDMVSA-N,"InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13-,15+/m0/s1",CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C,C15H22O2,,234.161979944,TVDMUSYVWJLIDK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],5,2,7.687732100486755 10005,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 10006,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,1,6.5 10007,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 10008,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-JTHNCSCQSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17+,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@H]1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 10009,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 10010,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-BUFXCDORSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 10011,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 10012,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 10013,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,1,6.5 10014,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 10015,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-JTHNCSCQSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17+,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@H]1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 10016,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 10017,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-BUFXCDORSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 10018,5900,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 10019,5896,-1,,,,0.0,MS1_match,BZORLJPADUHVJE-QWBBESJSSA-N,"InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C39H54O7,pos_1_minus1proton1calcium,634.386954068,BZORLJPADUHVJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 10020,5895,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6497448,ISDB,DAQJYUCPSHWKIR-RCOKLKMLSA-N,"InChI=1S/C25H35NO/c1-6-16-12-25-14-19(25)17-13-24(11-9-21(26-5)22(24,2)3)10-7-8-18(17)23(25,4)15-20(16)27/h7-8,10,13,16,19,21,26H,6,9,11-12,14-15H2,1-5H3/t16-,19+,21-,23-,24-,25+/m0/s1",CC[C@H]1C[C@@]23C[C@@H]2C2=C[C@]4(C=CC=C2[C@]3(C)CC1=O)CC[C@H](NC)C4(C)C,C25H35NO,,365.27186474,DAQJYUCPSHWKIR,Terpenoids,Diterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.598979234695435 10021,5894,-1,,,,0.2734292,ISDB,GTEJJXOFLPCZGJ-DOFPOEDPSA-N,"InChI=1S/C26H32O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,17,28H,1,9-11H2,2-8H3/t13-,17-,23-,24+,25-,26-/m1/s1",C=C1C[C@H]2[C@@](C)(C(=O)C(O)=C3C(C)(C)C(=O)CC[C@@]32C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C,C26H32O8,,472.209717984,GTEJJXOFLPCZGJ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Mallotus nudiflorus,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],3,0,4.093716740608215 10022,5894,-1,,,,0.2734292,ISDB,GTEJJXOFLPCZGJ-UHFFFAOYSA-N,"InChI=1S/C26H32O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,17,28H,1,9-11H2,2-8H3",C=C1CC2C3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)C2(C)C2C(=O)OC(C)(C(=O)OC)C(=O)C12C,C26H32O8,,472.209717984,GTEJJXOFLPCZGJ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Trewia nudiflora,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],3,0,4.093716740608215 10023,5893,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.5081369,ISDB,CZXDAISNLIWUGZ-SLTPAVSLSA-N,"InChI=1S/C40H58O2/c1-10-36(5)20-21-39(8)29(25-36)14-19-38(7)26(2)34(42)28(22-32(38)39)23-33(41)37(6)18-15-30-27(24-37)12-13-31-35(3,4)16-11-17-40(30,31)9/h10,22,24,29-32H,1-2,11-21,23,25H2,3-9H3/t29-,30-,31-,32-,36-,37+,38+,39-,40+/m1/s1",C=C[C@]1(C)CC[C@]2(C)[C@H](CC[C@@]3(C)C(=C)C(=O)C(CC(=O)[C@]4(C)C=C5CC[C@@H]6C(C)(C)CCC[C@@]6(C)[C@@H]5CC4)=C[C@@H]23)C1,C40H58O2,,570.443681096,CZXDAISNLIWUGZ,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Ceriops tagal,163833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Ceriops'],['Ceriops tagal'],4,1,6.53254771232605 10024,5892,450,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.53840977,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,3,6.653639078140259 10025,5890,891,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.0,MS1_match,XPXCWUPURKUWHC-RYUDHWBXSA-N,"InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H24O3,pos_1_1proton,252.172544628,XPXCWUPURKUWHC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,2,8.0 10026,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],3,0,6.564873695373535 10027,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],3,0,6.564873695373535 10028,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],3,0,6.564873695373535 10029,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],3,0,6.564873695373535 10030,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],3,0,6.564873695373535 10031,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],3,0,6.564873695373535 10032,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],3,0,6.564873695373535 10033,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],3,0,6.564873695373535 10034,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],3,0,6.564873695373535 10035,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],3,0,6.564873695373535 10036,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],3,0,6.564873695373535 10037,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],3,0,6.564873695373535 10038,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],3,0,6.564873695373535 10039,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],3,0,6.564873695373535 10040,5889,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.8912184,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],3,0,6.564873695373535 10041,5887,-1,,,,0.7181138,ISDB,MLXSCOQFYJPFNW-UHFFFAOYSA-N,"InChI=1S/C8H12N5O/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3/h4H,1-3H3,(H2,9,10,11,14)",CN=c1nc(O)c2c([nH]1)N(C)[CH]N2C,C8H12N5O,,194.104185004,MLXSCOQFYJPFNW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Heterostemma brownii,300835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Ceropegieae'],['Heterostemma'],['Heterostemma brownii'],4,0,6.87245512008667 10042,5885,2514,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4484937,ISDB,PTQFIYQNKVSVGM-GUDVDZBRSA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.293974757194519 10043,5885,2514,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4484937,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.293974757194519 10044,5883,-1,,,,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10045,5883,-1,,,,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10046,5883,-1,,,,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ethylamine,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10047,5883,-1,,,,0.0,MS1_match,NNPJVZHKKMTATL-GQZIMJKVSA-N,"InChI=1S/C39H53NO10/c1-21-29-17-28-18-31(46-23(3)41)22(2)35(38(28,7)8)36(48-25(5)43)37(49-26(6)44)39(29,9)33(47-24(4)42)20-32(21)50-34(45)19-30(40(10)11)27-15-13-12-14-16-27/h12-16,28-33,36-37H,1,17-20H2,2-11H3/t28-,29-,30?,31+,32+,33+,36-,37+,39+/m1/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C39H53NO10,pos_1_1proton,695.366946896,NNPJVZHKKMTATL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10048,5881,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5107504,ISDB,,,,,,,VIMZHTFJEDRKBC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.043001651763916 10049,5880,-1,,,,0.6797377,ISDB,ROWAYMVYPPFJTI-DNUFPCGRSA-N,"InChI=1S/C20H30O3/c1-5-17(2)10-7-14-18(3)8-6-9-19(4)15(18)13(23-16(19)21)11-20(14,22)12-17/h5,13-15,22H,1,6-12H2,2-4H3/t13-,14+,15+,17-,18+,19+,20-/m0/s1",C=C[C@@]1(C)CC[C@H]2[C@](O)(C[C@@H]3OC(=O)[C@]4(C)CCC[C@@]2(C)[C@@H]34)C1,C20H30O3,,318.21949482,ROWAYMVYPPFJTI,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Tetraclinis articulata,194278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Tetraclinis'],['Tetraclinis articulata'],5,0,7.7189507484436035 10050,5879,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FLBNRACKRBUYNP-UHFFFAOYSA-N,"InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3",CC(=O)OCC1=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C,C41H50O14,pos_1_1proton1ethylamine,766.32005628,FLBNRACKRBUYNP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10051,5879,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FLBNRACKRBUYNP-AHLSXCLRSA-N,"InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3/b17-16+,31-18+,39-23-/t32-,33-,34-,35-,36-,40+/m0/s1",CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C41H50O14,pos_1_1proton1ethylamine,766.32005628,FLBNRACKRBUYNP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10052,5878,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.6439458,ISDB,SGHXLRHVQDPMOF-LUKYLMHMSA-N,"InChI=1S/C19H30N2O3/c1-3-4-5-7-15-11-17(24-19(22)18-8-6-9-20-18)12-16-10-14(2)23-13-21(15)16/h6,8-9,14-17,20H,3-5,7,10-13H2,1-2H3/t14-,15-,16-,17+/m0/s1",CCCCC[C@H]1C[C@@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@H](C)OCN21,C19H30N2O3,,334.22564282,SGHXLRHVQDPMOF,Alkaloids,Lysine alkaloids,,Hyperaspis campestris,3355390.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Coccinellidae'],['Hyperaspidini'],['Hyperaspis'],['Hyperaspis campestris'],1,2,4.5757832527160645 10053,5876,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.39763817,ISDB,NBCVECUGDUAJNM-UHFFFAOYSA-N,"InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-27-32-26-24-28-21-19-20-22-29(28)32/h19-22,24,26H,2-18,23,25,27H2,1H3,(H,31,33)",CCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2ccccc21,C30H50N2O,,454.39231422,NBCVECUGDUAJNM,Fatty acids,Fatty amides,N-acyl amines,Annona mucosa,1092024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona mucosa'],4,0,5.5905526876449585 10054,5876,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.39763817,ISDB,NBCVECUGDUAJNM-UHFFFAOYSA-N,"InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-27-32-26-24-28-21-19-20-22-29(28)32/h19-22,24,26H,2-18,23,25,27H2,1H3,(H,31,33)",CCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2ccccc21,C30H50N2O,,454.39231422,NBCVECUGDUAJNM,Fatty acids,Fatty amides,N-acyl amines,Annonaceae,98426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Unknown'],['Unknown'],4,0,5.5905526876449585 10055,5873,1455,Terpenoids,Diterpenoids,Cassane diterpenoids,0.47105363,ISDB,VUPLMTRSSLQGTH-CSWQOCPLSA-N,"InChI=1S/C24H32O7/c1-13-17(28-14(2)25)10-22(4)19(6-7-20-23(22,5)31-20)24(13)11-18(16-8-9-27-12-16)30-21(24)29-15(3)26/h8-9,12-13,17-21H,6-7,10-11H2,1-5H3/t13-,17+,18+,19+,20?,21?,22-,23+,24-/m0/s1",CC(=O)OC1O[C@@H](c2ccoc2)C[C@@]12[C@@H](C)[C@H](OC(C)=O)C[C@@]1(C)[C@H]2CCC2O[C@]21C,C24H32O7,,432.214803364,VUPLMTRSSLQGTH,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Croton nitens,939537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton nitens'],3,2,5.884214520454407 10056,5873,1455,Terpenoids,Diterpenoids,Cassane diterpenoids,0.47105363,ISDB,VUPLMTRSSLQGTH-GEAAEATKSA-N,"InChI=1S/C24H32O7/c1-13-17(28-14(2)25)10-22(4)19(6-7-20-23(22,5)31-20)24(13)11-18(16-8-9-27-12-16)30-21(24)29-15(3)26/h8-9,12-13,17-21H,6-7,10-11H2,1-5H3/t13-,17-,18-,19+,20-,21-,22-,23-,24-/m1/s1",CC(=O)O[C@@H]1O[C@@H](c2ccoc2)C[C@]12[C@H](C)[C@H](OC(C)=O)C[C@]1(C)[C@@H]2CC[C@H]2O[C@]21C,C24H32O7,,432.2148033639999,VUPLMTRSSLQGTH,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],3,2,5.884214520454407 10057,5871,1121,Polyketides,Pseudoalkaloids,N-acyl amines,0.5207426,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.582970380783081 10058,5870,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.23490128,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,3.9396051168441772 10059,5868,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.67581743,ISDB,NOOITFNOZPQNCR-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(39)40)16-14-32(4)20(21(35)17-30)7-8-24-31(3)11-10-26(34(6,41)25(31)9-12-33(24,32)5)43-19-23-28(38)27(37)22(36)18-42-23/h7,21-28,36-38,41H,8-19H2,1-6H3,(H,39,40)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OCC6OCC(O)C(O)C6O)C(C)(O)C5CCC43C)C2C1,C35H56O8,,604.3975187519998,NOOITFNOZPQNCR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla dahurica,972663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla dahurica'],4,1,7.203269720077515 10060,5867,273,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,YCIMNLLNPGFGHC-UHFFFAOYSA-N,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",Oc1ccccc1O,C6H6O2,pos_2MH,110.036779432,YCIMNLLNPGFGHC,Shikimates and Phenylpropanoids,,,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,1,6.5 10061,5865,635,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.62611634,ISDB,OXKJXQWUKRTLGT-QGZVFWFLSA-N,"InChI=1S/C19H26O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h6,10-12,17,20H,5,7-9H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2,C19H26O,,270.198365452,OXKJXQWUKRTLGT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,3,7.004465341567993 10062,5864,-1,,,,0.0,MS1_match,ZJVSTIUIDCVZPW-CLLHIRHQSA-N,"InChI=1S/C30H44N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25,27,33H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,27+,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H44N2O2,pos_1_1proton1isopropanol,464.340278648,ZJVSTIUIDCVZPW,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,0,6.0 10063,5863,-1,,,,0.0,MS1_match,QBAITYMIZWFOLG-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,24-5)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)23/h8-9,13,17H,6-7,10-12H2,1-5H3,(H,22,23)/t17-,20-,21-/m1/s1",COC(C)(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C21H30O3,pos_1_1proton,330.21949482,QBAITYMIZWFOLG,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 10064,5863,-1,,,,0.0,MS1_match,IGUDTNVZIOWVIV-DUXKGJEZSA-N,"InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12,C21H30O3,pos_1_1proton,330.21949482,IGUDTNVZIOWVIV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 10065,5862,-1,,,,0.0,MS1_match,ANHLKXBWFSLYAB-VXSCMTMISA-N,"InChI=1S/C20H30O4/c1-12-6-8-14-13(16(12)17(21)22)7-9-15-19(14,2)10-5-11-20(15,3)18(23)24-4/h12,14-15H,5-11H2,1-4H3,(H,21,22)/t12-,14-,15+,19+,20+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C(C(=O)O)[C@@H](C)CC[C@@H]12,C20H30O4,pos_1_1sodium,334.21440943999994,ANHLKXBWFSLYAB,Terpenoids,Diterpenoids,Cassane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10066,5862,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10067,5862,-1,,,,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1sodium,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10068,5862,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10069,5862,-1,,,,0.0,MS1_match,QYCOHMYDSOZCQD-MVSANXGASA-N,"InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1",C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O,C20H30O4,pos_1_1sodium,334.21440944,QYCOHMYDSOZCQD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10070,5861,802,Fatty acids,Fatty amides,N-acyl amines,0.582756,ISDB,JWSZHXUOIHAACR-UHFFFAOYSA-N,"InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-23-26(24-28)27-25/h15-16,22-24,27H,2-14,17-21H2,1H3",CCCCCCCCCCCCCCC=CCCCCCc1ccc(C=O)[nH]1,C26H45NO,,387.35011506,JWSZHXUOIHAACR,,,,Mycale mytilorum,2837553.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Mycalidae'],['Unknown'],['Mycale'],['Mycale mytilorum'],1,0,3.331023931503296 10071,5857,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.68038994,ISDB,,,,,,,IAUNGVSVIFGAIX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.721559762954712 10072,5855,1708,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.66755456,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.170218229293823 10073,5853,-1,,,,0.7809767,ISDB,UPGREHAFOATQFI-GGURZLOHSA-N,"InChI=1S/C19H28O3/c1-11(2)19-9-6-13-12(16(19)22-19)10-14(20)15-17(13,3)7-5-8-18(15,4)21/h10-11,13,15-16,21H,5-9H2,1-4H3/t13-,15+,16-,17+,18-,19-/m0/s1",CC(C)[C@@]12CC[C@H]3C(=CC(=O)[C@@H]4[C@]3(C)CCC[C@]4(C)O)[C@@H]1O2,C19H28O3,,304.203844756,UPGREHAFOATQFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,8.12390685081482 10074,5852,-1,,,,0.26319036,ISDB,SERPESJFVFFAKV-QRVBRYPASA-N,"InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(OO)CCC[C@]21C,C19H28O2,,288.208930136,SERPESJFVFFAKV,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,6.052761435508728 10075,5851,-1,,,,0.4705147,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,7.88205885887146 10076,5850,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3372714,ISDB,ZUFDWKUXJOZMLK-KYDIXZHGSA-N,"InChI=1S/C24H34O7/c1-14-5-8-18-23(2,3)22(29)17(31-20(27)10-9-19(25)26)12-24(18,4)16(14)7-6-15-11-21(28)30-13-15/h5,11,16-18,22,29H,6-10,12-13H2,1-4H3,(H,25,26)/t16-,17+,18+,22+,24+/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CCC1=CC(=O)OC1,C24H34O7,,434.230453428,ZUFDWKUXJOZMLK,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pteronioides,3898913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis pteronioides'],3,3,5.849085569381714 10077,5849,-1,,,,0.5658322,ISDB,USNFPPCRYZXOPG-NZMLZKADSA-N,"InChI=1S/C21H28O5/c1-12-13-5-6-14-20(11-26-18(23)21(14,9-13)16(12)22)8-4-7-19(2)10-25-17(24-3)15(19)20/h13-15,17H,1,4-11H2,2-3H3/t13-,14+,15-,17-,19+,20-,21+/m1/s1",C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@@H](OC)[C@H]21)COC3=O,C21H28O5,,360.1936739959999,USNFPPCRYZXOPG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Isodon rubescens,285439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rubescens'],3,0,5.263328790664673 10078,5848,-1,,,,0.5149264,ISDB,CFJWRSMUQIAHTA-ZMHJYQQXSA-N,"InChI=1S/C20H28O5/c1-12(2)19-8-9-20(25-24-19)13(11-19)14(21)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h11-12,15H,5-10H2,1-4H3,(H,22,23)/t15-,17+,18-,19+,20-/m0/s1",CC(C)[C@]12C=C3C(=O)C[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@]3(CC1)OO2,C20H28O5,,348.1936739959999,CFJWRSMUQIAHTA,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,7.059705495834351 10079,5845,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10080,5845,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10081,5845,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10082,5845,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 10083,5844,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4296711,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.218684434890747 10084,5843,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SLJNSLIEGINNEE-UHFFFAOYSA-N,"InChI=1S/C37H44O11/c1-19-27(42)17-26-33(45-22(4)39)32-20(2)28(48-30(43)16-15-25-13-11-10-12-14-25)18-29(44-21(3)38)37(32,9)35(47-24(6)41)34(46-23(5)40)31(19)36(26,7)8/h10-16,26,28-29,32-35H,2,17-18H2,1,3-9H3",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(C(OC(C)=O)C12)C3(C)C,C37H44O11,pos_1_1proton1ethylamine,664.288362228,SLJNSLIEGINNEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10085,5841,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.2980889,ISDB,MBZYQIZHDWRHKZ-CIGOLHFESA-N,"InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(37(7,8)46)20-30(47-23(3)41)22(2)32(39)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28-,29+,30+,33+,34-,35+,36+,38-,39+/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C39H53NO11,,711.361861516,MBZYQIZHDWRHKZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.692355632781982 10086,5840,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.5969513,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,3,7.887805223464966 10087,5840,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.5969513,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,3,7.887805223464966 10088,5840,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.5969513,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema furfuracea,5700083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema furfuracea'],4,3,7.887805223464966 10089,5839,-1,,,,0.5534667,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,5.213866710662842 10090,5838,-1,,,,0.624603,ISDB,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,9.498411893844604 10091,5836,1336,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.349321,ISDB,HSOIPJLINDKQOV-USSGTKPGSA-N,"InChI=1S/C40H56O2/c1-30(19-13-20-32(3)23-28-40-37(7,8)25-16-27-39(40,10)42-40)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)41-34/h11-14,17-23,28-29,34H,15-16,24-27H2,1-10H3/b12-11+,19-13+,21-14+,28-23+,30-17+,31-18+,32-20+,33-22-",C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C12OC1(C)CCCC2(C)C)C1C=C2C(C)(C)CCCC2(C)O1,C40H56O2,,568.428031032,HSOIPJLINDKQOV,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Ipomoea batatas,1071040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea batatas'],4,0,5.397284030914307 10092,5835,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5427537,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.671014785766602 10093,5834,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6117564,ISDB,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.947025537490845 10094,5832,1200,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.5462778,ISDB,ZDCYNELOZAGMDN-ZLMYTBRYSA-N,"InChI=1S/C28H52N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-27(36)22(33)20-37-28-24(30-21(2)32)26(35)25(34)23(19-31)38-28/h9-10,22-26,28,31,33-35H,3-8,11-20H2,1-2H3,(H,29,36)(H,30,32)/b10-9-/t22-,23-,24-,25-,26-,28+/m1/s1",CCCCCCC/C=C\CCCCCCCCNC(=O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O,C28H52N2O8,,544.372366624,ZDCYNELOZAGMDN,,,,Deinococcus,563951.0,['Bacteria'],['Unknown'],['Deinococcus-Thermus'],['Deinococci'],['Deinococcales'],['Deinococcaceae'],['Unknown'],['Deinococcus'],['Unknown'],0,0,2.1851112842559814 10095,5831,-1,,,,0.0,MS1_match,UJARNTWLSVMUJF-HHNKTFFCSA-N,"InChI=1S/C37H49NO9/c1-20-28(42)18-26-33(44-22(3)39)32-21(2)29(47-30(43)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(32,8)35(46-24(5)41)34(45-23(4)40)31(20)36(26,6)7/h11-15,26-27,29,32-35H,2,16-19H2,1,3-10H3/t26-,27+,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO9,pos_1_1proton,651.340732148,UJARNTWLSVMUJF,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10096,5830,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VOCCEXYYFSFZJI-DQFGODPVSA-N,"InChI=1S/C29H48N2/c1-19(2)30-20(3)23-15-17-29(7)25-12-11-24-21(18-22(25)14-16-28(23,29)6)10-13-26(31(8)9)27(24,4)5/h10,18,20,23-26H,11-17H2,1-9H3/t20-,23+,24+,25+,26+,28+,29-/m0/s1",CC(C)=N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H](N(C)C)C4(C)C)C=C3CC[C@]12C,C29H48N2,pos_1_1proton1methanol,424.381749536,VOCCEXYYFSFZJI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10097,5829,120,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.59112084,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,6.86448335647583 10098,5823,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1isopropanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10099,5823,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1isopropanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10100,5823,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1methanol,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10101,5822,-1,,,,0.53751326,ISDB,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.150053024291992 10102,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 10103,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 10104,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,0,8.0 10105,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 10106,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 10107,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 10108,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 10109,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 10110,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 10111,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 10112,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus myrtifolia,302846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus myrtifolia'],8,0,8.0 10113,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 10114,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-MXNNCRBYSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1",N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,0,8.0 10115,5820,-1,,,,0.0,MS1_match,UDBHJDTXPDRDNS-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-8,18-19H,1-2H3",COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(O)c3)oc2c1,C17H14O6,pos_1_1proton,314.07903816799995,UDBHJDTXPDRDNS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 10116,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 10117,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 10118,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 10119,5820,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 10120,5818,-1,,,,0.0,MS1_match,MBBVSKBTNJDURZ-NQLMQOPMSA-N,"InChI=1S/C17H28O5/c1-10(9-22-11(2)18)12-5-7-16(3,20)13-6-8-17(4,21)14(13)15(12)19/h12-15,19-21H,1,5-9H2,2-4H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(COC(C)=O)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@@](C)(O)[C@@H]2[C@H]1O,C17H28O5,pos_1_1proton1acetonitrile,312.193673996,MBBVSKBTNJDURZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 10121,5817,577,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,LVTLWUXRARHGCA-WHRXGGIHSA-N,"InChI=1S/C15H20O5/c1-8-4-5-10-9(2)14(16)18-12(10)13-15(3,19-13)7-6-11(8)20-17/h10-13,17H,1-2,4-7H2,3H3/t10-,11+,12-,13-,15+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@]2(C)CC[C@H]1OO,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LVTLWUXRARHGCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 10122,5816,-1,,,,0.0,MS1_match,KIKNIHBRBBRNQJ-MIRKDALQSA-N,"InChI=1S/C27H41NO2/c1-17(29)21-12-14-27(5)23-9-8-22-19(15-20(23)11-13-26(21,27)4)7-10-24-25(22,3)16-30-18(2)28(24)6/h11,15,18,21-24H,7-10,12-14,16H2,1-6H3/t18-,21+,22-,23-,24-,25-,26-,27+/m1/s1",CC(=O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H]1N(C)[C@@H](C)OC[C@]41C,C27H41NO2,pos_1_1proton1methanol,411.313729552,KIKNIHBRBBRNQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 10123,5815,452,Terpenoids,Steroids,Steroidal alkaloids,0.6252487,ISDB,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.000994682312012 10124,5814,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VVMABQZMSXOGOO-ARASHVSRSA-N,"InChI=1S/C33H42O7/c1-19-25-17-24-18-27(38-21(3)34)20(2)29(32(24,5)6)30(39-22(4)35)31(37)33(25,7)16-15-26(19)40-28(36)14-13-23-11-9-8-10-12-23/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C,C33H42O7,pos_1_1proton1ethylamine,550.2930536839999,VVMABQZMSXOGOO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10125,5814,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,GJHAFDSYCIJBTO-ARASHVSRSA-N,"InChI=1S/C33H42O7/c1-19-25-17-24-18-27(39-22(4)35)20(2)29(32(24,5)6)30(37)31(33(25,7)16-15-26(19)38-21(3)34)40-28(36)14-13-23-11-9-8-10-12-23/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s1",C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](O)[C@@H]2OC(=O)/C=C/c2ccccc2)C1(C)C,C33H42O7,pos_1_1proton1ethylamine,550.293053684,GJHAFDSYCIJBTO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10126,5814,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OIDROLNPPXXFPD-UHFFFAOYSA-N,"InChI=1S/C33H42O7/c1-19-25-17-24-18-27(39-22(4)35)20(2)29(32(24,5)6)30(40-28(36)14-13-23-11-9-8-10-12-23)31(37)33(25,7)16-15-26(19)38-21(3)34/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3",C=C1C(OC(C)=O)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(=O)C=Cc3ccccc3)C2O)C1(C)C,C33H42O7,pos_1_1proton1ethylamine,550.2930536839999,OIDROLNPPXXFPD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10127,5813,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.22507143,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,2,7.900285720825195 10128,5811,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.4278907,ISDB,,,,,,,LTJHPXRYGYBCCG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7115627527236938 10129,5810,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,AXDCYYBJKVWQML-UWGXVUJWSA-N,"InChI=1S/C30H46N2O3/c1-18(32(4)5)21-13-14-22-20-11-12-24-27(34)26(31-28(35)19-9-7-6-8-10-19)25(33)17-30(24,3)23(20)15-16-29(21,22)2/h6-10,18,20-27,33-34H,11-17H2,1-5H3,(H,31,35)/t18-,20-,21+,22-,23-,24-,25+,26+,27-,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@H](NC(=O)c5ccccc5)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O3,pos_2MCa,482.350843332,AXDCYYBJKVWQML,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,2,7.0 10130,5808,1112,,,,0.54623264,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1849305629730225 10131,5807,1090,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,pos_2_2proton,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10132,5807,1090,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,pos_2_2proton,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10133,5807,1090,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OMCZFOUSFSIOAM-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C35H50N2O3,pos_2_2proton,546.38214346,OMCZFOUSFSIOAM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10134,5806,452,Terpenoids,Steroids,Steroidal alkaloids,0.32121336,ISDB,HFJICIWUJLLENY-UHFFFAOYSA-N,"InChI=1S/C36H52O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22-24,26,28-30,32-33,38H,7,13-19,21H2,1-6H3",CCC(CCC(C)C1CCC2C3=CC(=O)C4CC(OC(=O)c5ccccc5)CCC4(C)C3C(O)CC21C)C(C)C,C36H52O4,,548.386560144,HFJICIWUJLLENY,Terpenoids,Steroids,Ecdysteroids,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],4,2,6.284853458404541 10135,5806,452,Terpenoids,Steroids,Steroidal alkaloids,0.32121336,ISDB,HFJICIWUJLLENY-RQLGERNOSA-N,"InChI=1S/C36H52O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22-24,26,28-30,32-33,38H,7,13-19,21H2,1-6H3/t23-,24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(C)C,C36H52O4,,548.386560144,HFJICIWUJLLENY,Terpenoids,Steroids,Ecdysteroids,Alkekengi officinarum,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],4,2,6.284853458404541 10136,5806,452,Terpenoids,Steroids,Steroidal alkaloids,0.32121336,ISDB,HFJICIWUJLLENY-RQLGERNOSA-N,"InChI=1S/C36H52O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22-24,26,28-30,32-33,38H,7,13-19,21H2,1-6H3/t23-,24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(C)C,C36H52O4,,548.386560144,HFJICIWUJLLENY,Terpenoids,Steroids,Ecdysteroids,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],4,2,6.284853458404541 10137,5806,452,Terpenoids,Steroids,Steroidal alkaloids,0.32121336,ISDB,HFJICIWUJLLENY-RQLGERNOSA-N,"InChI=1S/C36H52O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22-24,26,28-30,32-33,38H,7,13-19,21H2,1-6H3/t23-,24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(C)C,C36H52O4,,548.386560144,HFJICIWUJLLENY,Terpenoids,Steroids,Ecdysteroids,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],4,2,6.284853458404541 10138,5806,452,Terpenoids,Steroids,Steroidal alkaloids,0.32121336,ISDB,HFJICIWUJLLENY-RQLGERNOSA-N,"InChI=1S/C36H52O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22-24,26,28-30,32-33,38H,7,13-19,21H2,1-6H3/t23-,24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(C)C,C36H52O4,,548.386560144,HFJICIWUJLLENY,Terpenoids,Steroids,Ecdysteroids,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],4,2,6.284853458404541 10139,5804,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6643795,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,3,11.157517910003662 10140,5804,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6643795,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,11.157517910003662 10141,5803,1842,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.69902307,ISDB,OIFVLHZEBAXHPM-UHFFFAOYSA-N,"InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-35,38H,1H3",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1-c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C31H20O10,,552.10564684,OIFVLHZEBAXHPM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,3,11.29609227180481 10142,5801,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.51382095,ISDB,,,,,,,SUNHQUXJOLNCSX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.055283784866333 10143,5800,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.24033067,ISDB,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.461322665214539 10144,5799,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.39842138,ISDB,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.093685507774353 10145,5796,168,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.58309823,ISDB,,,,,,,OWWJIYCJJLVSON,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.332392930984497 10146,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 10147,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 10148,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 10149,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-JTHNCSCQSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17+,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@H]1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,7.5 10150,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 10151,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-BUFXCDORSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,7.5 10152,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,7.5 10153,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 10154,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 10155,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 10156,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-JTHNCSCQSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17+,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@H]1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,7.5 10157,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 10158,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-BUFXCDORSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,7.5 10159,5793,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,7.5 10160,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 10161,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 10162,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 10163,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 10164,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 10165,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 10166,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 10167,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 10168,5792,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 10169,5791,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.30268717,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,8.710748672485352 10170,5791,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.30268717,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,8.710748672485352 10171,5791,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.30268717,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,8.710748672485352 10172,5791,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.30268717,ISDB,ANNNBEZJTNCXHY-NSCUHMNNSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+",COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,8.710748672485352 10173,5791,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.30268717,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,8.710748672485352 10174,5791,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.30268717,ISDB,ANNNBEZJTNCXHY-NSCUHMNNSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+",COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,8.710748672485352 10175,5790,2022,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.5661774,ISDB,FZQLEXXZAVVCCA-XCVCLJGOSA-N,"InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+",O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1,C15H12O3,,240.078644244,FZQLEXXZAVVCCA,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,3,8.764709711074829 10176,5789,-1,,,,0.45755267,ISDB,YCVPRTHEGLPYPB-VOTSOKGWSA-N,"InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+",Oc1cc(O)cc(/C=C/c2ccccc2)c1,C14H12O2,,212.083729624,YCVPRTHEGLPYPB,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,0,7.8302106857299805 10177,5788,2983,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.4517142,ISDB,WZNJWVWKTVETCG-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)",NC(Cn1ccc(=O)c(O)c1)C(=O)O,C8H10N2O4,,198.0640568,WZNJWVWKTVETCG,Amino acids and Peptides,Small peptides,Aminoacids,Leucaena leucocephala,510052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Leucaena'],['Leucaena leucocephala'],3,3,6.306856751441956 10178,5788,2983,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.4517142,ISDB,WZNJWVWKTVETCG-YFKPBYRVSA-N,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1",N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O,C8H10N2O4,,198.0640568,WZNJWVWKTVETCG,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,6.306856751441956 10179,5787,2923,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.73415637,ISDB,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",Oc1ccccc1-c1ccccc1,C12H10O,,170.07316494,LLEMOWNGBBNAJR,Shikimates and Phenylpropanoids,,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,1,6.4366254806518555 10180,5787,2923,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.73415637,ISDB,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",Oc1ccccc1-c1ccccc1,C12H10O,,170.07316494,LLEMOWNGBBNAJR,Shikimates and Phenylpropanoids,,,Vaccinium macrocarpon,295602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium macrocarpon'],3,1,6.4366254806518555 10181,5787,2923,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.73415637,ISDB,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",Oc1ccccc1-c1ccccc1,C12H10O,,170.07316494,LLEMOWNGBBNAJR,Shikimates and Phenylpropanoids,,,Vaccinium vitis-idaea,242921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium vitis-idaea'],3,1,6.4366254806518555 10182,5787,2923,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.73415637,ISDB,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",Oc1ccccc1-c1ccccc1,C12H10O,,170.07316494,LLEMOWNGBBNAJR,Shikimates and Phenylpropanoids,,,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],3,1,6.4366254806518555 10183,5784,-1,,,,0.52320826,ISDB,KWFJIXPIFLVMPM-UHFFFAOYSA-N,"InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3",CC(C)=CCCC1(C)C2CC3C(C2)C31C,C15H24,,204.187800768,KWFJIXPIFLVMPM,Terpenoids,Sesquiterpenoids,Santalane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,9.092833042144775 10184,5783,-1,,,,0.71393114,ISDB,ROWAYMVYPPFJTI-DNUFPCGRSA-N,"InChI=1S/C20H30O3/c1-5-17(2)10-7-14-18(3)8-6-9-19(4)15(18)13(23-16(19)21)11-20(14,22)12-17/h5,13-15,22H,1,6-12H2,2-4H3/t13-,14+,15+,17-,18+,19+,20-/m0/s1",C=C[C@@]1(C)CC[C@H]2[C@](O)(C[C@@H]3OC(=O)[C@]4(C)CCC[C@@]2(C)[C@@H]34)C1,C20H30O3,,318.21949482,ROWAYMVYPPFJTI,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Tetraclinis articulata,194278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Tetraclinis'],['Tetraclinis articulata'],5,0,7.855724573135376 10185,5782,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.397137,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,3,10.088547945022583 10186,5781,-1,,,,0.3288441,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,0,7.315376400947571 10187,5780,3221,Terpenoids,Diterpenoids,Abietane diterpenoids,0.24134591,ISDB,SERPESJFVFFAKV-QRVBRYPASA-N,"InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(OO)CCC[C@]21C,C19H28O2,,288.208930136,SERPESJFVFFAKV,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,7.4653836488723755 10188,5779,-1,,,,0.5133435,ISDB,SOJWLJKPIIODOH-QRVBRYPASA-N,"InChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(O)CCC[C@]21C,C19H28O,,272.214015516,SOJWLJKPIIODOH,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,7.0533740520477295 10189,5778,-1,,,,0.7723046,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,10.089218378067017 10190,5778,-1,,,,0.7723046,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,10.089218378067017 10191,5777,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ethylamine,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10192,5777,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ethylamine,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10193,5777,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ethylamine,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10194,5777,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ethylamine,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,3,7.5 10195,5776,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.6588694,ISDB,HIEGBZPNSCMIJU-IHXOVPCESA-N,"InChI=1S/C36H56N2O5/c1-22(37(5)6)24-12-14-34(4)28-11-10-27-32(2,21-39)29(13-15-35(27)20-36(28,35)17-16-33(24,34)3)38(7)31(41)23-18-25(42-8)30(40)26(19-23)43-9/h18-19,22,24,27-29,39-40H,10-17,20-21H2,1-9H3/t22-,24+,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1",COc1cc(C(=O)N(C)[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C36H56N2O5,,596.418922892,HIEGBZPNSCMIJU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,11.135477542877197 10196,5775,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.43573025,ISDB,DMWFVSJPHMUFEL-UHFFFAOYSA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C(CCC3(C)C(C(C)N(C)C)CCC23C)CC2=CC(O)C(NC(=O)c3ccccc3)C(C)(C)C21,C35H52N2O4,,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.242920994758606 10197,5774,-1,,,,0.29791653,ISDB,,,,,,,VXJALOUMGIURLW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1916661262512207 10198,5772,3428,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,LGPUIKWJKFIAIH-LJKDYDQHSA-N,"InChI=1S/C26H30N2O12/c27-9-15(13-5-2-1-3-6-13)38-26-23(34)21(32)19(30)17(40-26)12-37-25-22(33)20(31)18(29)16(39-25)11-36-24(35)14-7-4-8-28-10-14/h1-8,10,15-23,25-26,29-34H,11-12H2/t15-,16+,17+,18+,19+,20-,21-,22+,23+,25+,26+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C26H30N2O12,pos_2_1calcium,562.1798743999999,LGPUIKWJKFIAIH,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 10199,5771,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.64659715,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.58638858795166 10200,5768,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 10201,5768,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 10202,5768,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 10203,5768,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 10204,5768,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 10205,5768,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 10206,5767,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2942358,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,11.676943182945251 10207,5767,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2942358,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,11.676943182945251 10208,5766,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.24062705,ISDB,XNNWEJWWBGSSMR-FXAWDEMLSA-N,"InChI=1S/C20H28O/c1-13(2)14-6-8-16-18-15(14)7-9-17-19(3,4)10-5-11-20(17,18)12-21-16/h6,8,13,17H,5,7,9-12H2,1-4H3/t17-,20+/m0/s1",CC(C)c1ccc2c3c1CC[C@H]1C(C)(C)CCC[C@]31CO2,C20H28O,,284.214015516,XNNWEJWWBGSSMR,Terpenoids,Diterpenoids,Abietane diterpenoids,Podocarpus latifolius,930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Podocarpaceae'],['Unknown'],['Podocarpus'],['Podocarpus latifolius'],3,0,3.962508201599121 10209,5764,2478,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6275273,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.010109186172485 10210,5764,2478,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6275273,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.010109186172485 10211,5764,2478,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6275273,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.010109186172485 10212,5764,2478,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6275273,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.010109186172485 10213,5764,2478,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6275273,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.010109186172485 10214,5763,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.6309998,ISDB,QKTPYRDTLBAVJH-AUSJPIAWSA-N,"InChI=1S/C20H22O5/c1-23-18-8-11(3-4-16(18)21)20-15-6-13-7-17(22)19(24-2)9-12(13)5-14(15)10-25-20/h3-4,7-9,14-15,20-22H,5-6,10H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc([C@H]2OC[C@@H]3Cc4cc(OC)c(O)cc4C[C@@H]32)ccc1O,C20H22O5,,342.1467238039999,QKTPYRDTLBAVJH,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Stellera chamaejasme,191882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Stellera'],['Stellera chamaejasme'],3,3,7.023999214172363 10215,5759,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.47256386,ISDB,NFSCOXCDAAETPI-WJIUUTPXSA-N,"InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+/t29-,33-,35-,37+,39+/m0/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]1O,C39H32O15,,740.174120324,NFSCOXCDAAETPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,3,8.390255451202393 10216,5759,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.47256386,ISDB,NFSCOXCDAAETPI-UHFFFAOYSA-N,"InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2",O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1O,C39H32O15,,740.174120324,NFSCOXCDAAETPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.390255451202393 10217,5758,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton1methanol,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10218,5757,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2759328,ISDB,,,,,,,HVINFLOKBRBVTE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1037311553955078 10219,5756,-1,,,,0.34019825,ISDB,AHATTYLVLSMFAQ-IAEWBKFYSA-N,"InChI=1S/C23H32O5/c1-15-6-9-23(4)19(21(25)26-5)12-18(28-16(2)24)13-20(23)22(15,3)10-7-17-8-11-27-14-17/h8,11-12,14-15,18,20H,6-7,9-10,13H2,1-5H3/t15-,18+,20-,22+,23+/m1/s1",COC(=O)C1=C[C@H](OC(C)=O)C[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C,C23H32O5,,388.224974124,AHATTYLVLSMFAQ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Grangea maderaspatana,583700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grangea'],['Grangea maderaspatana'],3,0,4.3607929944992065 10220,5755,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4301378,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.220551252365112 10221,5754,-1,,,,0.6904989,ISDB,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.761995553970337 10222,5752,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5179741,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.071896314620972 10223,5751,477,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UNALXIWYSATRFG-XTDKSSFHSA-N,"InChI=1S/C37H54N2O4/c1-23(2)31(41)38-29-16-17-36-21-37(36)19-18-34(5)30(24(3)39(7)8)26(43-32(42)25-12-10-9-11-13-25)20-35(34,6)28(37)15-14-27(36)33(29,4)22-40/h9-15,23-24,26-30,40H,16-22H2,1-8H3,(H,38,41)/t24-,26+,27-,28-,29-,30-,33-,34+,35-,36+,37-/m0/s1",CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@H]3[C@]1(C)CO,C37H54N2O4,pos_1_1proton,590.4083582080001,UNALXIWYSATRFG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 10224,5748,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CKXBHBNBEFREKT-LTHGSNFJSA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26-,27+,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,pos_1_minus1proton1magnesium,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10225,5748,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LCDWFTPHRBHOQJ-KNIUGVHDSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-19(4)36)31(7)22(42-17(2)34)13-23(43-18(3)35)33(15-41-28(32)26(31)33)45-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]3[C@H](OC[C@]13OC(=O)c1ccccc1)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(C)=O,C33H42O12,pos_1_1proton1ethylamine,630.267626784,LCDWFTPHRBHOQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,3,7.5 10226,5748,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LCDWFTPHRBHOQJ-KNIUGVHDSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-19(4)36)31(7)22(42-17(2)34)13-23(43-18(3)35)33(15-41-28(32)26(31)33)45-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]3[C@H](OC[C@]13OC(=O)c1ccccc1)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(C)=O,C33H42O12,pos_1_1proton1ethylamine,630.267626784,LCDWFTPHRBHOQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10227,5748,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WPPPFZJNKLMYBW-FAEUQDRCSA-N,"InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C33H42O12,pos_1_1proton1ethylamine,630.267626784,WPPPFZJNKLMYBW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10228,5748,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DLRXNNIHKMPBBR-JZIDVVRGSA-N,"InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)23(43-18(3)35)13-22(37)33(45-19(4)36)15-41-28(32)26(31)33/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22+,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1",CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)[C@@H]3[C@@H]2OC[C@@]3(OC(C)=O)[C@H](O)C[C@H]1OC(C)=O,C33H42O12,pos_1_1proton1ethylamine,630.2676267839998,DLRXNNIHKMPBBR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10229,5748,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CKXBHBNBEFREKT-KJFHCHQESA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26?,27?,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,pos_1_minus1proton1magnesium,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10230,5748,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XKUFTQFBRUVLDJ-RQKLJZOYSA-N,"InChI=1S/C33H42O12/c1-16-20(36)14-32(29(4,5)39)23(16)24(37)26(43-28(38)19-11-9-8-10-12-19)30(6)21(41-17(2)34)13-22(42-18(3)35)33-15-40-31(7,45-33)44-27(32)25(30)33/h8-12,20-22,24-27,36-37,39H,13-15H2,1-7H3/t20-,21-,22-,24+,25-,26-,27-,30+,31?,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]3[C@H](OC4(C)OC[C@]13O4)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(=O)c1ccccc1,C33H42O12,pos_1_1proton1ethylamine,630.267626784,XKUFTQFBRUVLDJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10231,5747,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SYDMVWLQJZBPIU-UHFFFAOYSA-N,"InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3",CC(=O)OC1C(=O)C2(CO)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,C31H38O12,pos_1_1proton1ethylamine,602.236326656,SYDMVWLQJZBPIU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10232,5746,-1,,,,0.0,MS1_match,XKUFTQFBRUVLDJ-RQKLJZOYSA-N,"InChI=1S/C33H42O12/c1-16-20(36)14-32(29(4,5)39)23(16)24(37)26(43-28(38)19-11-9-8-10-12-19)30(6)21(41-17(2)34)13-22(42-18(3)35)33-15-40-31(7,45-33)44-27(32)25(30)33/h8-12,20-22,24-27,36-37,39H,13-15H2,1-7H3/t20-,21-,22-,24+,25-,26-,27-,30+,31?,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]3[C@H](OC4(C)OC[C@]13O4)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(=O)c1ccccc1,C33H42O12,pos_1_1sodium,630.267626784,XKUFTQFBRUVLDJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10233,5746,-1,,,,0.0,MS1_match,CBTLXSBFAWEYRW-PIFFDCPXSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)43-18(3)35/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26+,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]12C,C33H42O12,pos_1_1sodium,630.267626784,CBTLXSBFAWEYRW,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus floridana,1089675.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus floridana'],6,0,6.0 10234,5746,-1,,,,0.0,MS1_match,CBTLXSBFAWEYRW-UHFFFAOYSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)43-18(3)35/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3",CC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(C)=O)C3(C(C)(C)O)CC(O)C(C)=C3C(O)C(OC(=O)c3ccccc3)C12C,C33H42O12,pos_1_1sodium,630.2676267839998,CBTLXSBFAWEYRW,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10235,5746,-1,,,,0.0,MS1_match,CBTLXSBFAWEYRW-PIFFDCPXSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)43-18(3)35/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26+,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]12C,C33H42O12,pos_1_1sodium,630.267626784,CBTLXSBFAWEYRW,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus floridana,1089675.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus floridana'],6,0,6.0 10236,5746,-1,,,,0.0,MS1_match,DLRXNNIHKMPBBR-JZIDVVRGSA-N,"InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)23(43-18(3)35)13-22(37)33(45-19(4)36)15-41-28(32)26(31)33/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22+,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1",CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)[C@@H]3[C@@H]2OC[C@@]3(OC(C)=O)[C@H](O)C[C@H]1OC(C)=O,C33H42O12,pos_1_1sodium,630.2676267839998,DLRXNNIHKMPBBR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10237,5746,-1,,,,0.0,MS1_match,UNOXUAXKYZZGRD-UHFFFAOYSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(43-18(3)35)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)44-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3",CC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(=O)c3ccccc3)C3(C(C)(C)O)CC(O)C(C)=C3C(O)C(OC(C)=O)C12C,C33H42O12,pos_1_1sodium,630.267626784,UNOXUAXKYZZGRD,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10238,5746,-1,,,,0.0,MS1_match,UNOXUAXKYZZGRD-YWGIOFSDSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(43-18(3)35)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)44-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(C)=O)[C@]12C,C33H42O12,pos_1_1sodium,630.2676267840001,UNOXUAXKYZZGRD,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,6.0 10239,5746,-1,,,,0.0,MS1_match,UNOXUAXKYZZGRD-UHFFFAOYSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(43-18(3)35)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)44-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3",CC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(=O)c3ccccc3)C3(C(C)(C)O)CC(O)C(C)=C3C(O)C(OC(C)=O)C12C,C33H42O12,pos_1_1sodium,630.267626784,UNOXUAXKYZZGRD,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10240,5746,-1,,,,0.0,MS1_match,CBTLXSBFAWEYRW-UHFFFAOYSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)43-18(3)35/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3",CC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(C)=O)C3(C(C)(C)O)CC(O)C(C)=C3C(O)C(OC(=O)c3ccccc3)C12C,C33H42O12,pos_1_1sodium,630.2676267839998,CBTLXSBFAWEYRW,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10241,5746,-1,,,,0.0,MS1_match,UNOXUAXKYZZGRD-YWGIOFSDSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(43-18(3)35)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)44-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(C)=O)[C@]12C,C33H42O12,pos_1_1sodium,630.2676267840001,UNOXUAXKYZZGRD,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,6.0 10242,5746,-1,,,,0.0,MS1_match,LCDWFTPHRBHOQJ-KNIUGVHDSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-19(4)36)31(7)22(42-17(2)34)13-23(43-18(3)35)33(15-41-28(32)26(31)33)45-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]3[C@H](OC[C@]13OC(=O)c1ccccc1)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(C)=O,C33H42O12,pos_1_1sodium,630.267626784,LCDWFTPHRBHOQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10243,5746,-1,,,,0.0,MS1_match,LCDWFTPHRBHOQJ-KNIUGVHDSA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-19(4)36)31(7)22(42-17(2)34)13-23(43-18(3)35)33(15-41-28(32)26(31)33)45-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]3[C@H](OC[C@]13OC(=O)c1ccccc1)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(C)=O,C33H42O12,pos_1_1sodium,630.267626784,LCDWFTPHRBHOQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,6.0 10244,5746,-1,,,,0.0,MS1_match,YKYDWPUNQKSEIE-YWGIOFSDSA-N,"InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-32(30(5,6)45-29(40)20-11-9-8-10-12-20)24(16)25(43-18(3)35)27(38)31(7)22(37)13-23-33(15-41-23,44-19(4)36)26(31)28(32)39/h8-12,21-23,25-28,37-39H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33-/m0/s1",CC(=O)O[C@H]1C[C@]2(C(C)(C)OC(=O)c3ccccc3)C(=C1C)[C@@H](OC(C)=O)[C@H](O)[C@@]1(C)[C@H]([C@@H]2O)[C@]2(OC(C)=O)CO[C@@H]2C[C@@H]1O,C33H42O12,pos_1_1sodium,630.267626784,YKYDWPUNQKSEIE,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,0,6.0 10245,5746,-1,,,,0.0,MS1_match,WPPPFZJNKLMYBW-FAEUQDRCSA-N,"InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C33H42O12,pos_1_1sodium,630.267626784,WPPPFZJNKLMYBW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10246,5746,-1,,,,0.0,MS1_match,XBZIGSVALWFOMW-BDNJVKJISA-N,"InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(44-29(39)20-11-9-8-10-12-20)27(38)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)43-18(3)35/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33-/m1/s1",CC(=O)O[C@@H]1[C@H]2[C@@]3(OC(C)=O)CO[C@H]3C[C@@H](OC(C)=O)[C@]2(C)[C@H](O)[C@@H](OC(=O)c2ccccc2)C2=C(C)[C@H](O)C[C@@]21C(C)(C)O,C33H42O12,pos_1_1sodium,630.267626784,XBZIGSVALWFOMW,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 10247,5745,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5645787,ISDB,VPBRHVORGABESF-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-12-13-10(9)7-8-11(13)14(16)17-15(12,2)3/h4-8H,1-3H3",Cc1cccc2c3c(ccc1-3)C(=O)OC2(C)C,C15H14O2,,226.099379688,VPBRHVORGABESF,Terpenoids,,,Oreocnide frutescens,5264244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Oreocnide'],['Oreocnide frutescens'],3,1,5.758314847946167 10248,5744,166,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.71164256,ISDB,MXPXAZNVQUWDFH-NSISKUIASA-N,"InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O4,,330.18310931199994,MXPXAZNVQUWDFH,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,10.346570253372192 10249,5743,-1,,,,0.47120184,ISDB,PAYBPGDQZXJNMH-MYKLHEQQSA-N,"InChI=1S/C34H48N2O3/c1-21(35-7)30-28(39-22(2)37)20-34(6)27-15-14-26-24(19-25(27)17-18-33(30,34)5)13-16-29(32(26,3)4)36-31(38)23-11-9-8-10-12-23/h8-12,17,19,21,26-30,35H,13-16,18,20H2,1-7H3,(H,36,38)/t21-,26+,27+,28+,29-,30-,33+,34-/m0/s1",CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C34H48N2O3,,532.366493396,PAYBPGDQZXJNMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,8.884807348251343 10250,5741,-1,,,,0.7661108,ISDB,ZOWUCBLBJJSKFF-KAKPMPKCSA-N,"InChI=1S/C21H28O6/c1-10-11-5-6-12-20(9-11,15(10)22)17(24)26-13-7-8-19(2,3)14-16(23)27-18(25-4)21(12,13)14/h11-14,16,18,23H,1,5-9H2,2-4H3/t11-,12-,13+,14-,16-,18-,20+,21+/m1/s1",C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12[C@H](OC)O[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O,C21H28O6,,376.188588616,ZOWUCBLBJJSKFF,Terpenoids,Diterpenoids,Secokaurane diterpenoids,Isodon serra,364890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon serra'],3,0,6.064443111419678 10251,5740,450,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.70674086,ISDB,JTNSTKUEMUFKOQ-WBXRFQILSA-N,"InChI=1S/C24H32O7/c1-12-15-6-7-16-22-11-29-24(28,23(16,10-15)19(12)27)20(31-14(3)26)18(22)21(4,5)9-8-17(22)30-13(2)25/h15-18,20,28H,1,6-11H2,2-5H3/t15-,16+,17+,18-,20+,22-,23+,24-/m1/s1",C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O,C24H32O7,,432.214803364,JTNSTKUEMUFKOQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon longitubus,702084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon longitubus'],3,2,6.826963424682617 10252,5739,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MH,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 10253,5738,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7088942,ISDB,DAQJYUCPSHWKIR-RCOKLKMLSA-N,"InChI=1S/C25H35NO/c1-6-16-12-25-14-19(25)17-13-24(11-9-21(26-5)22(24,2)3)10-7-8-18(17)23(25,4)15-20(16)27/h7-8,10,13,16,19,21,26H,6,9,11-12,14-15H2,1-5H3/t16-,19+,21-,23-,24-,25+/m0/s1",CC[C@H]1C[C@@]23C[C@@H]2C2=C[C@]4(C=CC=C2[C@]3(C)CC1=O)CC[C@H](NC)C4(C)C,C25H35NO,,365.27186474,DAQJYUCPSHWKIR,Terpenoids,Diterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.83557677268982 10254,5737,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.64425,ISDB,SGHXLRHVQDPMOF-LUKYLMHMSA-N,"InChI=1S/C19H30N2O3/c1-3-4-5-7-15-11-17(24-19(22)18-8-6-9-20-18)12-16-10-14(2)23-13-21(15)16/h6,8-9,14-17,20H,3-5,7,10-13H2,1-2H3/t14-,15-,16-,17+/m0/s1",CCCCC[C@H]1C[C@@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@H](C)OCN21,C19H30N2O3,,334.22564282,SGHXLRHVQDPMOF,Alkaloids,Lysine alkaloids,,Hyperaspis campestris,3355390.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Coccinellidae'],['Hyperaspidini'],['Hyperaspis'],['Hyperaspis campestris'],1,2,4.57699990272522 10255,5736,878,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.7091845,ISDB,SUHBSVHVWQDUEA-CVYSASLGSA-N,"InChI=1S/C20H24O4/c1-18-10-15(13-6-9-22-11-13)24-19(18,2)7-8-20-12-23-17(21)14(20)4-3-5-16(18)20/h4,6,9,11,15-16H,3,5,7-8,10,12H2,1-2H3/t15-,16-,18-,19+,20-/m1/s1",C[C@]12CC[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2,C20H24O4,,328.167459248,SUHBSVHVWQDUEA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Salvia fulgens,574330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia fulgens'],3,3,7.336738109588623 10256,5736,878,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.7091845,ISDB,SUHBSVHVWQDUEA-CVYSASLGSA-N,"InChI=1S/C20H24O4/c1-18-10-15(13-6-9-22-11-13)24-19(18,2)7-8-20-12-23-17(21)14(20)4-3-5-16(18)20/h4,6,9,11,15-16H,3,5,7-8,10,12H2,1-2H3/t15-,16-,18-,19+,20-/m1/s1",C[C@]12CC[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2,C20H24O4,,328.167459248,SUHBSVHVWQDUEA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Salvia polystachya,337411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia polystachya'],3,3,7.336738109588623 10257,5736,878,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.7091845,ISDB,SUHBSVHVWQDUEA-CVYSASLGSA-N,"InChI=1S/C20H24O4/c1-18-10-15(13-6-9-22-11-13)24-19(18,2)7-8-20-12-23-17(21)14(20)4-3-5-16(18)20/h4,6,9,11,15-16H,3,5,7-8,10,12H2,1-2H3/t15-,16-,18-,19+,20-/m1/s1",C[C@]12CC[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2,C20H24O4,,328.167459248,SUHBSVHVWQDUEA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Salvia xalapensis,7054269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia xalapensis'],3,3,7.336738109588623 10258,5736,878,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.7091845,ISDB,SUHBSVHVWQDUEA-CVYSASLGSA-N,"InChI=1S/C20H24O4/c1-18-10-15(13-6-9-22-11-13)24-19(18,2)7-8-20-12-23-17(21)14(20)4-3-5-16(18)20/h4,6,9,11,15-16H,3,5,7-8,10,12H2,1-2H3/t15-,16-,18-,19+,20-/m1/s1",C[C@]12CC[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2,C20H24O4,,328.167459248,SUHBSVHVWQDUEA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Salvia rhyacophila,6083514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia rhyacophila'],3,3,7.336738109588623 10259,5735,-1,,,,0.7177716,ISDB,UKOKENMLXFNPEJ-WOJBJXKFSA-N,"InChI=1S/C20H22O3/c1-11(2)12-6-7-14-13(10-12)15(21)16-17-19(14,3)8-5-9-20(17,4)18(22)23-16/h6-7,10-11H,5,8-9H2,1-4H3/t19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1,C20H22O3,,310.156894564,UKOKENMLXFNPEJ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],5,0,7.871086359024048 10260,5734,-1,,,,0.741546,ISDB,VOXTXNMZXYGFIL-IBGZPJMESA-N,"InChI=1S/C19H22O2/c1-11(2)16-9-14-7-6-13(4)15-8-5-12(3)10-19(21,17(14)15)18(16)20/h6-7,9,11,21H,3,5,8,10H2,1-2,4H3/t19-/m0/s1",C=C1CCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C19H22O2,,282.161979944,VOXTXNMZXYGFIL,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,0,5.96618390083313 10261,5733,329,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,0.6372883,ISDB,ZEEUIOBUKGZKPS-IDTAVKCVSA-N,"InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1",CC1=C2[C@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H22O,,218.167065324,ZEEUIOBUKGZKPS,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,2,11.549153089523315 10262,5732,-1,,,,0.30862778,ISDB,UJARNTWLSVMUJF-HHNKTFFCSA-N,"InChI=1S/C37H49NO9/c1-20-28(42)18-26-33(44-22(3)39)32-21(2)29(47-30(43)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(32,8)35(46-24(5)41)34(45-23(4)40)31(20)36(26,6)7/h11-15,26-27,29,32-35H,2,16-19H2,1,3-10H3/t26-,27+,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO9,,651.340732148,UJARNTWLSVMUJF,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,8.234511137008667 10263,5731,-1,,,,0.0,MS1_match,CTCUFNSATHDLRX-PWNXUCPHSA-N,"InChI=1S/C33H40O7/c1-19-25(36)17-24-18-32-20(2)26(40-27(37)14-13-23-11-9-8-10-12-23)15-16-31(32,7)28(38-21(3)34)29(39-22(4)35)33(19,32)30(24,5)6/h8-14,19,24,26,28-29H,2,15-18H2,1,3-7H3/b14-13+/t19-,24+,26+,28+,29+,31+,32+,33-/m0/s1",C=C1[C@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]34[C@@H](C)C(=O)C[C@H](C[C@]132)C4(C)C,C33H40O7,pos_1_1proton1ammonium,548.27740362,CTCUFNSATHDLRX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,0,6.0 10264,5730,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10265,5730,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10266,5730,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10267,5730,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10268,5729,2220,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8064982,ISDB,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.725992918014526 10269,5725,404,Shikimates and Phenylpropanoids,Ornithine alkaloids,Tropane alkaloids,0.7523442,ISDB,MXXYWADKIZHYBS-OJAKKHQRSA-N,"InChI=1S/C14H20N2O3/c1-15-7-3-4-10(15)14(18)19-12-6-5-9-8-11(17)13(12)16(9)2/h3-4,7,9,11-13,17H,5-6,8H2,1-2H3/t9-,11-,12-,13-/m1/s1",CN1[C@@H]2CC[C@@H](OC(=O)c3cccn3C)[C@H]1[C@H](O)C2,C14H20N2O3,,264.1473925,MXXYWADKIZHYBS,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Erythroxylum vacciniifolium,7056262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Erythroxylaceae'],['Unknown'],['Erythroxylum'],['Erythroxylum vacciniifolium'],3,3,7.509376764297485 10270,5724,-1,,,,0.56889105,ISDB,ROWAYMVYPPFJTI-DNUFPCGRSA-N,"InChI=1S/C20H30O3/c1-5-17(2)10-7-14-18(3)8-6-9-19(4)15(18)13(23-16(19)21)11-20(14,22)12-17/h5,13-15,22H,1,6-12H2,2-4H3/t13-,14+,15+,17-,18+,19+,20-/m0/s1",C=C[C@@]1(C)CC[C@H]2[C@](O)(C[C@@H]3OC(=O)[C@]4(C)CCC[C@@]2(C)[C@@H]34)C1,C20H30O3,,318.21949482,ROWAYMVYPPFJTI,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Tetraclinis articulata,194278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Tetraclinis'],['Tetraclinis articulata'],5,0,7.275564193725586 10271,5723,2244,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5880074,ISDB,ZISLXYPNMCQAMV-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16(27)19-12-14-25(5)21-9-8-20-17(7-10-22(26-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h7,11-12,20-22,26H,8-10,13-15H2,1-6H3",CNC1CC=C2CC3=CCC4(C)C(C(C)=O)=CCC4(C)C3CCC2C1(C)C,C25H37NO,,367.287514804,ZISLXYPNMCQAMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.85202956199646 10272,5721,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10273,5721,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10274,5721,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10275,5721,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 10276,5718,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.8322865,ISDB,JYHZFCAVESZNKO-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3",COc1cc(CCC(=O)C=CCCc2ccc(O)cc2)ccc1O,C20H22O4,,326.151809184,JYHZFCAVESZNKO,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],3,3,7.829145908355713 10277,5718,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.8322865,ISDB,JYHZFCAVESZNKO-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3",COc1cc(CCC(=O)C=CCCc2ccc(O)cc2)ccc1O,C20H22O4,,326.151809184,JYHZFCAVESZNKO,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],3,3,7.829145908355713 10278,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.552305459976196 10279,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.552305459976196 10280,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.552305459976196 10281,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.552305459976196 10282,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.552305459976196 10283,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.552305459976196 10284,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.552305459976196 10285,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.552305459976196 10286,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.552305459976196 10287,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.552305459976196 10288,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.552305459976196 10289,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.552305459976196 10290,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.552305459976196 10291,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.552305459976196 10292,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.552305459976196 10293,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.552305459976196 10294,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.552305459976196 10295,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.552305459976196 10296,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.552305459976196 10297,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.552305459976196 10298,5717,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51307636,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.552305459976196 10299,5716,708,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.22444217,ISDB,GFVMHSQLCIEXNG-XQQFMLRXSA-N,"InChI=1S/C13H25NO2/c1-3-5-13(16)9-12-7-4-6-11(14-12)8-10(2)15/h11-14,16H,3-9H2,1-2H3/t11-,12+,13-/m0/s1",CCC[C@H](O)C[C@H]1CCC[C@@H](CC(C)=O)N1,C13H25NO2,,227.18852904,GFVMHSQLCIEXNG,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Andrachne aspera,448407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Poranthereae'],['Andrachne'],['Andrachne aspera'],4,3,6.397768676280975 10300,5714,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 10301,5714,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 10302,5713,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OUZGCGZMZBOCBH-MNLIZOKASA-N,"InChI=1S/C44H55NO13/c1-7-8-11-20-31(48)45-33(26-16-12-9-13-17-26)35(50)40(53)56-28-22-44(54)38(57-39(52)27-18-14-10-15-19-27)36-42(6,37(51)34(49)32(24(28)2)41(44,4)5)29(47)21-30-43(36,23-55-30)58-25(3)46/h9-10,12-19,28-30,33-36,38,47,49-50,54H,7-8,11,20-23H2,1-6H3,(H,45,48)/t28-,29-,30+,33-,34+,35+,36-,38-,42+,43-,44+/m0/s1",CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C,C44H55NO13,pos_1_1proton,805.36734082,OUZGCGZMZBOCBH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10303,5712,-1,,,,0.7437003,ISDB,BYQQDLUCCAZYJO-UHFFFAOYSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2",O=C1CCCC2C3CC(O)CN4CCCC(O)(CN12)C34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],3,0,5.974801301956177 10304,5712,-1,,,,0.7437003,ISDB,BYQQDLUCCAZYJO-UHFFFAOYSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2",O=C1CCCC2C3CC(O)CN4CCCC(O)(CN12)C34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Eria anomala,3979504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Eria'],['Eria anomala'],3,0,5.974801301956177 10305,5712,-1,,,,0.7437003,ISDB,BYQQDLUCCAZYJO-PGKPSXLWSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2/t10-,11+,12+,14+,15+/m0/s1",O=C1CCC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@](O)(CN12)[C@@H]34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],3,0,5.974801301956177 10306,5712,-1,,,,0.7437003,ISDB,BYQQDLUCCAZYJO-PGKPSXLWSA-N,"InChI=1S/C15H24N2O3/c18-10-7-11-12-3-1-4-13(19)17(12)9-15(20)5-2-6-16(8-10)14(11)15/h10-12,14,18,20H,1-9H2/t10-,11+,12+,14+,15+/m0/s1",O=C1CCC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@](O)(CN12)[C@@H]34,C15H24N2O3,,280.178692628,BYQQDLUCCAZYJO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora tonkinensis,434824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tonkinensis'],3,0,5.974801301956177 10307,5710,2001,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.44488338,ISDB,XPIXCPCSKJDZLU-UHFFFAOYSA-N,"InChI=1S/C40H34O16/c1-51-28-16-21(4-13-26(28)44)6-14-31(46)52-19-30-34(48)38(55-32(47)15-5-20-2-9-23(41)10-3-20)36(50)40(54-30)56-39-35(49)33-27(45)17-25(43)18-29(33)53-37(39)22-7-11-24(42)12-8-22/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)ccc1O,C40H34O16,,770.184685008,XPIXCPCSKJDZLU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,9.279533505439758 10308,5709,388,Terpenoids,Triterpenoids,Limonoids,0.4572931,ISDB,OQLGEBFKDSZURT-CHMGBORNSA-N,"InChI=1S/C26H32O7/c1-14-16-6-8-24(4)22(15-7-9-31-13-15)32-21(30)12-26(14,24)33-19-11-18(27)23(2,3)17(10-20(28)29)25(16,19)5/h7,9,13,16-17,19,22H,1,6,8,10-12H2,2-5H3,(H,28,29)/t16-,17-,19-,22-,24-,25+,26-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)O)[C@]12C,C26H32O7,,456.214803364,OQLGEBFKDSZURT,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,3,6.329172372817993 10309,5709,388,Terpenoids,Triterpenoids,Limonoids,0.4572931,ISDB,OQLGEBFKDSZURT-CHMGBORNSA-N,"InChI=1S/C26H32O7/c1-14-16-6-8-24(4)22(15-7-9-31-13-15)32-21(30)12-26(14,24)33-19-11-18(27)23(2,3)17(10-20(28)29)25(16,19)5/h7,9,13,16-17,19,22H,1,6,8,10-12H2,2-5H3,(H,28,29)/t16-,17-,19-,22-,24-,25+,26-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)O)[C@]12C,C26H32O7,,456.214803364,OQLGEBFKDSZURT,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,3,6.329172372817993 10310,5705,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.39764017,ISDB,PFCOJAPJHVVASV-LSDHHAIUSA-N,"InChI=1S/C21H22O7/c1-24-19-9-13(7-16(22)20(19)25-2)6-15-14(10-26-21(15)23)5-12-3-4-17-18(8-12)28-11-27-17/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC,C21H22O7,,386.1365530439999,PFCOJAPJHVVASV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus sabina,209226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus sabina'],6,3,9.090560674667358 10311,5704,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.5770081,ISDB,OPWBFTHPRICVFB-OKDLLEDBSA-N,"InChI=1S/C41H58O3/c1-24(2)27-21-29-31(22-32(27)42)41(10)19-13-17-39(7,8)37(41)36(35(29)43-11)44-33-23-30-26(20-28(33)25(3)4)14-15-34-38(5,6)16-12-18-40(30,34)9/h14-15,20-25,34-37,42H,12-13,16-19H2,1-11H3/t34-,35-,36-,37-,40+,41+/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]21C,C41H58O3,,598.438595716,OPWBFTHPRICVFB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,6.808032512664795 10312,5704,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.5770081,ISDB,OPWBFTHPRICVFB-OKDLLEDBSA-N,"InChI=1S/C41H58O3/c1-24(2)27-21-29-31(22-32(27)42)41(10)19-13-17-39(7,8)37(41)36(35(29)43-11)44-33-23-30-26(20-28(33)25(3)4)14-15-34-38(5,6)16-12-18-40(30,34)9/h14-15,20-25,34-37,42H,12-13,16-19H2,1-11H3/t34-,35-,36-,37-,40+,41+/m0/s1",CO[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]21C,C41H58O3,,598.438595716,OPWBFTHPRICVFB,Terpenoids,Diterpenoids,Abietane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,6.808032512664795 10313,5702,708,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.231849,ISDB,GFVMHSQLCIEXNG-XQQFMLRXSA-N,"InChI=1S/C13H25NO2/c1-3-5-13(16)9-12-7-4-6-11(14-12)8-10(2)15/h11-14,16H,3-9H2,1-2H3/t11-,12+,13-/m0/s1",CCC[C@H](O)C[C@H]1CCC[C@@H](CC(C)=O)N1,C13H25NO2,,227.18852904,GFVMHSQLCIEXNG,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Andrachne aspera,448407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Poranthereae'],['Andrachne'],['Andrachne aspera'],3,3,5.42739599943161 10314,5700,-1,,,,0.73710036,ISDB,KYUZJZXIMAWUJY-UIYOEFSSSA-N,"InChI=1S/C15H23NO2/c1-7(2)10-11-9-5-4-8-6-16-13(15(8,9)3)12(10)18-14(11)17/h7-13,16H,4-6H2,1-3H3/t8-,9+,10+,11-,12+,13-,15+/m1/s1",CC(C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@@H]1CC[C@@H]3CN[C@H]2[C@@]31C,C15H23NO2,,249.172878976,KYUZJZXIMAWUJY,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,Dendrobium nobile,508208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium nobile'],4,0,6.94840145111084 10315,5699,-1,,,,0.70238584,ISDB,GANAFKWGNFNFRF-NTKLBGAHSA-N,"InChI=1S/C15H23NO2/c1-3-4-5-6-7-8-13-11(2)14(17)12-9-10-16-15(12)18-13/h3-4,12,15-16H,5-10H2,1-2H3/b4-3+/t12-,15+/m0/s1",C/C=C/CCCCC1=C(C)C(=O)[C@@H]2CCN[C@@H]2O1,C15H23NO2,,249.172878976,GANAFKWGNFNFRF,Alkaloids,,,Penicillium citrinum,226488.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium citrinum'],1,0,3.8095433712005615 10316,5697,-1,,,,0.81221694,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,9.248867750167847 10317,5697,-1,,,,0.81221694,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,9.248867750167847 10318,5695,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.4519356,ISDB,,,,,,,NFXLDDNLHYSYSP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8077423572540283 10319,5693,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.26802498,ISDB,,,,,,,GCZRQXYHQYAOEC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0720999240875244 10320,5692,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DMWFVSJPHMUFEL-UHFFFAOYSA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C(CCC3(C)C(C(C)N(C)C)CCC23C)CC2=CC(O)C(NC(=O)c3ccccc3)C(C)(C)C21,C35H52N2O4,pos_1_1proton,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10321,5692,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PZUXCVGZGCVETM-PKMGEXTCSA-N,"InChI=1S/C35H52N2O4/c1-22(37(6)7)29-25(41-23(2)39)19-33(5)27-14-13-26-31(3,21-38)28(36-30(40)24-11-9-8-10-12-24)15-16-34(26)20-35(27,34)18-17-32(29,33)4/h8-12,22,25-29,38H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,29-,31+,32+,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H52N2O4,pos_1_1proton,564.392708144,PZUXCVGZGCVETM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10322,5691,926,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5203905,ISDB,AHLPWDSDBNEGCL-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h5,8,12-16H,4,6-7,9H2,1-3H3",CC1=CC2C(CC1)C(C)=CCC2C(C)CO,C15H24O,,220.182715388,AHLPWDSDBNEGCL,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Juniperus oxycedrus,680857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus oxycedrus'],5,3,8.581562042236328 10323,5690,926,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4525001,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.3100004196167 10324,5689,-1,,,,0.5331621,ISDB,CEMBNJZUXWTPEZ-ZUEPEPMWSA-N,"InChI=1S/C26H34O8/c1-15-11-20(29)22(32-17(3)28)25(14-31-16(2)27)21(33-23(30)18-9-7-6-8-10-18)12-19-13-26(15,25)34-24(19,4)5/h6-10,15,19-22,29H,11-14H2,1-5H3/t15-,19-,20+,21+,22+,25-,26+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](O)C[C@H](C)[C@]13C[C@H](C[C@H]2OC(=O)c1ccccc1)C(C)(C)O3,C26H34O8,,474.225368048,CEMBNJZUXWTPEZ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],3,0,5.132648468017578 10325,5688,2220,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5369539,ISDB,VQYUKPJSULPCRL-YIVIGHCGSA-N,"InChI=1S/C26H39NO/c1-17(28)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(27(6)7)24(21,2)3/h12-13,16,21-23H,8-11,14-15H2,1-7H3/t21-,22-,23+,25-,26+/m1/s1",CC(=O)C1=CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H39NO,,381.303164868,VQYUKPJSULPCRL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.647815704345703 10326,5685,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8188668,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.775467157363892 10327,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 10328,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 10329,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 10330,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 10331,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 10332,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 10333,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 10334,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 10335,5682,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 10336,5681,914,,,,0.44139123,ISDB,,,,,,,JLCLENIZEIWVJI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7655649185180664 10337,5680,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_1_1sodium,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10338,5680,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_1_1sodium,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10339,5679,-1,,,,0.67476237,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,8.699049472808838 10340,5679,-1,,,,0.67476237,ISDB,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,8.699049472808838 10341,5678,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZJVSTIUIDCVZPW-CLLHIRHQSA-N,"InChI=1S/C30H44N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25,27,33H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,27+,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H44N2O2,pos_1_1proton1isopropanol,464.340278648,ZJVSTIUIDCVZPW,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,2,7.0 10342,5677,1121,Polyketides,Pseudoalkaloids,N-acyl amines,0.57675946,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.307037830352783 10343,5676,3496,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,0.28435665,ISDB,MVJQLUWKSUTHBF-YRGYYVIWSA-N,"InChI=1S/C19H36N2O3/c1-5-17(2)15-13-11-9-7-6-8-10-12-14-16-21(23)20-18(3)19(22)24-4/h14,16-18H,5-13,15H2,1-4H3/b16-14-,21-20?/t17?,18-/m0/s1",CCC(C)CCCCCCCCC/C=C\[N+]([O-])=N[C@@H](C)C(=O)OC,C19H36N2O3,,340.272593012,MVJQLUWKSUTHBF,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.6374266147613525 10344,5675,2514,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42294735,ISDB,PTQFIYQNKVSVGM-GUDVDZBRSA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.191789388656616 10345,5675,2514,Terpenoids,Diterpenoids,Abietane diterpenoids,0.42294735,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.191789388656616 10346,5673,2537,Terpenoids,Diterpenoids,Taxane diterpenoids,0.5660196,ISDB,,,,,,,ANDFUFYTIKMZJO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.264078378677368 10347,5668,2220,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.83734626,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,3,11.849385023117065 10348,5667,-1,,,,0.60925686,ISDB,HUHYPGHUVADQQH-UHFFFAOYSA-N,"InChI=1S/C24H34O/c1-9-17-15-19(23(3,4)5)11-13-21(17)25-22-14-12-20(24(6,7)8)16-18(22)10-2/h11-16H,9-10H2,1-8H3",CCc1cc(C(C)(C)C)ccc1Oc1ccc(C(C)(C)C)cc1CC,C24H34O,,338.260965708,HUHYPGHUVADQQH,Polyketides,,,Basella alba,63162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Basellaceae'],['Unknown'],['Basella'],['Basella alba'],4,0,6.437027454376221 10349,5666,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.20898059,ISDB,CKXBHBNBEFREKT-LTHGSNFJSA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26-,27+,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,8.335922360420227 10350,5666,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.20898059,ISDB,CKXBHBNBEFREKT-KJFHCHQESA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26?,27?,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,8.335922360420227 10351,5662,-1,,,,0.0,MS1_match,KQFUXLQBMQGNRT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1,C18H16O7,pos_1_1proton,344.0896028519999,KQFUXLQBMQGNRT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 10352,5662,-1,,,,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 10353,5662,-1,,,,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1proton,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 10354,5661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10355,5661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10356,5661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10357,5661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,3,7.5 10358,5661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MOYWWZOOLCCTFX-WXJTWOLQSA-N,"InChI=1S/C37H44O12/c1-19-26(48-29(43)16-15-24-13-11-10-12-14-24)18-28(44-20(2)38)35(8)30(19)31(45-21(3)39)25-17-27(42)36(9)37(49-36,34(25,6)7)33(47-23(5)41)32(35)46-22(4)40/h10-16,25-26,28,30-33H,1,17-18H2,2-9H3/b16-15+/t25-,26-,28-,30-,31+,32-,33-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C37H44O12,pos_1_1proton1ethylamine,680.2832768479998,MOYWWZOOLCCTFX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10359,5660,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.48956552,ISDB,GTYRAMWEOJXFPW-GVJYVNMNSA-N,"InChI=1S/C37H47NO10/c1-20-28(45-21(2)39)16-26-30(46-22(3)40)15-25-19-37(7,35(44)34(43)33(20)36(26,5)6)31(47-23(4)41)18-29(25)48-32(42)17-27(38(8)9)24-13-11-10-12-14-24/h10-15,26-31H,16-19H2,1-9H3/b25-15-/t26-,27+,28-,29-,30-,31-,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3/C[C@](C)(C(=O)C(=O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)C[C@H](c1ccccc1)N(C)C,C37H47NO10,,665.319996704,GTYRAMWEOJXFPW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,9.458262085914612 10360,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10361,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10362,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10363,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10364,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10365,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZJHORUWDAUIHTD-UHFFFAOYSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)33(46-23(4)40)31-21(2)28(48-29(43)18-26(38(9)10)25-14-12-11-13-15-25)16-17-36(31,8)34(47-24(5)41)32(45-22(3)39)30(20)35(37,6)7/h11-15,26,28,31-34,44H,2,16-19H2,1,3-10H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,ZJHORUWDAUIHTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10366,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XQLJYGLHZIUECS-GLESJUERSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.2777975439999,XQLJYGLHZIUECS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10367,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CVSYBUKGIXQKJN-QFTQROJLSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)32(46-23(4)40)30-21(2)28(48-34(43)26(38(9)10)18-25-14-12-11-13-15-25)16-17-36(30,8)33(47-24(5)41)31(45-22(3)39)29(20)35(37,6)7/h11-15,26,28,30-33,44H,2,16-19H2,1,3-10H3/t26?,28-,30-,31+,32-,33-,36+,37+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,CVSYBUKGIXQKJN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10368,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10369,5658,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10370,5655,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DCONXLQPDFRUCW-UHFFFAOYSA-N,"InChI=1S/C26H39NO2/c1-17(28)20-11-13-26(4)22-8-7-21-18(14-19(22)10-12-25(20,26)3)6-9-23-24(21,2)15-29-16-27(23)5/h10,14,20-23H,6-9,11-13,15-16H2,1-5H3",CC(=O)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC1N(C)COCC41C,C26H39NO2,pos_1_1proton1methanol,397.298079488,DCONXLQPDFRUCW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10371,5655,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LQEYGBHACPWUTB-UBKPWBPPSA-N,"InChI=1S/C26H39NO2/c1-6-17-18(28)13-24(4)20-8-7-19-22(2)15-29-16-27(5)21(22)9-10-25(19)14-26(20,25)12-11-23(17,24)3/h6,19-21H,7-16H2,1-5H3/b17-6+",C/C=C1\C(=O)CC2(C)C3CCC4C5(C)COCN(C)C5CCC45CC35CCC12C,C26H39NO2,pos_1_1proton1methanol,397.298079488,LQEYGBHACPWUTB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10372,5655,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RLOTYRQBXLCZBX-UHFFFAOYSA-N,"InChI=1S/C26H39NO2/c1-16(28)19-10-12-26(5)21-8-7-20-18(13-17(21)9-11-25(19,26)4)14-22-23(24(20,2)3)27(6)15-29-22/h9,13,19-23H,7-8,10-12,14-15H2,1-6H3",CC(=O)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CC1OCN(C)C1C4(C)C,C26H39NO2,pos_1_1proton1methanol,397.298079488,RLOTYRQBXLCZBX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10373,5654,-1,,,,0.70785135,ISDB,FCNLMUQPSJEBQE-UHFFFAOYSA-N,"InChI=1S/C17H26O2/c1-5-6-7-8-14-11-16(18)15(10-9-13(2)3)17(12-14)19-4/h9,11-12,18H,5-8,10H2,1-4H3",CCCCCc1cc(O)c(CC=C(C)C)c(OC)c1,C17H26O2,,262.193280072,FCNLMUQPSJEBQE,Polyketides,Meroterpenoids,Cannabinoids,Glycyrrhiza acanthocarpa,1060454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza acanthocarpa'],3,0,5.831405401229858 10374,5653,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6765936,ISDB,XOQBPGQAAARDLU-YHLRNQGXSA-N,"InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-16H,3-4,6-8H2,1-2H3/b10-5-,11-9+/t13-,14-,15-/m0/s1",C=C1[C@@H](O)O[C@H]2/C=C(\C)CC/C=C(/C)CC[C@@H]12,C15H22O2,,234.161979944,XOQBPGQAAARDLU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia virginiana,863066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia virginiana'],7,2,10.706374406814575 10375,5652,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7191306,ISDB,YONZCIKAMCMODD-PKSQDBQZSA-N,"InChI=1S/C15H20O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12-13H,4-5,7H2,1-3H3/t10-,12?,13?/m0/s1",CC1=CC2c3c(C)coc3C[C@H](C)C2CC1,C15H20O,,216.15141526,YONZCIKAMCMODD,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Aristeguietia glutinosa,7595864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Aristeguietia'],['Aristeguietia glutinosa'],4,3,8.376522302627563 10376,5652,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7191306,ISDB,YONZCIKAMCMODD-CYZMBNFOSA-N,"InChI=1S/C15H20O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12-13H,4-5,7H2,1-3H3/t10-,12+,13+/m0/s1",CC1=C[C@H]2c3c(C)coc3C[C@H](C)[C@H]2CC1,C15H20O,,216.15141526,YONZCIKAMCMODD,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,3,8.376522302627563 10377,5652,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7191306,ISDB,YONZCIKAMCMODD-UHTWSYAYSA-N,"InChI=1S/C15H20O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12-13H,4-5,7H2,1-3H3/t10-,12+,13-/m0/s1",CC1=C[C@@H]2c3c(C)coc3C[C@H](C)[C@H]2CC1,C15H20O,,216.15141526,YONZCIKAMCMODD,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Verbesina occidentalis,139340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina occidentalis'],4,3,8.376522302627563 10378,5651,-1,,,,0.5186984,ISDB,WOZSNJQYEVOUIT-DPZFKDAJSA-N,"InChI=1S/C26H36O9/c1-12-17(30)10-16-20(33-13(2)27)22-25(7,9-8-18(31)26(22)11-32-26)23(35-15(4)29)21(34-14(3)28)19(12)24(16,5)6/h16,18,20-23,31H,8-11H2,1-7H3/t16-,18-,20+,21+,22-,23-,25+,26+/m0/s1",CC(=O)O[C@@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](O)[C@]4(CO4)[C@@H]13)C2(C)C,C26H36O9,,492.235932732,WOZSNJQYEVOUIT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],3,0,5.074793577194214 10379,5648,-1,,,,0.0,MS1_match,OAGXTVOZBKKJKA-KRWDZBQOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,17,20,22-24H,3-4,8-9,12H2/t17-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O5,pos_1_1sodium,330.1467238039999,OAGXTVOZBKKJKA,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 10380,5648,-1,,,,0.0,MS1_match,BKHDOBRYLMZANE-INIZCTEOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,16,20-21,23-24H,3-4,8-9,12H2/t16-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O5,pos_1_1sodium,330.146723804,BKHDOBRYLMZANE,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 10381,5648,-1,,,,0.0,MS1_match,PCCWBFWMHAMKQV-NYCRBECQSA-N,"InChI=1S/C33H34O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-3,5-10,12-16,24,29,31-34,36-40,42H,4,11,17-18H2/b10-3+,14-7+/t24-,29-,31-,32+,33?/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)OC1OC[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H34O12,pos_2_2proton2acetonitrile,622.205026528,PCCWBFWMHAMKQV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],6,0,6.0 10382,5647,-1,,,,0.0,MS1_match,BYQLYGRDILHOFF-LNKGRISISA-N,"InChI=1S/C20H30O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h6,12,15-16,23H,5,7-11H2,1-4H3,(H,21,22)/t15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O3,pos_1_1sodium,318.21949482,BYQLYGRDILHOFF,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 10383,5647,-1,,,,0.0,MS1_match,SNMGJTHIWYSOSX-YNLIENTKSA-N,"InChI=1S/C20H30O3/c1-14(12-18(22)23)6-8-16-15(2)7-9-17-19(3,13-21)10-5-11-20(16,17)4/h12-13,16-17H,2,5-11H2,1,3-4H3,(H,22,23)/b14-12+/t16-,17+,19-,20-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C=O)[C@@H]1CC/C(C)=C/C(=O)O,C20H30O3,pos_1_1sodium,318.21949482,SNMGJTHIWYSOSX,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 10384,5647,-1,,,,0.0,MS1_match,FTCCXIDYXDLLRK-LCLWPZTBSA-N,"InChI=1S/C20H30O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,16-17,21-23H,5,8-9,11-12H2,1-4H3/t16-,17+,19+,20-/m1/s1",CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O3,pos_1_1sodium,318.21949482,FTCCXIDYXDLLRK,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10385,5647,-1,,,,0.0,MS1_match,HZIPQMQRBXJVNO-KSVKHWKZSA-N,"InChI=1S/C20H30O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-16H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O3,pos_1_1sodium,318.21949482,HZIPQMQRBXJVNO,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 10386,5647,-1,,,,0.0,MS1_match,HZIPQMQRBXJVNO-KSVKHWKZSA-N,"InChI=1S/C20H30O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-16H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,20+/m0/s1",C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C20H30O3,pos_1_1sodium,318.21949482,HZIPQMQRBXJVNO,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,0,6.0 10387,5647,-1,,,,0.0,MS1_match,KLZNBERWPKTMAP-MYOQPVCSSA-N,"InChI=1S/C20H30O3/c1-5-18(2)9-8-15-13(10-18)6-7-16-19(15,3)11-14(21)12-20(16,4)17(22)23/h5,10,14-16,21H,1,6-9,11-12H2,2-4H3,(H,22,23)/t14-,15-,16+,18+,19+,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@@H]3[C@](C)(C[C@H](O)C[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O3,pos_1_1sodium,318.21949482,KLZNBERWPKTMAP,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 10388,5647,-1,,,,0.0,MS1_match,GDAJTKZIGQRGOD-HOJAQTOUSA-N,"InChI=1S/C20H30O3/c1-14(2)16-8-5-7-15(13-16)9-10-17-19(3,18(21)22)11-6-12-20(17,4)23/h5,7-8,13-14,17,23H,6,9-12H2,1-4H3,(H,21,22)/t17-,19+,20+/m1/s1",CC(C)c1cccc(CC[C@H]2[C@@](C)(O)CCC[C@]2(C)C(=O)O)c1,C20H30O3,pos_1_1sodium,318.21949482,GDAJTKZIGQRGOD,Terpenoids,,,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10389,5647,-1,,,,0.0,MS1_match,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,pos_1_1sodium,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 10390,5647,-1,,,,0.0,MS1_match,DYNISIGUMYFVJW-OCBLOMHFSA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O3,pos_1_1sodium,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10391,5647,-1,,,,0.0,MS1_match,GCUMPGCBTUSGIM-MRXNPFEDSA-N,"InChI=1S/C17H34O4/c18-15-11-7-3-5-9-13-16(19)12-8-4-1-2-6-10-14-17(20)21/h16,18-19H,1-15H2,(H,20,21)/t16-/m1/s1",O=C(O)CCCCCCCC[C@@H](O)CCCCCCCO,C17H34O4,pos_1_1potassium,302.245709568,GCUMPGCBTUSGIM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,0,6.0 10392,5646,2903,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton1isopropanol,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 10393,5645,188,Terpenoids,Diterpenoids,Quinolizidine alkaloids,0.6506908,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,3,7.1027631759643555 10394,5644,-1,,,,0.23511343,ISDB,ASBSHOMCYZRGRD-AWEZNQCLSA-N,"InChI=1S/C21H26O5/c1-6-7-15-12-19(24-4)21(20(13-15)25-5)26-14(2)10-16-8-9-17(22)18(11-16)23-3/h6,8-9,11-14,22H,1,7,10H2,2-5H3/t14-/m0/s1",C=CCc1cc(OC)c(O[C@@H](C)Cc2ccc(O)c(OC)c2)c(OC)c1,C21H26O5,,358.1780239319999,ASBSHOMCYZRGRD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Myristica fragrans,710320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Myristica'],['Myristica fragrans'],3,0,3.9404537081718445 10395,5643,791,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.53093636,ISDB,VSNNVRFWSAHGLN-JTQLQIEISA-N,"InChI=1S/C12H20N2O3/c1-8(2)10-6-13(7-11(15)9(3)4)12(16)14(10)17-5/h9-10H,1,6-7H2,2-5H3/t10-/m0/s1",C=C(C)[C@@H]1CN(CC(=O)C(C)C)C(=O)N1OC,C12H20N2O3,,240.1473925,VSNNVRFWSAHGLN,Amino acids and Peptides,,,Alchornea floribunda,3911523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Alchorneae'],['Alchornea'],['Alchornea floribunda'],3,0,5.123745441436768 10396,5642,1154,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.39235368,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,10.069414734840393 10397,5642,1154,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.39235368,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,10.069414734840393 10398,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,VPFWQOBPXAGHDW-SUQDCZRVSA-N,"InChI=1S/C36H56O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,21-29,37,39-42,44H,9-17H2,1-7H3/t18-,21-,22+,23-,24-,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H56O10,pos_2MMg,648.387347992,VPFWQOBPXAGHDW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 10399,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,VPFWQOBPXAGHDW-UHFFFAOYSA-N,"InChI=1S/C36H56O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,21-29,37,39-42,44H,9-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)O,C36H56O10,pos_2MMg,648.387347992,VPFWQOBPXAGHDW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia var. alba,7057128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 10400,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,VPFWQOBPXAGHDW-UHFFFAOYSA-N,"InChI=1S/C36H56O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,21-29,37,39-42,44H,9-17H2,1-7H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)O,C36H56O10,pos_2MMg,648.387347992,VPFWQOBPXAGHDW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sanguisorba tenuifolia,872135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba tenuifolia'],6,0,6.0 10401,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,YINSJSDSZOATAN-UHFFFAOYSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3",CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13C,C36H56O10,pos_2MMg,648.387347992,YINSJSDSZOATAN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 10402,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,YINSJSDSZOATAN-BHYVQMTLSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C2[C@H]1C)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C,C36H56O10,pos_2MMg,648.387347992,YINSJSDSZOATAN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 10403,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,VOJUDERLBZKDIW-BVJLKSDVSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-30,37-43H,2,8-17H2,1,3-6H3/t18-,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_2MMg,648.387347992,VOJUDERLBZKDIW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 10404,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,VOJUDERLBZKDIW-VELQTANFSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-30,37-43H,2,8-17H2,1,3-6H3/t18-,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32-,33+,34-,35-,36+/m1/s1",C=C1[C@H]2C3=CC[C@@H]4[C@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_2MMg,648.387347992,VOJUDERLBZKDIW,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 10405,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,WRHBBCHPHUPWJL-JCMUWHDHSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,21-30,37-43H,8-17H2,1-6H3/t21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O10,pos_2MMg,648.387347992,WRHBBCHPHUPWJL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 10406,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,WRHBBCHPHUPWJL-UHFFFAOYSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,21-30,37-43H,8-17H2,1-6H3",CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1,C36H56O10,pos_2MMg,648.387347992,WRHBBCHPHUPWJL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 10407,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,WRHBBCHPHUPWJL-JCMUWHDHSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,21-30,37-43H,8-17H2,1-6H3/t21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C36H56O10,pos_2MMg,648.387347992,WRHBBCHPHUPWJL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pinfaensis,147313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pinfaensis'],6,0,6.0 10408,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,YUQOBDWWVKXUMV-DUHBLQKFSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_2MMg,648.387347992,YUQOBDWWVKXUMV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus,714542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 10409,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,YUQOBDWWVKXUMV-DUHBLQKFSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_2MMg,648.387347992,YUQOBDWWVKXUMV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 10410,5638,117,Fatty acids,Glycerolipids,Monoacylglycerols,0.0,MS1_match,YUQOBDWWVKXUMV-UJLOYTALSA-N,"InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,C36H56O10,pos_2MMg,648.387347992,YUQOBDWWVKXUMV,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rubus pinfaensis,147313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus pinfaensis'],6,0,6.0 10411,5637,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44526306,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.281052231788635 10412,5635,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5672013,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,2,9.268805265426636 10413,5632,1200,Terpenoids,Triterpenoids,Oleanane triterpenoids,0.6696993,ISDB,NOOITFNOZPQNCR-UHFFFAOYSA-N,"InChI=1S/C35H56O8/c1-30(2)13-15-35(29(39)40)16-14-32(4)20(21(35)17-30)7-8-24-31(3)11-10-26(34(6,41)25(31)9-12-33(24,32)5)43-19-23-28(38)27(37)22(36)18-42-23/h7,21-28,36-38,41H,8-19H2,1-6H3,(H,39,40)",CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OCC6OCC(O)C(O)C6O)C(C)(O)C5CCC43C)C2C1,C35H56O8,,604.3975187519998,NOOITFNOZPQNCR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Pulsatilla dahurica,972663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Pulsatilla'],['Pulsatilla dahurica'],4,3,8.178797245025635 10414,5631,-1,,,,0.64155143,ISDB,MEMJJLCEZJUTHW-ZMSDIMECSA-N,"InChI=1S/C17H24O2/c1-16(2)9-8-15(19)17(3)13-6-5-12(18)10-11(13)4-7-14(16)17/h5-6,10,14-15,18-19H,4,7-9H2,1-3H3/t14-,15+,17+/m0/s1",CC1(C)CC[C@@H](O)[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H24O2,,260.177630008,MEMJJLCEZJUTHW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],3,0,5.566205739974976 10415,5630,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6178638,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,2,6.471455097198486 10416,5629,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.35412973,ISDB,URKKJJQZOARVCY-LBLULPJJSA-N,"InChI=1S/C44H58O4/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-23-35-37(45)27-33(8)38-39-34(9)40(46)43-36(42(39)47-41(35)38)24-26-44(10,48-43)25-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-22,24,26-27,45-46H,11-14,17-18,20,23,25H2,1-10H3/b30-19+,31-21+,32-22?/t44-/m1/s1",CC(C)=CCC/C(C)=C/CCC(C)=CCc1c(O)cc(C)c2c1oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3,C44H58O4,,650.433510336,URKKJJQZOARVCY,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Albatrellus ovinus,140762.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Albatrellaceae'],['Unknown'],['Albatrellus'],['Albatrellus ovinus'],1,0,2.4165189266204834 10417,5627,-1,,,,0.0,MS1_match,IODGQWWTJYDCLN-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O,C17H14O7,pos_1_1proton,330.073952788,IODGQWWTJYDCLN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 10418,5625,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SDNUQXYEIKHCSC-YCRBMUDLSA-N,"InChI=1S/C34H46N2O4/c1-21(35-6)30-28(40-22(2)38)19-34(5)27-14-13-26-24(18-25(27)16-17-33(30,34)4)12-15-29(32(26,3)20-37)36-31(39)23-10-8-7-9-11-23/h7-11,16,18,20-21,26-30,35H,12-15,17,19H2,1-6H3,(H,36,39)/t21-,26+,27+,28+,29-,30-,32-,33+,34-/m0/s1",CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@@]4(C)C=O,C34H46N2O4,pos_1_1proton1isopropanol,546.345757952,SDNUQXYEIKHCSC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,8.5 10419,5622,-1,,,,0.0,MS1_match,XPIXCPCSKJDZLU-UHFFFAOYSA-N,"InChI=1S/C40H34O16/c1-51-28-16-21(4-13-26(28)44)6-14-31(46)52-19-30-34(48)38(55-32(47)15-5-20-2-9-23(41)10-3-20)36(50)40(54-30)56-39-35(49)33-27(45)17-25(43)18-29(33)53-37(39)22-7-11-24(42)12-8-22/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)ccc1O,C40H34O16,pos_1_1sodium,770.184685008,XPIXCPCSKJDZLU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 10420,5621,2001,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.37390313,ISDB,XPIXCPCSKJDZLU-UHFFFAOYSA-N,"InChI=1S/C40H34O16/c1-51-28-16-21(4-13-26(28)44)6-14-31(46)52-19-30-34(48)38(55-32(47)15-5-20-2-9-23(41)10-3-20)36(50)40(54-30)56-39-35(49)33-27(45)17-25(43)18-29(33)53-37(39)22-7-11-24(42)12-8-22/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)ccc1O,C40H34O16,,770.184685008,XPIXCPCSKJDZLU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,8.995612502098083 10421,5620,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SLJNSLIEGINNEE-UHFFFAOYSA-N,"InChI=1S/C37H44O11/c1-19-27(42)17-26-33(45-22(4)39)32-20(2)28(48-30(43)16-15-25-13-11-10-12-14-25)18-29(44-21(3)38)37(32,9)35(47-24(6)41)34(46-23(5)40)31(19)36(26,7)8/h10-16,26,28-29,32-35H,2,17-18H2,1,3-9H3",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(C(OC(C)=O)C12)C3(C)C,C37H44O11,pos_1_1proton1ethylamine,664.288362228,SLJNSLIEGINNEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10422,5619,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,3,8.5 10423,5617,142,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NFSCOXCDAAETPI-UHFFFAOYSA-N,"InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2",O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1O,C39H32O15,pos_1_1sodium,740.174120324,NFSCOXCDAAETPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 10424,5616,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.54380214,ISDB,IXODJGLAVBPVSW-UHFFFAOYSA-N,"InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,26,27)",CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1,C25H43NO,,373.334464996,IXODJGLAVBPVSW,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.175208568572998 10425,5615,-1,,,,0.5061983,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,0,5.0247931480407715 10426,5614,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.5377035,ISDB,YVGKRXPSSLCPSA-UIJKDBGXSA-N,"InChI=1S/C36H58O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(38)33(4,23(32)9-12-35(24,34)6)19-44-29-28(41)27(40)26(39)22(18-37)45-29/h7,21-29,37-41H,8-19H2,1-6H3,(H,42,43)/t21-,22+,23+,24+,25-,26+,27-,28+,29+,32-,33-,34+,35+,36-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O9,,634.408083436,YVGKRXPSSLCPSA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Clematis chinensis,841986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis chinensis'],4,1,6.650814056396484 10427,5613,-1,,,,0.45015743,ISDB,,,,,,,PPANCHFCINNDOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.800629734992981 10428,5612,-1,,,,0.40210456,ISDB,LLHNYOVVRLGLTD-BSGXZWDKSA-N,"InChI=1S/C39H56O2/c1-34(2)20-21-36(5)22-24-38(7)30-17-15-28-29(37(30,6)23-25-39(38,8)31(36)26-34)16-18-32(35(28,3)4)41-33(40)19-14-27-12-10-9-11-13-27/h9-15,19,29-32H,16-18,20-26H2,1-8H3/b19-14+/t29-,30+,31-,32+,36-,37+,38-,39+/m1/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](OC(=O)/C=C/c6ccccc6)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C39H56O2,,556.428031032,LLHNYOVVRLGLTD,Terpenoids,Triterpenoids,Glutinane triterpenoids,Derris laxiflora,383462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris laxiflora'],4,0,5.608418226242065 10429,5610,-1,,,,0.0,MS1_match,AXKQOCLPWRXCRI-ONCXSQPRSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",C=C(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,pos_1_1proton1ammonium,314.188194692,AXKQOCLPWRXCRI,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 10430,5610,-1,,,,0.0,MS1_match,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,pos_1_1proton1ammonium,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 10431,5610,-1,,,,0.0,MS1_match,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,pos_1_1proton1ammonium,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 10432,5610,-1,,,,0.0,MS1_match,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,pos_1_1proton1ammonium,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 10433,5608,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,FTFZXPBVBBJTHV-OGJJZOIMSA-N,"InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C19H20O9,pos_1_1proton,392.11073222,FTFZXPBVBBJTHV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,3,7.5 10434,5607,1124,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2872175,ISDB,MXPXAZNVQUWDFH-NSISKUIASA-N,"InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O4,,330.18310931199994,MXPXAZNVQUWDFH,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,2,8.14886999130249 10435,5607,1124,Terpenoids,Diterpenoids,Abietane diterpenoids,0.2872175,ISDB,MXPXAZNVQUWDFH-NSISKUIASA-N,"InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O4,,330.18310931199994,MXPXAZNVQUWDFH,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,2,8.14886999130249 10436,5606,-1,,,,0.30680415,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,0,2.227216601371765 10437,5606,-1,,,,0.30680415,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,2.227216601371765 10438,5606,-1,,,,0.30680415,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,2.227216601371765 10439,5606,-1,,,,0.30680415,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,0,2.227216601371765 10440,5605,614,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6209456,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4837822914123535 10441,5604,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.8096621,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],3,2,7.238648414611816 10442,5604,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.8096621,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],3,2,7.238648414611816 10443,5603,-1,,,,0.7911869,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,0,8.164747714996338 10444,5603,-1,,,,0.7911869,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,8.164747714996338 10445,5601,-1,,,,0.6611553,ISDB,AJAVHIZBCQNHJK-BQCMLFGMSA-N,"InChI=1S/C25H39NO/c1-16(26-6)17-9-11-23(5)19-8-7-18-21(2,3)20(27)10-12-24(18)15-25(19,24)14-13-22(17,23)4/h10,12,16-19,26H,7-9,11,13-15H2,1-6H3/t16-,17-,18+,19+,22-,23+,24+,25+/m1/s1",CN[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@]45C[C@@]35CC[C@]12C,C25H39NO,,369.303164868,AJAVHIZBCQNHJK,Terpenoids,,,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,9.644621133804321 10446,5600,3496,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,0.22706117,ISDB,MVJQLUWKSUTHBF-YRGYYVIWSA-N,"InChI=1S/C19H36N2O3/c1-5-17(2)15-13-11-9-7-6-8-10-12-14-16-21(23)20-18(3)19(22)24-4/h14,16-18H,5-13,15H2,1-4H3/b16-14-,21-20?/t17?,18-/m0/s1",CCC(C)CCCCCCCCC/C=C\[N+]([O-])=N[C@@H](C)C(=O)OC,C19H36N2O3,,340.272593012,MVJQLUWKSUTHBF,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.4082446694374084 10447,5597,236,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SYDMVWLQJZBPIU-UHFFFAOYSA-N,"InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3",CC(=O)OC1C(=O)C2(CO)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,C31H38O12,pos_1_1proton1ethylamine,602.236326656,SYDMVWLQJZBPIU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10448,5595,1633,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5752569,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,0,6.301027536392212 10449,5595,1633,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5752569,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,0,6.301027536392212 10450,5595,1633,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5752569,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema furfuracea,5700083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema furfuracea'],4,0,6.301027536392212 10451,5594,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZJVSTIUIDCVZPW-CLLHIRHQSA-N,"InChI=1S/C30H44N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25,27,33H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,27+,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H44N2O2,pos_1_1proton1isopropanol,464.340278648,ZJVSTIUIDCVZPW,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,0,6.0 10452,5593,3146,Terpenoids,Diterpenoids,Taxane diterpenoids,0.28309578,ISDB,KPOWRRDYXUYBJR-UHFFFAOYSA-N,"InChI=1S/C41H55NO14/c1-20-28(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)18-30(52-23(4)44)40(10)32(20)36(54-25(6)46)41(50)19-29(51-22(3)43)21(2)31(39(41,8)9)35(53-24(5)45)37(40)55-26(7)47/h13-17,28-30,32-37,48,50H,1,18-19H2,2-12H3",C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C41H55NO14,,785.36225544,KPOWRRDYXUYBJR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.632383108139038 10453,5592,116,Terpenoids,Diterpenoids,Abietane diterpenoids,0.71188617,ISDB,IPWSPRRNUSUFPS-QGZVFWFLSA-N,"InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h5-6,9-12,17,20H,7-8H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CC=CC(C)(C)[C@@H]1CC2,C19H24O,,268.182715388,IPWSPRRNUSUFPS,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis pisifera,883814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis pisifera'],3,3,7.3475446701049805 10454,5591,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7032097,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,11.312838792800903 10455,5591,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7032097,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,11.312838792800903 10456,5590,-1,,,,0.7115903,ISDB,PVKZZNPKFFWKRA-HNNXBMFYSA-N,"InChI=1S/C17H18O4/c1-19-13-5-3-11(4-6-13)15-8-7-14-16(20-2)9-12(18)10-17(14)21-15/h3-6,9-10,15,18H,7-8H2,1-2H3/t15-/m0/s1",COc1ccc([C@@H]2CCc3c(OC)cc(O)cc3O2)cc1,C17H18O4,,286.120509056,PVKZZNPKFFWKRA,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Pancratium biflorum,3994692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Pancratium'],['Pancratium biflorum'],3,0,5.84636116027832 10457,5590,-1,,,,0.7115903,ISDB,PVKZZNPKFFWKRA-HNNXBMFYSA-N,"InChI=1S/C17H18O4/c1-19-13-5-3-11(4-6-13)15-8-7-14-16(20-2)9-12(18)10-17(14)21-15/h3-6,9-10,15,18H,7-8H2,1-2H3/t15-/m0/s1",COc1ccc([C@@H]2CCc3c(OC)cc(O)cc3O2)cc1,C17H18O4,,286.120509056,PVKZZNPKFFWKRA,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],3,0,5.84636116027832 10458,5589,512,Polyketides,Aromatic polyketides,Catechols with side chains,0.5414638,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,3,7.665855169296265 10459,5588,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZWHJUGHQRBGBPG-CHXMCPJFSA-N,"InChI=1S/C32H52N2O2/c1-11-20(2)27(35)36-22-18-30(7)24-13-12-23-28(4,5)25(34(9)10)14-15-31(23)19-32(24,31)17-16-29(30,6)26(22)21(3)33-8/h11-13,21-26,33H,14-19H2,1-10H3/b20-11+/t21-,22-,23+,24+,25+,26+,29-,30+,31-,32+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@@H](C)NC,C32H52N2O2,pos_1_1proton,496.402878904,ZWHJUGHQRBGBPG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10460,5587,1946,Carbohydrates,Polyols,Amino cyclitols,0.59359306,ISDB,LVWCJJGPEHPHJN-OFIDPPGASA-N,"InChI=1S/C14H30N4O4/c1-18-11-10(20-2)5-9(17)13(12(11)19)22-14-8(16)4-3-7(6-15)21-14/h7-14,18-19H,3-6,15-17H2,1-2H3/t7-,8+,9-,10-,11-,12+,13+,14+/m0/s1",CN[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@@H](N)C[C@@H]1OC,C14H30N4O4,,318.22670544,LVWCJJGPEHPHJN,Carbohydrates,Polyols,Amino cyclitols,Streptomyces tenjimariensis,222525.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces tenjimariensis'],0,3,3.8743722438812256 10461,5585,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_1_1sodium,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10462,5585,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_1_1sodium,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10463,5584,1054,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.41169035,ISDB,VWHNJBKOOIZSEF-AOIXHVRESA-N,"InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1",CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1,C24H32O4,,384.230059504,VWHNJBKOOIZSEF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Phyllanthus engleri,3908831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus engleri'],3,3,6.146761417388916 10464,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga bracteosa,5793030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga bracteosa'],3,0,5.91094183921814 10465,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria discolor,5793077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria discolor'],3,0,5.91094183921814 10466,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum brachyanthum,6086123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum brachyanthum'],3,0,5.91094183921814 10467,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria albida,5793091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria albida'],3,0,5.91094183921814 10468,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum infortunatum,460156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum infortunatum'],3,0,5.91094183921814 10469,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga integrifolia,6086036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga integrifolia'],3,0,5.91094183921814 10470,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum,274806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Unknown'],3,0,5.91094183921814 10471,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria violacea,5793117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria violacea'],3,0,5.91094183921814 10472,5583,-1,,,,0.72773546,ISDB,CNIWQELMLPUFOS-HNYRCEHSSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@@](C)([C@H]3C[C@@H]4C=CO[C@@H]4O3)[C@@H]1CCC[C@@]21CO1,C24H34O7,,434.230453428,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Tripora divaricata,503293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Tripora'],['Tripora divaricata'],3,0,5.91094183921814 10473,5582,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.4648428,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.359371185302734 10474,5580,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.2905187,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,2,8.16207480430603 10475,5579,-1,,,,0.5963642,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.385456800460815 10476,5578,-1,,,,0.5455499,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,7.182199716567993 10477,5577,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7634588,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.553835153579712 10478,5577,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7634588,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.553835153579712 10479,5577,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7634588,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.553835153579712 10480,5577,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7634588,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.553835153579712 10481,5577,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7634588,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.553835153579712 10482,5575,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_2MNa,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10483,5575,-1,,,,0.0,MS1_match,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,pos_2MNa,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 10484,5574,548,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43512678,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.240507125854492 10485,5573,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3475741,ISDB,LBHNBCSSFWFWIR-OSTWSGHESA-N,"InChI=1S/C21H30O5/c1-13(2)20-9-10-21(26-25-20)14(12-20)15(22)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h12-13,16H,6-11H2,1-5H3/t16-,18+,19-,20+,21-/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3,C21H30O5,,362.20932406,LBHNBCSSFWFWIR,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.890296459197998 10486,5571,2304,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.4753582,ISDB,DXJCPZYEMVPDFE-MQVHPIAMSA-N,"InChI=1S/C35H54O9/c1-30(2)13-15-35(29(41)42)16-14-32(4)19(20(35)17-30)7-8-22-31(3)11-10-24(44-27-26(38)25(37)21(36)18-43-27)34(6,28(39)40)23(31)9-12-33(22,32)5/h7,20-27,36-38H,8-18H2,1-6H3,(H,39,40)(H,41,42)/t20-,21-,22+,23+,24-,25-,26+,27-,31+,32+,33+,34-,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H54O9,,618.376783308,DXJCPZYEMVPDFE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Paronychia chionaea,6036734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Paronychia'],['Paronychia chionaea'],4,1,6.401432752609253 10487,5571,2304,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.4753582,ISDB,DXJCPZYEMVPDFE-HSTYGQCDSA-N,"InChI=1S/C35H54O9/c1-30(2)13-15-35(29(41)42)16-14-32(4)19(20(35)17-30)7-8-22-31(3)11-10-24(44-27-26(38)25(37)21(36)18-43-27)34(6,28(39)40)23(31)9-12-33(22,32)5/h7,20-27,36-38H,8-18H2,1-6H3,(H,39,40)(H,41,42)/t20-,21+,22+,23+,24-,25-,26+,27-,31+,32+,33+,34-,35-/m0/s1",CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H54O9,,618.376783308,DXJCPZYEMVPDFE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Saponaria officinalis,842209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Saponaria'],['Saponaria officinalis'],4,1,6.401432752609253 10488,5568,2672,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RRXYKLNOTDQWHQ-NYZVHOIDSA-N,"InChI=1S/C38H46O13/c1-20-28(51-30(44)15-14-25-12-10-9-11-13-25)16-26(18-46-21(2)39)36(7)31(20)32(48-22(3)40)27-17-29(43)37(8)38(45,35(27,6)19-47-37)34(50-24(5)42)33(36)49-23(4)41/h9-15,26-28,31-34,45H,1,16-19H2,2-8H3/b15-14+/t26-,27+,28+,31+,32-,33+,34+,35+,36-,37-,38+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](COC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C38H46O13,pos_1_1proton1ethylamine,710.293841532,RRXYKLNOTDQWHQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10489,5567,1633,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.57345253,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.79381012916565 10490,5565,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 10491,5565,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 10492,5564,639,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,IXXWTERKUADIKZ-DNQXCXABSA-N,"InChI=1S/C30H22O6/c1-13-9-17-23(15-5-3-7-19(31)25(15)29(35)27(17)21(33)11-13)24-16-6-4-8-20(32)26(16)30(36)28-18(24)10-14(2)12-22(28)34/h3-12,23-24,31-34H,1-2H3/t23-,24-/m1/s1",Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O,C30H22O6,pos_2_2proton,478.1416384239999,IXXWTERKUADIKZ,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 10493,5564,639,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,IXXWTERKUADIKZ-DNQXCXABSA-N,"InChI=1S/C30H22O6/c1-13-9-17-23(15-5-3-7-19(31)25(15)29(35)27(17)21(33)11-13)24-16-6-4-8-20(32)26(16)30(36)28-18(24)10-14(2)12-22(28)34/h3-12,23-24,31-34H,1-2H3/t23-,24-/m1/s1",Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O,C30H22O6,pos_2_2proton,478.1416384239999,IXXWTERKUADIKZ,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 10494,5564,639,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,CECFRXAAINWUNH-UHFFFAOYSA-N,"InChI=1S/C30H22O6/c1-13-8-16-12-15-6-7-18(28(34)24(15)29(35)23(16)21(32)10-13)25-17-4-3-5-20(31)26(17)30(36)27-19(25)9-14(2)11-22(27)33/h3-11,25,31-34H,12H2,1-2H3",Cc1cc(O)c2c(c1)Cc1ccc(C3c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=O,C30H22O6,pos_2_2proton,478.1416384239999,CECFRXAAINWUNH,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Karwinskia parvifolia,5763245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Karwinskia'],['Karwinskia parvifolia'],7,3,8.5 10495,5563,142,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NFSCOXCDAAETPI-WJIUUTPXSA-N,"InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+/t29-,33-,35-,37+,39+/m0/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]1O,C39H32O15,pos_1_1sodium,740.174120324,NFSCOXCDAAETPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,3,7.5 10496,5561,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.65653706,ISDB,DAQJYUCPSHWKIR-RCOKLKMLSA-N,"InChI=1S/C25H35NO/c1-6-16-12-25-14-19(25)17-13-24(11-9-21(26-5)22(24,2)3)10-7-8-18(17)23(25,4)15-20(16)27/h7-8,10,13,16,19,21,26H,6,9,11-12,14-15H2,1-5H3/t16-,19+,21-,23-,24-,25+/m0/s1",CC[C@H]1C[C@@]23C[C@@H]2C2=C[C@]4(C=CC=C2[C@]3(C)CC1=O)CC[C@H](NC)C4(C)C,C25H35NO,,365.27186474,DAQJYUCPSHWKIR,Terpenoids,Diterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.626148223876953 10497,5560,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.6465207,ISDB,SGHXLRHVQDPMOF-LUKYLMHMSA-N,"InChI=1S/C19H30N2O3/c1-3-4-5-7-15-11-17(24-19(22)18-8-6-9-20-18)12-16-10-14(2)23-13-21(15)16/h6,8-9,14-17,20H,3-5,7,10-13H2,1-2H3/t14-,15-,16-,17+/m0/s1",CCCCC[C@H]1C[C@@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@H](C)OCN21,C19H30N2O3,,334.22564282,SGHXLRHVQDPMOF,Alkaloids,Lysine alkaloids,,Hyperaspis campestris,3355390.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Coccinellidae'],['Hyperaspidini'],['Hyperaspis'],['Hyperaspis campestris'],1,2,4.586082696914673 10498,5559,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.37384903,ISDB,NFSCOXCDAAETPI-UHFFFAOYSA-N,"InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2",O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1O,C39H32O15,,740.174120324,NFSCOXCDAAETPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,8.995396137237549 10499,5558,-1,,,,0.67166126,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,0,5.686645030975342 10500,5558,-1,,,,0.67166126,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,0,5.686645030975342 10501,5558,-1,,,,0.67166126,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,0,5.686645030975342 10502,5558,-1,,,,0.67166126,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,0,5.686645030975342 10503,5558,-1,,,,0.67166126,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,0,5.686645030975342 10504,5557,-1,,,,0.7587614,ISDB,FVSNLPIDBSKTGH-UHFFFAOYSA-N,"InChI=1S/C14H22N2O2/c1-10(2)5-3-7-14(18)15-13-9-12(17)11-6-4-8-16(11)13/h9-11H,3-8H2,1-2H3,(H,15,18)",CC(C)CCCC(=O)NC1=CC(=O)C2CCCN12,C14H22N2O2,,250.168127944,FVSNLPIDBSKTGH,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Xenorhabdus stockiae,896280.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Morganellaceae'],['Unknown'],['Xenorhabdus'],['Xenorhabdus stockiae'],0,0,3.035045623779297 10505,5556,596,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZBAXKKOXPLOBX-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3",COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1,C17H14O6,pos_1_1proton,314.07903816799995,KZBAXKKOXPLOBX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,3,8.5 10506,5554,-1,,,,0.43089285,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,7.723571419715881 10507,5554,-1,,,,0.43089285,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,7.723571419715881 10508,5554,-1,,,,0.43089285,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,7.723571419715881 10509,5554,-1,,,,0.43089285,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,7.723571419715881 10510,5553,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70039,ISDB,OXKJXQWUKRTLGT-QGZVFWFLSA-N,"InChI=1S/C19H26O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h6,10-12,17,20H,5,7-9H2,1-4H3/t17-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2,C19H26O,,270.198365452,OXKJXQWUKRTLGT,Terpenoids,Diterpenoids,Icetexane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,2,6.801559925079346 10511,5551,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.75334287,ISDB,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.513371467590332 10512,5550,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6792876,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.217150449752808 10513,5549,-1,,,,0.5761068,ISDB,RFOCIKIRPCYOTG-QYYSKZFYSA-N,"InChI=1S/C24H32O6/c1-11(2)24-12(25)10-22(5,28)17(24)13-14(19(24)26)23-9-7-8-21(3,4)18(23)16(15(13)29-6)30-20(23)27/h11,15-18,28H,7-10H2,1-6H3/t15-,16+,17-,18-,22-,23-,24+/m0/s1",CO[C@H]1C2=C(C(=O)[C@]3(C(C)C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C24H32O6,,416.219888744,RFOCIKIRPCYOTG,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia apiana,466625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia apiana'],3,0,5.304427146911621 10514,5547,388,Terpenoids,Triterpenoids,Limonoids,0.25355193,ISDB,OQLGEBFKDSZURT-CHMGBORNSA-N,"InChI=1S/C26H32O7/c1-14-16-6-8-24(4)22(15-7-9-31-13-15)32-21(30)12-26(14,24)33-19-11-18(27)23(2,3)17(10-20(28)29)25(16,19)5/h7,9,13,16-17,19,22H,1,6,8,10-12H2,2-5H3,(H,28,29)/t16-,17-,19-,22-,24-,25+,26-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)O)[C@]12C,C26H32O7,,456.214803364,OQLGEBFKDSZURT,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,3,5.514207720756531 10515,5547,388,Terpenoids,Triterpenoids,Limonoids,0.25355193,ISDB,OQLGEBFKDSZURT-CHMGBORNSA-N,"InChI=1S/C26H32O7/c1-14-16-6-8-24(4)22(15-7-9-31-13-15)32-21(30)12-26(14,24)33-19-11-18(27)23(2,3)17(10-20(28)29)25(16,19)5/h7,9,13,16-17,19,22H,1,6,8,10-12H2,2-5H3,(H,28,29)/t16-,17-,19-,22-,24-,25+,26-/m0/s1",C=C1[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)O)[C@]12C,C26H32O7,,456.214803364,OQLGEBFKDSZURT,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,3,5.514207720756531 10516,5546,-1,,,,0.39329714,ISDB,DWHTYLMRWXUGJL-DJIMGWMZSA-N,"InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)/t14-,16-,17-/m1/s1",C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H22O3,,274.156894564,DWHTYLMRWXUGJL,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.573188543319702 10517,5545,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,pos_1_1proton,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,1,6.5 10518,5545,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,pos_1_1proton,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 10519,5545,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ANNNBEZJTNCXHY-NSCUHMNNSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+",COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O,C15H14O4,pos_1_1proton,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 10520,5545,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,pos_1_1proton,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 10521,5545,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ANNNBEZJTNCXHY-NSCUHMNNSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+",COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O,C15H14O4,pos_1_1proton,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 10522,5545,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,pos_1_1proton,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 10523,5544,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,AMZWKSYAMHGGSR-IPYPFGDCSA-N,"InChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h5-6,8,12-13,16H,7,9-10H2,1-4H3/t12-,13+,15+/m1/s1",CC1=CC=C[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12,C15H24O,pos_1_1proton1acetonitrile,220.182715388,AMZWKSYAMHGGSR,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,1,7.5 10524,5544,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,KOMASUWOXAIAJL-MJBXVCDLSA-N,"InChI=1S/C15H24O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h6,12-14,16H,1,5,7-9H2,2-4H3/t12-,13+,14-/m0/s1",C=C1CC[C@H](C(C)(C)O)C[C@H]2C(C)=CC[C@H]12,C15H24O,pos_1_1proton1acetonitrile,220.182715388,KOMASUWOXAIAJL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,1,7.5 10525,5544,734,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_1proton1acetonitrile,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,1,7.5 10526,5542,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.29293805,ISDB,STJJUSLIASGPDV-UHFFFAOYSA-N,"InChI=1S/C35H62O9/c1-3-4-5-6-7-8-9-10-11-12-19-30(39)32-21-22-33(43-32)31(40)20-14-13-16-28(37)24-29(38)18-15-17-27(36)23-26-25-35(2,42)44-34(26)41/h25,27,29-33,36,38-40,42H,3-24H2,1-2H3",CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(=O)CC(O)CCCC(O)CC2=CC(C)(O)OC2=O)O1,C35H62O9,,626.439383564,STJJUSLIASGPDV,Polyketides,Linear polyketides,Acetogenins,Annona muricata,303957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona muricata'],4,0,5.171752214431763 10527,5542,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.29293805,ISDB,STJJUSLIASGPDV-UHFFFAOYSA-N,"InChI=1S/C35H62O9/c1-3-4-5-6-7-8-9-10-11-12-19-30(39)32-21-22-33(43-32)31(40)20-14-13-16-28(37)24-29(38)18-15-17-27(36)23-26-25-35(2,42)44-34(26)41/h25,27,29-33,36,38-40,42H,3-24H2,1-2H3",CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(=O)CC(O)CCCC(O)CC2=CC(C)(O)OC2=O)O1,C35H62O9,,626.439383564,STJJUSLIASGPDV,Polyketides,Linear polyketides,Acetogenins,Annona montana,187700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona montana'],4,0,5.171752214431763 10528,5541,-1,,,,0.0,MS1_match,YDGALDXSZGMRLF-LWFMFQAFSA-N,"InChI=1S/C20H34O4/c1-17(2,23)20(24)9-6-14-13(11-20)15(22)10-16-18(3,12-21)7-5-8-19(14,16)4/h11,14-16,21-24H,5-10,12H2,1-4H3/t14-,15+,16-,18-,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H34O4,pos_1_1sodium,338.245709568,YDGALDXSZGMRLF,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 10529,5540,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MBZYQIZHDWRHKZ-CIGOLHFESA-N,"InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(37(7,8)46)20-30(47-23(3)41)22(2)32(39)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28-,29+,30+,33+,34-,35+,36+,38-,39+/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C39H53NO11,pos_1_1proton,711.361861516,MBZYQIZHDWRHKZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10530,5538,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,CNUYQHVJXXHWTA-GHNVHIJPSA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,27+,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_2MCa,466.355928712,CNUYQHVJXXHWTA,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 10531,5538,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,CNUYQHVJXXHWTA-HPZHWEIISA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,27-,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_2MCa,466.355928712,CNUYQHVJXXHWTA,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,2,7.0 10532,5538,452,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,XIHQWIIPJIXLEO-FXHHUKKCSA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)23-13-14-24-22-12-11-21-17-26(31-28(34)20-9-7-6-8-10-20)27(33)18-30(21,3)25(22)15-16-29(23,24)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_2MCa,466.355928712,XIHQWIIPJIXLEO,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 10533,5537,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.293653,ISDB,OPAGPKVLDRPUHT-GGCQEPFQSA-N,"InChI=1S/C37H49NO10/c1-20-28(45-21(2)39)16-26-30(46-22(3)40)15-25-19-37(7,35(44)34(43)33(20)36(26,5)6)31(47-23(4)41)18-29(25)48-32(42)17-27(38(8)9)24-13-11-10-12-14-24/h10-15,26-31,34,43H,16-19H2,1-9H3/b25-15+/t26-,27+,28-,29-,30-,31-,34+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)C[C@H](c1ccccc1)N(C)C,C37H49NO10,,667.335646768,OPAGPKVLDRPUHT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,8.674612045288086 10534,5536,1628,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.32041726,ISDB,DJDRIWQODSGIRC-OPSLWGRGSA-N,"InChI=1S/C29H48N2O/c1-19(30(6)7)23-14-16-29(5)25-11-10-24-21(17-22(25)13-15-28(23,29)4)9-12-26-27(24,3)18-32-20(2)31(26)8/h13,17,19-20,23-26H,9-12,14-16,18H2,1-8H3/t19-,20-,23+,24+,25+,26-,27-,28+,29-/m0/s1",C[C@@H]1OC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@]5(C)[C@@H]([C@H](C)N(C)C)CC[C@@]45C)C=C3CC[C@@H]2N1C,C29H48N2O,,440.376664156,DJDRIWQODSGIRC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,10.781669020652771 10535,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 10536,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 10537,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 10538,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-JTHNCSCQSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17+,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@H]1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,7.5 10539,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 10540,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-BUFXCDORSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,7.5 10541,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,7.5 10542,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 10543,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 10544,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 10545,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-JTHNCSCQSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17+,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@H]1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,7.5 10546,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 10547,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-BUFXCDORSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,7.5 10548,5531,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,7.5 10549,5530,-1,,,,0.57203346,ISDB,DQIXENSCQIXIKS-ZKCHJGMBSA-N,"InChI=1S/C15H18O6/c1-9-12(17)13(18)14(19)15(20-9)21-11(16)8-7-10-5-3-2-4-6-10/h2-9,12-15,17-19H,1H3/b8-7+/t9-,12-,13+,14+,15+/m1/s1",C[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O,C15H18O6,,294.11033829599995,DQIXENSCQIXIKS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],3,0,5.288133859634399 10550,5530,-1,,,,0.57203346,ISDB,DQIXENSCQIXIKS-QZTXVWOASA-N,"InChI=1S/C15H18O6/c1-9-12(17)13(18)14(19)15(20-9)21-11(16)8-7-10-5-3-2-4-6-10/h2-9,12-15,17-19H,1H3/b8-7+/t9-,12-,13-,14+,15-/m0/s1",C[C@@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O,C15H18O6,,294.110338296,DQIXENSCQIXIKS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],3,0,5.288133859634399 10551,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 10552,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 10553,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 10554,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 10555,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 10556,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 10557,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 10558,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 10559,5529,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 10560,5528,-1,,,,0.0,MS1_match,OXARWFHMBHALJA-HKGBUXQTSA-N,"InChI=1S/C18H16O4/c19-9-1-2-12-3-8-17-15(10-12)16(11-20)18(22-17)13-4-6-14(21)7-5-13/h1-10,16,18,20-21H,11H2/b2-1+/t16-,18+/m0/s1",O=C/C=C/c1ccc2c(c1)[C@H](CO)[C@@H](c1ccc(O)cc1)O2,C18H16O4,pos_2_2proton,296.104858992,OXARWFHMBHALJA,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,6.0 10561,5528,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 10562,5524,452,Terpenoids,Steroids,Steroidal alkaloids,0.42008483,ISDB,NKIWJNBJTMMKSE-MALBGOLISA-N,"InChI=1S/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)37-25-32-28(35)31(36)24-29(2,3)23-26(31)30(4)21-22-33(30,32)38-32/h12-13,26,36H,5-11,14-25H2,1-4H3/b13-12+/t26-,30-,31+,32-,33+/m1/s1",CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@]12O[C@]13CC[C@]3(C)[C@H]1CC(C)(C)C[C@@]1(O)C2=O,C33H54O5,,530.397124828,NKIWJNBJTMMKSE,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,Lactarius atlanticus,87759.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Russulaceae'],['Unknown'],['Lactarius'],['Lactarius atlanticus'],1,1,3.1803393363952637 10563,5523,-1,,,,0.0,MS1_match,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,pos_1_1proton,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10564,5523,-1,,,,0.0,MS1_match,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,pos_1_1proton,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10565,5523,-1,,,,0.0,MS1_match,DNYDYJVMCPIMMQ-BZTLBABMSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,39H,13-16,18,20-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21,C35H50N2O4,pos_1_1proton,562.37705808,DNYDYJVMCPIMMQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10566,5522,155,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.47301733,ISDB,KJENSRFCLYHWHZ-GFCZYIHWSA-N,"InChI=1S/C35H48N2O4/c1-22(37(6)7)30-27(41-23(2)38)20-34(5)26-13-14-28-32(3)21-40-35(28,19-25(26)15-17-33(30,34)4)18-16-29(32)36-31(39)24-11-9-8-10-12-24/h8-12,15-16,18,22,26-30H,13-14,17,19-21H2,1-7H3,(H,36,39)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O4,,560.361408016,KJENSRFCLYHWHZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,10.392069339752197 10567,5521,-1,,,,0.0,MS1_match,FTHZYAMPYHOOTQ-RZLDTGGBSA-N,"InChI=1S/C33H50N2O3/c1-21(35(5)6)27-23(37)18-31(4)25-13-12-24-29(2,20-36)26(34-28(38)22-10-8-7-9-11-22)14-15-32(24)19-33(25,32)17-16-30(27,31)3/h7-11,21,23-27,36-37H,12-20H2,1-6H3,(H,34,38)/t21-,23+,24-,25-,26-,27-,29+,30+,31-,32+,33-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C33H50N2O3,pos_1_1proton1methanol,522.38214346,FTHZYAMPYHOOTQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10568,5520,-1,,,,0.6711198,ISDB,ZVFHKEBIIJSDDV-UHFFFAOYSA-N,"InChI=1S/C20H30O4/c1-12(2)19-8-9-20(24-19)13(14(21)11-19)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h12-13,15H,5-11H2,1-4H3,(H,22,23)",CC(C)C12CCC3(O1)C(CC1C(C)(C(=O)O)CCCC13C)C(=O)C2,C20H30O4,,334.21440944,ZVFHKEBIIJSDDV,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,7.684479236602783 10569,5518,-1,,,,0.56656367,ISDB,NDEQJXOUOQJARH-DYZYQPBXSA-N,"InChI=1S/C20H18O7/c1-10-17(11-4-6-13(21)14(8-11)23-2)27-20-18-12(5-7-16(22)26-18)9-15(24-3)19(20)25-10/h4-10,17,21H,1-3H3/t10-,17+/m0/s1",COc1cc([C@@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@H]2C)ccc1O,C20H18O7,,370.105252916,NDEQJXOUOQJARH,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Melochia chamaedrys,6115751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Melochia'],['Melochia chamaedrys'],6,0,8.266254663467407 10570,5517,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1isopropanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10571,5517,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1isopropanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10572,5517,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1methanol,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10573,5516,-1,,,,0.45100078,ISDB,AYDJDNNMKHXZOQ-DFQSSKMNSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19+,20+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],7,0,8.804003119468689 10574,5515,2469,Alkaloids,Steroids,Steroidal alkaloids,0.6177249,ISDB,YICYZYBWKREESQ-FXMMMBMNSA-N,"InChI=1S/C27H41NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16,19-25,29H,2,5,7-15H2,1,3-4H3/t16-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C=C1[C@@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12,C27H41NO,,395.318814932,YICYZYBWKREESQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Fritillaria anhuiensis,117448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria anhuiensis'],4,3,7.97089958190918 10575,5514,329,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,0.5040688,ISDB,ONVBTIRUZXIQMC-IUODEOHRSA-N,"InChI=1S/C15H24O/c1-11-7-9-15(4)12(10-11)14(2,3)8-5-6-13(15)16/h10,12H,5-9H2,1-4H3/t12-,15-/m1/s1",CC1=C[C@@H]2C(C)(C)CCCC(=O)[C@]2(C)CC1,C15H24O,,220.182715388,ONVBTIRUZXIQMC,Terpenoids,Sesquiterpenoids,Allohimachalane sesquiterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,2,8.01627516746521 10576,5513,1194,Amino acids and Peptides,Oligopeptides,Linear peptides,0.33248377,ISDB,FAXGPCHRFPCXOO-LXTPJMTPSA-N,"InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1",CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C,C34H63N5O9,,685.4625785960002,FAXGPCHRFPCXOO,Amino acids and Peptides,Oligopeptides,Linear peptides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.829935073852539 10577,5512,-1,,,,0.0,MS1_match,SFKPSOAYNYYOLN-IBWRYCSWSA-N,"InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O,pos_1_1proton1methanol,450.361014092,SFKPSOAYNYYOLN,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 10578,5512,-1,,,,0.0,MS1_match,SFKPSOAYNYYOLN-ZDRDPXIKSA-N,"InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22+,23-,24-,25+,26-,27-,29-,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O,pos_1_1proton1methanol,450.361014092,SFKPSOAYNYYOLN,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,0,6.0 10579,5512,-1,,,,0.0,MS1_match,NISGMKNSSUMSSN-DHXMEVIDSA-N,"InChI=1S/C30H46N2O/c1-20(31-4)25-13-14-26-24-12-11-22-19-23(32(5)28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27,31H,11-19H2,1-5H3/t20-,22+,23+,24+,25-,26+,27+,29+,30-/m1/s1",CN[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C30H46N2O,pos_1_1proton1methanol,450.361014092,NISGMKNSSUMSSN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 10580,5511,-1,,,,0.73034734,ISDB,ZOWUCBLBJJSKFF-KAKPMPKCSA-N,"InChI=1S/C21H28O6/c1-10-11-5-6-12-20(9-11,15(10)22)17(24)26-13-7-8-19(2,3)14-16(23)27-18(25-4)21(12,13)14/h11-14,16,18,23H,1,5-9H2,2-4H3/t11-,12-,13+,14-,16-,18-,20+,21+/m1/s1",C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12[C@H](OC)O[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O,C21H28O6,,376.188588616,ZOWUCBLBJJSKFF,Terpenoids,Diterpenoids,Secokaurane diterpenoids,Isodon serra,364890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon serra'],3,0,5.92138934135437 10581,5510,1628,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.53652483,ISDB,QILSEMOPVAZWLY-DSJRXEMUSA-N,"InChI=1S/C28H46N2O/c1-19(29(5)6)22-13-15-28(4)24-10-9-23-20(16-21(24)12-14-27(22,28)3)8-11-25-26(23,2)17-31-18-30(25)7/h12,16,19,22-25H,8-11,13-15,17-18H2,1-7H3/t19-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C)N(C)C,C28H46N2O,,426.361014092,QILSEMOPVAZWLY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.646099328994751 10582,5509,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KJENSRFCLYHWHZ-GFCZYIHWSA-N,"InChI=1S/C35H48N2O4/c1-22(37(6)7)30-27(41-23(2)38)20-34(5)26-13-14-28-32(3)21-40-35(28,19-25(26)15-17-33(30,34)4)18-16-29(32)36-31(39)24-11-9-8-10-12-24/h8-12,15-16,18,22,26-30H,13-14,17,19-21H2,1-7H3,(H,36,39)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O4,pos_1_1proton1methanol,560.361408016,KJENSRFCLYHWHZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,8.5 10583,5509,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LEZNRQJMGICGFC-ZQRJVKGGSA-N,"InChI=1S/C35H48N2O4/c1-21(37(6)7)30-29(41-22(2)38)19-35(5)27-14-13-26-25(17-24(27)15-16-34(30,35)4)18-28-31(33(26,3)20-40-28)36-32(39)23-11-9-8-10-12-23/h8-12,15,18,21,26-31H,13-14,16-17,19-20H2,1-7H3,(H,36,39)/t21-,26+,27+,28+,29+,30-,31-,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@H]5OC[C@]4(C)[C@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O4,pos_1_1proton1methanol,560.361408016,LEZNRQJMGICGFC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,8.5 10584,5509,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VPLQJQHDLIDIFV-IVCHFRTESA-N,"InChI=1S/C35H48N2O4/c1-21(37(6)7)30-28(41-22(2)38)19-35(5)26-18-27-31-25(17-24(26)15-16-34(30,35)4)13-14-29(33(31,3)20-40-27)36-32(39)23-11-9-8-10-12-23/h8-12,15,17,21,26-31H,13-14,16,18-20H2,1-7H3,(H,36,39)/t21-,26+,27-,28+,29-,30-,31-,33+,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)CCC(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O4,pos_1_1proton1methanol,560.361408016,VPLQJQHDLIDIFV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,8.5 10585,5508,-1,,,,0.0,MS1_match,OAGXTVOZBKKJKA-KRWDZBQOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,17,20,22-24H,3-4,8-9,12H2/t17-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O5,pos_1_1sodium,330.1467238039999,OAGXTVOZBKKJKA,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 10586,5508,-1,,,,0.0,MS1_match,BKHDOBRYLMZANE-INIZCTEOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,16,20-21,23-24H,3-4,8-9,12H2/t16-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O5,pos_1_1sodium,330.146723804,BKHDOBRYLMZANE,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 10587,5508,-1,,,,0.0,MS1_match,PCCWBFWMHAMKQV-NYCRBECQSA-N,"InChI=1S/C33H34O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-3,5-10,12-16,24,29,31-34,36-40,42H,4,11,17-18H2/b10-3+,14-7+/t24-,29-,31-,32+,33?/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)OC1OC[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H34O12,pos_2_2proton2acetonitrile,622.205026528,PCCWBFWMHAMKQV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],6,0,6.0 10588,5505,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.28498513,ISDB,RQCUMDRLAXJWLZ-UHFFFAOYSA-N,"InChI=1S/C32H54N6O7/c1-18(2)15-25(36-28(40)23(34)17-21-10-12-22(39)13-11-21)29(41)37-26(16-19(3)4)30(42)38-27(20(5)6)31(43)35-24(32(44)45)9-7-8-14-33/h10-13,18-20,23-27,39H,7-9,14-17,33-34H2,1-6H3,(H,35,43)(H,36,40)(H,37,41)(H,38,42)(H,44,45)",CC(C)CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C,C32H54N6O7,,634.4053980680001,RQCUMDRLAXJWLZ,Amino acids and Peptides,Oligopeptides,Linear peptides,Phytolacca americana,216619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Phytolaccaceae'],['Unknown'],['Phytolacca'],['Phytolacca americana'],4,0,5.139940500259399 10589,5504,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FKDZVYSKSQDUKG-LAPIOUSSSA-N,"InChI=1S/C39H48O13/c1-21-31(47-23(3)41)18-30-34(49-25(5)43)17-29(20-40)33(52-35(46)16-15-28-13-11-10-12-14-28)19-32(48-24(4)42)22(2)37(50-26(6)44)38(51-27(7)45)36(21)39(30,8)9/h10-17,30-34,38,40H,18-20H2,1-9H3/b16-15+,29-17-,37-22+/t30-,31-,32-,33-,34-,38+/m0/s1",CC(=O)O/C1=C(\C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.309491596,FKDZVYSKSQDUKG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10590,5504,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10591,5504,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10592,5504,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10593,5504,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VOVBOUNKNIVZDV-HONIKNOTSA-N,"InChI=1S/C39H48O13/c1-21-31(48-24(4)41)18-30-34(50-26(6)43)17-29(20-47-23(3)40)33(52-35(45)16-15-28-13-11-10-12-14-28)19-32(49-25(5)42)22(2)38(51-27(7)44)37(46)36(21)39(30,8)9/h10-17,30-34,37,46H,18-20H2,1-9H3/b16-15+,29-17?,38-22-/t30-,31-,32-,33-,34-,37+/m0/s1",CC(=O)OCC1=C[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.309491596,VOVBOUNKNIVZDV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10594,5504,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QYFRCODLYCJJNA-UHFFFAOYSA-N,"InChI=1S/C39H48O13/c1-21-32(48-24(4)41)18-30-31(45)17-29(20-47-23(3)40)34(52-35(46)16-15-28-13-11-10-12-14-28)19-33(49-25(5)42)22(2)37(50-26(6)43)38(51-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3",CC(=O)OCC1=CC(O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,QYFRCODLYCJJNA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10595,5504,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1proton,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10596,5504,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1proton,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10597,5503,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SLJNSLIEGINNEE-UHFFFAOYSA-N,"InChI=1S/C37H44O11/c1-19-27(42)17-26-33(45-22(4)39)32-20(2)28(48-30(43)16-15-25-13-11-10-12-14-25)18-29(44-21(3)38)37(32,9)35(47-24(6)41)34(46-23(5)40)31(19)36(26,7)8/h10-16,26,28-29,32-35H,2,17-18H2,1,3-9H3",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(C(OC(C)=O)C12)C3(C)C,C37H44O11,pos_1_1proton1ethylamine,664.288362228,SLJNSLIEGINNEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10598,5500,-1,,,,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1sodium,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 10599,5500,-1,,,,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1sodium,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,0,6.0 10600,5498,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10601,5498,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10602,5498,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10603,5498,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,3,7.5 10604,5498,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MOYWWZOOLCCTFX-WXJTWOLQSA-N,"InChI=1S/C37H44O12/c1-19-26(48-29(43)16-15-24-13-11-10-12-14-24)18-28(44-20(2)38)35(8)30(19)31(45-21(3)39)25-17-27(42)36(9)37(49-36,34(25,6)7)33(47-23(5)41)32(35)46-22(4)40/h10-16,25-26,28,30-33H,1,17-18H2,2-9H3/b16-15+/t25-,26-,28-,30-,31+,32-,33-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C37H44O12,pos_1_1proton1ethylamine,680.2832768479998,MOYWWZOOLCCTFX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10605,5497,-1,,,,0.79270226,ISDB,BZXULYMZYPRZOG-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O,C18H16O8,,360.0845174719999,BZXULYMZYPRZOG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,0,9.170809030532837 10606,5495,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.35455057,ISDB,VWMVCDKDDCSCQH-UHFFFAOYSA-N,"InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)",C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3OC1OC(CO)C(O)C(O)C1O)C(C)C,C37H60O9,,648.4237335,VWMVCDKDDCSCQH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Dichomitus squalens,741212.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Dichomitus'],['Dichomitus squalens'],1,1,2.91820228099823 10607,5495,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.35455057,ISDB,VWMVCDKDDCSCQH-ZWNGJGPRSA-N,"InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)/t21-,22-,24-,25-,26+,27+,29-,30+,31-,33-,35-,36-,37+/m1/s1",C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C,C37H60O9,,648.4237335,VWMVCDKDDCSCQH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Laetiporus sulphureus,343979.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Fomitopsidaceae'],['Unknown'],['Laetiporus'],['Laetiporus sulphureus'],1,1,2.91820228099823 10608,5495,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.35455057,ISDB,VWMVCDKDDCSCQH-ZWNGJGPRSA-N,"InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)/t21-,22-,24-,25-,26+,27+,29-,30+,31-,33-,35-,36-,37+/m1/s1",C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C,C37H60O9,,648.4237335,VWMVCDKDDCSCQH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Laetiporus versisporus,741212.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Dichomitus'],['Dichomitus squalens'],1,1,2.91820228099823 10609,5493,-1,,,,0.71351177,ISDB,CUCNENMUNUSTEG-LYVLPCRDSA-N,"InChI=1S/C26H36O9/c1-11-15-8-16(30)20-25(7)18(34-13(3)28)9-17(33-12(2)27)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-21,23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18+,19-,20+,21-,23+,25+,26+/m1/s1",C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)[C@@H]3OC(C)=O,C26H36O9,,492.2359327319998,CUCNENMUNUSTEG,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon leucophyllus,541500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon leucophyllus'],3,0,5.854047060012817 10610,5492,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.5460175,ISDB,ZKGCXEGVGZLKCO-NJZAAPMLSA-N,"InChI=1S/C15H20O3/c1-9-6-12(18-8-9)7-11(3)13-5-4-10(2)14(16)15(13)17/h4,6,8,11,13,15,17H,5,7H2,1-3H3/t11-,13+,15+/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)[C@@H](O)C1=O,C15H20O3,,248.1412445,ZKGCXEGVGZLKCO,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,2,9.184070110321045 10611,5491,-1,,,,0.3374094,ISDB,KATZGWUZXSGURX-NYYWCZLTSA-N,"InChI=1S/C15H18O2/c1-11(8-14-9-12(2)10-17-14)4-5-15-13(3)6-7-16-15/h4,6-7,9-10H,5,8H2,1-3H3/b11-4+",C/C(=C\Cc1occc1C)Cc1cc(C)co1,C15H18O2,,230.130679816,KATZGWUZXSGURX,Terpenoids,,,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],5,0,6.3496376276016235 10612,5490,-1,,,,0.6767092,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix lyallii,693237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix lyallii'],6,0,8.706836700439453 10613,5490,-1,,,,0.6767092,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix occidentalis,994602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix occidentalis'],6,0,8.706836700439453 10614,5490,-1,,,,0.6767092,ISDB,LVIDDMJSLAVTSZ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3",Cc1ccc(C(C)C)c2c1CCC(C)C2,C15H22,,202.172150704,LVIDDMJSLAVTSZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Larix laricina,804263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix laricina'],6,0,8.706836700439453 10615,5489,564,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.7758373,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,10.103349208831787 10616,5489,564,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.7758373,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,2,10.103349208831787 10617,5488,346,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7625201,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,11.550080299377441 10618,5488,346,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7625201,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.550080299377441 10619,5486,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4372874,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.249149560928345 10620,5485,-1,,,,0.8068632,ISDB,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.227452754974365 10621,5483,2164,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.4880041,ISDB,UNQFHHAPQIDJED-NXNVCVFFSA-N,"InChI=1S/C18H30N2O3/c1-4-5-6-8-13(2)11-14-12-23-17(15-9-7-10-19-15)20-16(14)18(21)22-3/h7,9-10,13-14,16-17,19-20H,4-6,8,11-12H2,1-3H3/t13-,14-,16-,17+/m0/s1",CCCCC[C@H](C)C[C@H]1CO[C@H](c2ccc[nH]2)N[C@@H]1C(=O)OC,C18H30N2O3,,322.22564282,UNQFHHAPQIDJED,Alkaloids,,,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],4,1,6.452016353607178 10622,5482,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4011985,ISDB,NBCVECUGDUAJNM-UHFFFAOYSA-N,"InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-27-32-26-24-28-21-19-20-22-29(28)32/h19-22,24,26H,2-18,23,25,27H2,1H3,(H,31,33)",CCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2ccccc21,C30H50N2O,,454.39231422,NBCVECUGDUAJNM,Fatty acids,Fatty amides,N-acyl amines,Annona mucosa,1092024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona mucosa'],4,0,5.604794025421143 10623,5482,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4011985,ISDB,NBCVECUGDUAJNM-UHFFFAOYSA-N,"InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-27-32-26-24-28-21-19-20-22-29(28)32/h19-22,24,26H,2-18,23,25,27H2,1H3,(H,31,33)",CCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2ccccc21,C30H50N2O,,454.39231422,NBCVECUGDUAJNM,Fatty acids,Fatty amides,N-acyl amines,Annonaceae,98426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Unknown'],['Unknown'],4,0,5.604794025421143 10624,5481,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.41340733,ISDB,,,,,,,LGIKFBYSSJHCQR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6536293029785156 10625,5480,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10626,5480,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10627,5480,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10628,5480,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 10629,5479,-1,,,,0.7439954,ISDB,JCVVMRFAPQPJBD-UHFFFAOYSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3",CC(C)C1=CC2Oc3ccccc3CC2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longeracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],3,0,5.975981712341309 10630,5479,-1,,,,0.7439954,ISDB,JCVVMRFAPQPJBD-IRXDYDNUSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1",CC(C)C1=C[C@@H]2Oc3ccccc3C[C@]2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longiracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],3,0,5.975981712341309 10631,5478,452,Terpenoids,Steroids,Steroidal alkaloids,0.5113383,ISDB,VJTHGWPCJWOKLN-WIFRURKKSA-N,"InChI=1S/C32H52O5/c1-26(2)20-9-13-29(5)21(28(20,4)12-11-23(26)33)10-14-32-22-17-27(3,25(35-7)36-8)15-16-31(22,19-37-32)24(34)18-30(29,32)6/h20-23,25,33H,9-19H2,1-8H3/t20-,21+,22+,23-,27-,28-,29+,30-,31+,32-/m0/s1",COC(OC)[C@@]1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1,C32H52O5,,516.381474764,VJTHGWPCJWOKLN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Primula denticulata,333851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Primula'],['Primula denticulata'],4,1,6.545353174209595 10632,5477,-1,,,,0.7413811,ISDB,LDQSHVHRBJJNDT-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-2-5-8(4-1)9-6-3-7-10-9/h3-4,6-7H,1-2,5H2",C1=C(c2ccco2)CCC1,C9H10O,,134.07316494,LDQSHVHRBJJNDT,,,,Illicium verum,318186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium verum'],4,0,6.965524435043335 10633,5476,-1,,,,0.0,MS1_match,LADPNODMUXOPRG-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H",O=c1cc(-c2ccc(O)cc2)oc2c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)cc(O)c12,C30H18O10,pos_1_1proton,538.089996776,LADPNODMUXOPRG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 10634,5476,-1,,,,0.0,MS1_match,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton,538.089996776,YUSWMAULDXZHPY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 10635,5476,-1,,,,0.0,MS1_match,WTDHMFBJQJSTMH-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H",O=c1cc(-c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)oc2cc(O)cc(O)c12,C30H18O10,pos_1_1proton,538.0899967759999,WTDHMFBJQJSTMH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 10636,5475,512,Polyketides,Aromatic polyketides,Catechols with side chains,0.5353327,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,3,7.641330718994141 10637,5474,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QKUNRZIIZOSMMX-RKURLLSRSA-N,"InChI=1S/C30H42O12/c1-13-20(38-14(2)31)10-19-24(40-16(4)33)26-29(9,22(39-15(3)32)11-21(36)30(26)12-37-30)27(42-18(6)35)25(41-17(5)34)23(13)28(19,7)8/h19-22,24-27,36H,10-12H2,1-9H3/t19-,20+,21+,22+,24-,25-,26+,27+,29-,30-/m1/s1",CC(=O)O[C@@H]1[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H](OC(C)=O)C[C@H](O)[C@]4(CO4)[C@@H]13)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,QKUNRZIIZOSMMX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10638,5474,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,USDGRBIQBGVGOS-LBAPPZQKSA-N,"InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.2676267839998,USDGRBIQBGVGOS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10639,5474,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,USDGRBIQBGVGOS-LBAPPZQKSA-N,"InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.2676267839998,USDGRBIQBGVGOS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10640,5474,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZXWPQDIJLNDZCL-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-20(36)11-22(39-16(4)32)29(10)24(13)26(41-18(6)34)30(37)12-21(38-15(3)31)14(2)23(28(30,8)9)25(40-17(5)33)27(29)42-19(7)35/h20-22,24-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,ZXWPQDIJLNDZCL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10641,5474,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NJZSMGYGWKGBPU-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,NJZSMGYGWKGBPU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10642,5474,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NJZSMGYGWKGBPU-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,NJZSMGYGWKGBPU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10643,5473,-1,,,,0.5587541,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,9.235016345977783 10644,5472,-1,,,,0.0,MS1_match,UJARNTWLSVMUJF-HHNKTFFCSA-N,"InChI=1S/C37H49NO9/c1-20-28(42)18-26-33(44-22(3)39)32-21(2)29(47-30(43)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(32,8)35(46-24(5)41)34(45-23(4)40)31(20)36(26,6)7/h11-15,26-27,29,32-35H,2,16-19H2,1,3-10H3/t26-,27+,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO9,pos_1_1proton,651.340732148,UJARNTWLSVMUJF,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10645,5471,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5402554,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.661021709442139 10646,5471,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5402554,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.661021709442139 10647,5470,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.24153721,ISDB,CKXBHBNBEFREKT-LTHGSNFJSA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26-,27+,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,8.466148853302002 10648,5470,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.24153721,ISDB,CKXBHBNBEFREKT-KJFHCHQESA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26?,27?,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,8.466148853302002 10649,5468,-1,,,,0.40123296,ISDB,CQJRHJLQZVCBIG-GSISZECUSA-N,"InChI=1S/C26H36O8/c1-14-23(5)13-16-22(4,11-10-17(27)28)15(21(2,3)32)9-12-24(16,6)26(14,20(31)34-8)19(30)25(7,33)18(23)29/h9,16,32-33H,1,10-13H2,2-8H3,(H,27,28)/t16-,22+,23+,24-,25-,26-/m0/s1",C=C1[C@@]2(C)C[C@@H]3[C@](C)(CC=C(C(C)(C)O)[C@@]3(C)CCC(=O)O)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O,C26H36O8,,476.241018112,CQJRHJLQZVCBIG,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Eupenicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,2.6049318313598633 10650,5467,-1,,,,0.49378145,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,0,4.975125789642334 10651,5466,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.65524596,ISDB,DWHCRAGHDDLXEM-UHFFFAOYSA-N,"InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3",CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C23H35NO,,341.27186474,DWHCRAGHDDLXEM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Tetradium ruticarpum,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,7.120983839035034 10652,5466,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.65524596,ISDB,DWHCRAGHDDLXEM-UHFFFAOYSA-N,"InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3",CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C23H35NO,,341.27186474,DWHCRAGHDDLXEM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Euodia rutaecarpa,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,7.120983839035034 10653,5465,1006,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.29777625,ISDB,USNFPPCRYZXOPG-NZMLZKADSA-N,"InChI=1S/C21H28O5/c1-12-13-5-6-14-20(11-26-18(23)21(14,9-13)16(12)22)8-4-7-19(2)10-25-17(24-3)15(19)20/h13-15,17H,1,4-11H2,2-3H3/t13-,14+,15-,17-,19+,20-,21+/m1/s1",C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@@H](OC)[C@H]21)COC3=O,C21H28O5,,360.1936739959999,USNFPPCRYZXOPG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Isodon rubescens,285439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rubescens'],3,3,5.691105008125305 10654,5464,1033,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1proton1acetonitrile,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 10655,5464,1033,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,UFEHYRPBLFGEJW-RDWNTVFTSA-N,"InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O4,pos_1_1proton1acetonitrile,334.21440943999994,UFEHYRPBLFGEJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 10656,5464,1033,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,QSFLWQIGANLWJS-JGKKSEDXSA-N,"InChI=1S/C20H30O4/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)7-4-8-20(17,11-21)18(23)24/h9,12,14-15,17,21H,4-8,10-11H2,1-3H3,(H,23,24)/t14-,15-,17+,19+,20+/m0/s1",CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1,C20H30O4,pos_1_1proton1acetonitrile,334.21440944,QSFLWQIGANLWJS,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,7.5 10657,5464,1033,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1proton1acetonitrile,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 10658,5464,1033,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,BDGVLOCEQIJJDJ-AFKBCAQJSA-N,"InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23)/t15-,16-,18+,19-,20+/m1/s1",CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H30O4,pos_1_1proton1acetonitrile,334.21440943999994,BDGVLOCEQIJJDJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 10659,5463,2244,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6850301,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.24012041091919 10660,5461,-1,,,,0.62297356,ISDB,UPGREHAFOATQFI-GGURZLOHSA-N,"InChI=1S/C19H28O3/c1-11(2)19-9-6-13-12(16(19)22-19)10-14(20)15-17(13,3)7-5-8-18(15,4)21/h10-11,13,15-16,21H,5-9H2,1-4H3/t13-,15+,16-,17+,18-,19-/m0/s1",CC(C)[C@@]12CC[C@H]3C(=CC(=O)[C@@H]4[C@]3(C)CCC[C@]4(C)O)[C@@H]1O2,C19H28O3,,304.203844756,UPGREHAFOATQFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,7.491894245147705 10661,5460,361,Terpenoids,Diterpenoids,Abietane diterpenoids,0.23797658,ISDB,CCEWUJMXSVJXEO-MLGOLLRUSA-N,"InChI=1S/C19H26O2/c1-11(2)13-8-15-14(9-17(13)20)12-6-5-7-19(3,4)16(12)10-18(15)21/h8-9,11-12,16,20H,5-7,10H2,1-4H3/t12-,16-/m1/s1",CC(C)c1cc2c(cc1O)[C@H]1CCCC(C)(C)[C@@H]1CC2=O,C19H26O2,,286.193280072,CCEWUJMXSVJXEO,Terpenoids,Diterpenoids,Abietane diterpenoids,Fraxinus sieboldiana,358547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus sieboldiana'],3,3,5.451906323432922 10662,5459,897,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,DZUMWIOUSTYKKH-QHCPKHFHSA-N,"InChI=1S/C30H20O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-10,12-13,23,31-33,36-37H,11H2/t23-/m0/s1",O=C1C[C@@H](c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)Oc2cc(O)cc(O)c21,C30H20O10,pos_1_1proton,540.10564684,DZUMWIOUSTYKKH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,2,8.0 10663,5457,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.67697644,ISDB,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.207905769348145 10664,5455,-1,,,,0.53574973,ISDB,HBQIKOYABGHLIV-QMOCSEGSSA-N,"InChI=1S/C23H28O6/c1-19(2)13(24)7-8-20(3)12-6-9-21(4)11(18(27)28)10-14-23(21,29-14)22(12,5)17(26)15(25)16(19)20/h7-8,11-12,14,25H,6,9-10H2,1-5H3,(H,27,28)/t11-,12+,14+,20+,21-,22-,23+/m0/s1",CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C(=O)O)C[C@H]3O[C@]321,C23H28O6,,400.188588616,HBQIKOYABGHLIV,Terpenoids,Triterpenoids,Limonoids,Toona ciliata,448727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Toona'],['Toona ciliata'],3,0,5.142998933792114 10665,5454,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5413913,ISDB,RYBVPBNFSNLVFT-UUNSELIWSA-N,"InChI=1S/C30H50O5/c1-24(2)19-9-12-29(8)23(26(19,5)11-10-20(24)32)18(31)15-17-22-27(6,13-14-28(17,29)7)21(33)16-30(22,35)25(3,4)34/h17-19,21-23,31,33-35H,9-16H2,1-8H3/t17-,18-,19+,21-,22-,23-,26+,27+,28-,29-,30+/m1/s1",CC1(C)C(=O)CC[C@]2(C)[C@H]3[C@H](O)C[C@@H]4[C@@H]5[C@@](C)(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)[C@H](O)C[C@@]5(O)C(C)(C)O,C30H50O5,,490.3658246999999,RYBVPBNFSNLVFT,Terpenoids,Triterpenoids,Lupane triterpenoids,Salvia wagneriana,6083678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia wagneriana'],4,0,6.165565252304077 10666,5453,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6453533,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5814132690429688 10667,5452,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SFKQLDFGZQMCLQ-QBHBXPQWSA-N,"InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8,11,15,18,20,22-25,31H,9-10,12-14,16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,22-,23-,24+,25+,27+,28-/m0/s1",C/C=C(\C)C(=O)N[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@H]1O,C28H44N2O2,pos_2MCa,440.340278648,SFKQLDFGZQMCLQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,7.5 10668,5452,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VWQAUBJBEMSAFZ-WVVIAQNPSA-N,"InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21?,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@H]3C4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O,C28H44N2O2,pos_2MCa,440.340278648,VWQAUBJBEMSAFZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,7.5 10669,5452,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VWQAUBJBEMSAFZ-QJRNPGCNSA-N,"InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1=O,C28H44N2O2,pos_2MCa,440.340278648,VWQAUBJBEMSAFZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,3,7.5 10670,5452,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VWQAUBJBEMSAFZ-QJRNPGCNSA-N,"InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1=O,C28H44N2O2,pos_2MCa,440.340278648,VWQAUBJBEMSAFZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca ruscifolia,437379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca ruscifolia'],6,3,7.5 10671,5452,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VWQAUBJBEMSAFZ-QJRNPGCNSA-N,"InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1=O,C28H44N2O2,pos_2MCa,440.340278648,VWQAUBJBEMSAFZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,3,7.5 10672,5452,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FPBGDMGTAHIUMI-ULXDPTIJSA-N,"InChI=1S/C28H44N2O2/c1-17(2)16-25(31)29-24-13-15-28(5)22-12-14-27(4)20(18(3)30(6)7)10-11-21(27)19(22)8-9-23(28)26(24)32/h13,16,18-23H,8-12,14-15H2,1-7H3,(H,29,31)/t18-,19-,20+,21-,22-,23-,27+,28+/m0/s1",CC(C)=CC(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1=O,C28H44N2O2,pos_2MCa,440.340278648,FPBGDMGTAHIUMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,3,7.5 10673,5451,-1,,,,0.0,MS1_match,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,pos_2_2proton,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10674,5451,-1,,,,0.0,MS1_match,IKAVOWKFORLLFA-FVCHHMPOSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)23-15-17-30(4)25-14-13-24-29(2,3)26(34-28(37)22-11-9-8-10-12-22)16-18-32(24)20-33(25,32)27(36)19-31(23,30)5/h8-12,21,23-26H,13-20H2,1-7H3,(H,34,37)/t21-,23+,24-,25-,26-,30-,31+,32+,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O2,pos_2_2proton,504.371578776,IKAVOWKFORLLFA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10675,5451,-1,,,,0.0,MS1_match,WZFBYWXOERTQBK-ITPVSCTESA-N,"InChI=1S/C33H48N2O2/c1-21(34-30(37)22-11-9-8-10-12-22)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(35(6)7)31(25,2)3/h8-12,17,19,21,25-29,36H,13-16,18,20H2,1-7H3,(H,34,37)/t21-,25-,26+,27+,28-,29-,32+,33-/m0/s1",C[C@H](NC(=O)c1ccccc1)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C33H48N2O2,pos_2_2proton,504.371578776,WZFBYWXOERTQBK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10676,5451,-1,,,,0.0,MS1_match,BBFKBCLCNWMEAC-YWVLQBNOSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-12,17,19,21,25-29,36H,13-16,18,20H2,1-7H3,(H,34,37)/t21-,25+,26+,27+,28-,29-,32+,33-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C)N(C)C,C33H48N2O2,pos_2_2proton,504.371578776,BBFKBCLCNWMEAC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10677,5450,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPOWRRDYXUYBJR-UHFFFAOYSA-N,"InChI=1S/C41H55NO14/c1-20-28(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)18-30(52-23(4)44)40(10)32(20)36(54-25(6)46)41(50)19-29(51-22(3)43)21(2)31(39(41,8)9)35(53-24(5)45)37(40)55-26(7)47/h13-17,28-30,32-37,48,50H,1,18-19H2,2-12H3",C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C41H55NO14,pos_1_1proton,785.36225544,KPOWRRDYXUYBJR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10678,5448,-1,,,,0.0,MS1_match,YDGALDXSZGMRLF-LWFMFQAFSA-N,"InChI=1S/C20H34O4/c1-17(2,23)20(24)9-6-14-13(11-20)15(22)10-16-18(3,12-21)7-5-8-19(14,16)4/h11,14-16,21-24H,5-10,12H2,1-4H3/t14-,15+,16-,18-,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H34O4,pos_1_1sodium,338.245709568,YDGALDXSZGMRLF,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 10679,5446,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.26298246,ISDB,CKXBHBNBEFREKT-LTHGSNFJSA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26-,27+,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,8.551929831504822 10680,5446,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.26298246,ISDB,CKXBHBNBEFREKT-KJFHCHQESA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26?,27?,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,8.551929831504822 10681,5444,996,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.59681386,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],6,3,9.887255430221558 10682,5443,-1,,,,0.47424713,ISDB,KJENSRFCLYHWHZ-GFCZYIHWSA-N,"InChI=1S/C35H48N2O4/c1-22(37(6)7)30-27(41-23(2)38)20-34(5)26-13-14-28-32(3)21-40-35(28,19-25(26)15-17-33(30,34)4)18-16-29(32)36-31(39)24-11-9-8-10-12-24/h8-12,15-16,18,22,26-30H,13-14,17,19-21H2,1-7H3,(H,36,39)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O4,,560.361408016,KJENSRFCLYHWHZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,8.89698851108551 10683,5442,-1,,,,0.26638308,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,0,6.065532326698303 10684,5441,-1,,,,0.2760796,ISDB,SHXHAJNGQUTIEX-UHFFFAOYSA-N,"InChI=1S/C25H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(27)26-23-22-24-19-16-15-17-20-24/h1,3-4,15-17,19-20H,5-12,18,21-23H2,(H,26,27)",C#CC=CCCCCCCCCC#CCCC(=O)NCCc1ccccc1,C25H33NO,,363.256214676,SHXHAJNGQUTIEX,Fatty acids,Fatty amides,N-acyl amines,Aplysina fistularis,439207.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Verongiida'],['Aplysinidae'],['Unknown'],['Aplysina'],['Aplysina fistularis'],1,0,2.104318380355835 10685,5441,-1,,,,0.2760796,ISDB,SHXHAJNGQUTIEX-UHFFFAOYSA-N,"InChI=1S/C25H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(27)26-23-22-24-19-16-15-17-20-24/h1,3-4,15-17,19-20H,5-12,18,21-23H2,(H,26,27)",C#CC=CCCCCCCCCC#CCCC(=O)NCCc1ccccc1,C25H33NO,,363.256214676,SHXHAJNGQUTIEX,Fatty acids,Fatty amides,N-acyl amines,Callyspongia fistularis,2834409.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Callyspongia fistularis'],1,0,2.104318380355835 10686,5440,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PUFTXDSOJLKZCI-JHSINFGJSA-N,"InChI=1S/C32H48N2O4/c1-19(34(5)6)23-14-15-24-22-12-13-26-29(38-20(2)35)28(33-30(37)21-10-8-7-9-11-21)27(36)18-32(26,4)25(22)16-17-31(23,24)3/h7-11,19,22-29,36H,12-18H2,1-6H3,(H,33,37)/t19-,22-,23+,24-,25-,26-,27-,28-,29+,31+,32+/m0/s1",CC(=O)O[C@H]1[C@@H](NC(=O)c2ccccc2)[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C32H48N2O4,pos_1_1proton1isopropanol,524.361408016,PUFTXDSOJLKZCI,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,1,6.5 10687,5440,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PUFTXDSOJLKZCI-JHSINFGJSA-N,"InChI=1S/C32H48N2O4/c1-19(34(5)6)23-14-15-24-22-12-13-26-29(38-20(2)35)28(33-30(37)21-10-8-7-9-11-21)27(36)18-32(26,4)25(22)16-17-31(23,24)3/h7-11,19,22-29,36H,12-18H2,1-6H3,(H,33,37)/t19-,22-,23+,24-,25-,26-,27-,28-,29+,31+,32+/m0/s1",CC(=O)O[C@H]1[C@@H](NC(=O)c2ccccc2)[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C32H48N2O4,pos_1_1proton1isopropanol,524.361408016,PUFTXDSOJLKZCI,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,1,6.5 10688,5439,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.33540034,ISDB,JUBXTBKUGRSJTD-UHFFFAOYSA-N,"InChI=1S/C17H37AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17H2,1-3H3",CCCCCCCCCCCCCCC[As](C)(C)=O,C17H37AsO,,332.206037304,JUBXTBKUGRSJTD,Fatty acids,Fatty acyls,Hydrocarbons,Lotus halophilus,998594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus halophilus'],4,0,5.341601371765137 10689,5438,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.5041696,ISDB,IZCOVOGPZWOJIB-PQLHSWSHSA-N,"InChI=1S/C37H52N2O6/c1-21(39(8)9)31-28(44-23(3)41)19-35(6)29-16-15-26-25(18-37(29)30(45-37)20-36(31,35)7)17-27(43-22(2)40)32(34(26,4)5)38-33(42)24-13-11-10-12-14-24/h10-14,17,21,26-32H,15-16,18-20H2,1-9H3,(H,38,42)/t21-,26+,27+,28+,29-,30-,31-,32-,35-,36+,37+/m0/s1",CC(=O)O[C@@H]1C=C2C[C@]34O[C@H]3C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]3(C)[C@@H]4CC[C@H]2C(C)(C)[C@H]1NC(=O)c1ccccc1,C37H52N2O6,,620.382537384,IZCOVOGPZWOJIB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.51667833328247 10690,5436,-1,,,,0.37679037,ISDB,DKMGVACNAAKVRR-MRBSYODNSA-N,"InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+",CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,DKMGVACNAAKVRR,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.507161498069763 10691,5434,2186,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5872326,ISDB,XHMVYEBKUJRROR-MRXNPFEDSA-N,"InChI=1S/C19H24O2/c1-11(2)13-8-15-14(9-17(13)20)12-6-5-7-19(3,4)16(12)10-18(15)21/h6,8-9,11,16,20H,5,7,10H2,1-4H3/t16-/m1/s1",CC(C)c1cc2c(cc1O)C1=CCCC(C)(C)[C@@H]1CC2=O,C19H24O2,,284.177630008,XHMVYEBKUJRROR,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia recognita,866697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia recognita'],3,3,6.848930358886719 10692,5433,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3491903,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.896761178970337 10693,5431,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.34263498,ISDB,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.870539903640747 10694,5430,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.5960893,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,3,7.884357213973999 10695,5430,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.5960893,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,3,7.884357213973999 10696,5430,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.5960893,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema furfuracea,5700083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema furfuracea'],4,3,7.884357213973999 10697,5429,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7072175,ISDB,DAQJYUCPSHWKIR-RCOKLKMLSA-N,"InChI=1S/C25H35NO/c1-6-16-12-25-14-19(25)17-13-24(11-9-21(26-5)22(24,2)3)10-7-8-18(17)23(25,4)15-20(16)27/h7-8,10,13,16,19,21,26H,6,9,11-12,14-15H2,1-5H3/t16-,19+,21-,23-,24-,25+/m0/s1",CC[C@H]1C[C@@]23C[C@@H]2C2=C[C@]4(C=CC=C2[C@]3(C)CC1=O)CC[C@H](NC)C4(C)C,C25H35NO,,365.27186474,DAQJYUCPSHWKIR,Terpenoids,Diterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.828870058059692 10698,5428,-1,,,,0.5934353,ISDB,DWHTYLMRWXUGJL-DJIMGWMZSA-N,"InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)/t14-,16-,17-/m1/s1",C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H22O3,,274.156894564,DWHTYLMRWXUGJL,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,8.373741149902344 10699,5427,615,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7678675,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.571470022201538 10700,5426,-1,,,,0.39706814,ISDB,GOHMRMDXUXWCDQ-MPVZDDSSSA-N,"InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m0/s1",CC(=O)O[C@]12CCC(C)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O,C22H28O6,,388.188588616,GOHMRMDXUXWCDQ,Terpenoids,Diterpenoids,,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.588272571563721 10701,5426,-1,,,,0.39706814,ISDB,GOHMRMDXUXWCDQ-MPVZDDSSSA-N,"InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m0/s1",CC(=O)O[C@]12CCC(C)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O,C22H28O6,,388.188588616,GOHMRMDXUXWCDQ,Terpenoids,Diterpenoids,,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,0,6.588272571563721 10702,5425,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8624695,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,3,11.949877977371216 10703,5424,-1,,,,0.5544541,ISDB,QMSWKASVXHXIKB-JUNANHINSA-N,"InChI=1S/C20H28O5/c1-18(2,25)13-8-11-9-15(22)16-19(3,12(11)10-14(13)21)6-5-7-20(16,4)17(23)24/h8-9,12,15-16,22,25H,5-7,10H2,1-4H3,(H,23,24)/t12-,15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=C[C@H](O)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O5,,348.1936739959999,QMSWKASVXHXIKB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,8.217816352844238 10704,5423,1514,Terpenoids,Diterpenoids,Cinnamic acids and derivatives,0.34925303,ISDB,MQOMHFMKUJFDBH-OBZTUIKSSA-N,"InChI=1S/C20H26O5/c1-13-6-10-19-11-8-15(20(19,24)12-7-13)18(3,25-17(19)23)9-4-5-14(2)16(21)22/h4-6,9,15,24H,7-8,10-12H2,1-3H3,(H,21,22)/t15-,18+,19+,20-/m0/s1",CC1=CC[C@@]23CC[C@@H]([C@@](C)(C=CC=C(C)C(=O)O)OC2=O)[C@@]3(O)CC1,C20H26O5,,346.178023932,MQOMHFMKUJFDBH,Terpenoids,,,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,1,6.897012114524841 10705,5423,1514,Terpenoids,Diterpenoids,Cinnamic acids and derivatives,0.34925303,ISDB,MQOMHFMKUJFDBH-OBZTUIKSSA-N,"InChI=1S/C20H26O5/c1-13-6-10-19-11-8-15(20(19,24)12-7-13)18(3,25-17(19)23)9-4-5-14(2)16(21)22/h4-6,9,15,24H,7-8,10-12H2,1-3H3,(H,21,22)/t15-,18+,19+,20-/m0/s1",CC1=CC[C@@]23CC[C@@H]([C@@](C)(C=CC=C(C)C(=O)O)OC2=O)[C@@]3(O)CC1,C20H26O5,,346.178023932,MQOMHFMKUJFDBH,Terpenoids,,,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,1,6.897012114524841 10706,5422,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.6439938,ISDB,SGHXLRHVQDPMOF-LUKYLMHMSA-N,"InChI=1S/C19H30N2O3/c1-3-4-5-7-15-11-17(24-19(22)18-8-6-9-20-18)12-16-10-14(2)23-13-21(15)16/h6,8-9,14-17,20H,3-5,7,10-13H2,1-2H3/t14-,15-,16-,17+/m0/s1",CCCCC[C@H]1C[C@@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@H](C)OCN21,C19H30N2O3,,334.22564282,SGHXLRHVQDPMOF,Alkaloids,Lysine alkaloids,,Hyperaspis campestris,3355390.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Coccinellidae'],['Hyperaspidini'],['Hyperaspis'],['Hyperaspis campestris'],1,2,4.575975179672241 10707,5421,-1,,,,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1acetonitrile,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,0,6.0 10708,5421,-1,,,,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_1_1proton1acetonitrile,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 10709,5421,-1,,,,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1acetonitrile,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,0,6.0 10710,5421,-1,,,,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_1_1proton1acetonitrile,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 10711,5421,-1,,,,0.0,MS1_match,IGZIQAJJXGRAJF-TXZPEUJSSA-N,"InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1acetonitrile,348.157288488,IGZIQAJJXGRAJF,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 10712,5421,-1,,,,0.0,MS1_match,BKBYHSYZKIAJDA-WWSAFQOPSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1acetonitrile,348.1572884879999,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 10713,5421,-1,,,,0.0,MS1_match,BKBYHSYZKIAJDA-WWSAFQOPSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1acetonitrile,348.1572884879999,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 10714,5420,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.5038308,ISDB,NWFYESYCEQICQP-JKSUJKDBSA-N,"InChI=1S/C21H24O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-15(12-27-21(16)23)8-13-4-6-17(22)19(10-13)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O6,,372.1572884879999,NWFYESYCEQICQP,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Bupleurum salicifolium,36103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum salicifolium'],3,3,6.515323162078857 10715,5420,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.5038308,ISDB,NWFYESYCEQICQP-JKSUJKDBSA-N,"InChI=1S/C21H24O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-15(12-27-21(16)23)8-13-4-6-17(22)19(10-13)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O6,,372.1572884879999,NWFYESYCEQICQP,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],3,3,6.515323162078857 10716,5418,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.39493176,ISDB,,,,,,,LGIKFBYSSJHCQR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.579727053642273 10717,5417,1514,Terpenoids,Diterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,MKJJSXMKFUCBAM-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(12-2)7-10(8)11/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(OC)cc1O,C10H12O2,pos_2MH,164.083729624,MKJJSXMKFUCBAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,7.5 10718,5415,-1,,,,0.5455369,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.18214750289917 10719,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-GFCCVEGCSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m1/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,0,6.897805213928223 10720,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pilocarpus riedelianus,6125579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Pilocarpus'],['Pilocarpus riedelianus'],4,0,6.897805213928223 10721,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus,266228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Unknown'],4,0,6.897805213928223 10722,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lithraea molleoides,556811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Lithrea'],['Lithrea molleoides'],4,0,6.897805213928223 10723,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,0,6.897805213928223 10724,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Schinus molle,411495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Schinus'],['Schinus molle'],4,0,6.897805213928223 10725,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cleistopholis patens,3867599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cleistopholis'],['Cleistopholis patens'],4,0,6.897805213928223 10726,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Bupleurum acutifolium,884713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum acutifolium'],4,0,6.897805213928223 10727,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,0,6.897805213928223 10728,5414,-1,,,,0.7244513,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,0,6.897805213928223 10729,5413,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,7.5 10730,5413,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,7.5 10731,5413,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,3,7.5 10732,5413,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,7.5 10733,5413,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,7.5 10734,5413,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 10735,5413,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 10736,5413,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,YCLCHPWRGSDZKL-SLFFLAALSA-N,"InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C=O)CCC[C@]21C,C20H28O,pos_1_1proton,284.214015516,YCLCHPWRGSDZKL,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 10737,5412,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.61773294,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.970931768417358 10738,5410,-1,,,,0.24869758,ISDB,SLGRVNFOKARIBY-FMLLKXRZSA-N,"InChI=1S/C18H34N2O3/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-20(22)19-17(3)18(21)23-4/h13,15-17H,5-12,14H2,1-4H3/b15-13-,20-19?/t17-/m0/s1",COC(=O)[C@H](C)N=[N+]([O-])/C=C\CCCCCCCCCC(C)C,C18H34N2O3,,326.256942948,SLGRVNFOKARIBY,Alkaloids,Pseudoalkaloids,Azo and Azoxy alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,0.9947903156280518 10739,5409,2737,Terpenoids,Diterpenoids,Gibberellins,0.7741268,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,11.59650731086731 10740,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 10741,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 10742,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 10743,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 10744,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 10745,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 10746,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 10747,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 10748,5404,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 10749,5400,1611,Terpenoids,Diterpenoids,Abietane diterpenoids,0.66766423,ISDB,VWTJLHQGHXGHKG-AWEZNQCLSA-N,"InChI=1S/C17H16O4/c1-10-12(18)8-15-16(17(10)20-2)13(19)9-14(21-15)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1",COc1c(C)c(O)cc2c1C(=O)C[C@@H](c1ccccc1)O2,C17H16O4,,284.104858992,VWTJLHQGHXGHKG,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Comptonia peregrina,706092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Comptonia'],['Comptonia peregrina'],3,0,5.67065691947937 10750,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-NUWIJMFHSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13-,14-/m0/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cota palaestina,112205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cota'],['Cota palaestina'],3,3,7.854185581207275 10751,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ursinia abrotanifolia,7597280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia abrotanifolia'],3,3,7.854185581207275 10752,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Microliabum candidum,5739137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Liabeae'],['Microliabum'],['Microliabum candidum'],3,3,7.854185581207275 10753,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum polycephalum,377239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum polycephalum'],3,3,7.854185581207275 10754,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-NUWIJMFHSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13-,14-/m0/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum,1019571.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Unknown'],3,3,7.854185581207275 10755,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-NUWIJMFHSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13-,14-/m0/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetopsis mucronata,532232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetopsis'],['Tanacetopsis mucronata'],3,3,7.854185581207275 10756,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum santolina,555662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum santolina'],3,3,7.854185581207275 10757,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum ulutavicum,7596158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum ulutavicum'],3,3,7.854185581207275 10758,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-NUWIJMFHSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13-,14-/m0/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonospermum gomerae,593028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Gonospermum'],['Gonospermum gomerae'],3,3,7.854185581207275 10759,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Schistostephium crataegifolium,532248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Schistostephium'],['Schistostephium crataegifolium'],3,3,7.854185581207275 10760,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Schistostephium heptalobum,7596806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Schistostephium'],['Schistostephium heptalobum'],3,3,7.854185581207275 10761,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonospermum fruticosum,593030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Gonospermum'],['Gonospermum fruticosum'],3,3,7.854185581207275 10762,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum argenteum,322083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum argenteum'],3,3,7.854185581207275 10763,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum chiliophyllum,616324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum chiliophyllum'],3,3,7.854185581207275 10764,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum aureum,6055758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum aureum'],3,3,7.854185581207275 10765,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum densum,725991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum densum'],3,3,7.854185581207275 10766,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum cadmeum,3899212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum cadmeum'],3,3,7.854185581207275 10767,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonospermum elegans,322575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Gonospermum'],['Gonospermum canariense'],3,3,7.854185581207275 10768,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonospermum revolutum,371802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Lugoa'],['Lugoa revoluta'],3,3,7.854185581207275 10769,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum praeteritum,3899232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum praeteritum'],3,3,7.854185581207275 10770,5399,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.8385464,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum vulgare,602516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum vulgare'],3,3,7.854185581207275 10771,5398,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.27334303,ISDB,YKGRPAXRFUOTAY-LLVKDONJSA-N,"InChI=1S/C15H16O3/c1-9-6-14(18-8-9)15(17)11(3)12-5-4-10(2)13(16)7-12/h4-8,11,16H,1-3H3/t11-/m1/s1",Cc1coc(C(=O)[C@H](C)c2ccc(C)c(O)c2)c1,C15H16O3,,244.109944372,YKGRPAXRFUOTAY,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,8.093372106552124 10772,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],5,0,7.494137525558472 10773,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],5,0,7.494137525558472 10774,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus canariensis,97777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus canariensis'],5,0,7.494137525558472 10775,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],5,0,7.494137525558472 10776,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,7.494137525558472 10777,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus caribaea,4333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus caribaea'],5,0,7.494137525558472 10778,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],5,0,7.494137525558472 10779,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus lumholtzii,212480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lumholtzii'],5,0,7.494137525558472 10780,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus muricata,636909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus muricata'],5,0,7.494137525558472 10781,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus leiophylla,212477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus leiophylla'],5,0,7.494137525558472 10782,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],5,0,7.494137525558472 10783,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus coulteri,1075721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus coulteri'],5,0,7.494137525558472 10784,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus rigida,636907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus rigida'],5,0,7.494137525558472 10785,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus aristata,786782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus aristata'],5,0,7.494137525558472 10786,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],5,0,7.494137525558472 10787,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],5,0,7.494137525558472 10788,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,0,7.494137525558472 10789,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,0,7.494137525558472 10790,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],5,0,7.494137525558472 10791,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,0,7.494137525558472 10792,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus densata,227575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densata'],5,0,7.494137525558472 10793,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],5,0,7.494137525558472 10794,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus echinata,212461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus echinata'],5,0,7.494137525558472 10795,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montezumae,837875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus montezumae'],5,0,7.494137525558472 10796,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus balfouriana,1044480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus balfouriana'],5,0,7.494137525558472 10797,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,7.494137525558472 10798,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,0,7.494137525558472 10799,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],5,0,7.494137525558472 10800,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],5,0,7.494137525558472 10801,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus virginiana,263433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus virginiana'],5,0,7.494137525558472 10802,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus clausa,217118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus clausa'],5,0,7.494137525558472 10803,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinaceae,994067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Unknown'],['Unknown'],5,0,7.494137525558472 10804,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus krempfii,568623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus krempfii'],5,0,7.494137525558472 10805,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,0,7.494137525558472 10806,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pungens,636901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pungens'],5,0,7.494137525558472 10807,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montana,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,7.494137525558472 10808,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,7.494137525558472 10809,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],5,0,7.494137525558472 10810,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,7.494137525558472 10811,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus contorta var. latifolia,5233692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,7.494137525558472 10812,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],5,0,7.494137525558472 10813,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus attenuata,786792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus attenuata'],5,0,7.494137525558472 10814,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus glabra,104516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus glabra'],5,0,7.494137525558472 10815,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobiformis,262953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobiformis'],5,0,7.494137525558472 10816,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ayacahuite,786788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ayacahuite'],5,0,7.494137525558472 10817,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus occidentalis,635127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus occidentalis'],5,0,7.494137525558472 10818,5397,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6235344,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,0,7.494137525558472 10819,5396,-1,,,,0.529627,ISDB,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.118508100509644 10820,5393,191,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,0.6612501,ISDB,,,,,,,ZPQHNIHJSIZREW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.645000457763672 10821,5392,614,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.75151855,ISDB,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.50607419013977 10822,5391,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZXWPQDIJLNDZCL-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-20(36)11-22(39-16(4)32)29(10)24(13)26(41-18(6)34)30(37)12-21(38-15(3)31)14(2)23(28(30,8)9)25(40-17(5)33)27(29)42-19(7)35/h20-22,24-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1sodium,594.267626784,ZXWPQDIJLNDZCL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10823,5391,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NJZSMGYGWKGBPU-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1sodium,594.267626784,NJZSMGYGWKGBPU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10824,5391,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NJZSMGYGWKGBPU-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1sodium,594.267626784,NJZSMGYGWKGBPU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10825,5391,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,USDGRBIQBGVGOS-LBAPPZQKSA-N,"InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C30H42O12,pos_1_1sodium,594.2676267839998,USDGRBIQBGVGOS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10826,5391,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QKUNRZIIZOSMMX-RKURLLSRSA-N,"InChI=1S/C30H42O12/c1-13-20(38-14(2)31)10-19-24(40-16(4)33)26-29(9,22(39-15(3)32)11-21(36)30(26)12-37-30)27(42-18(6)35)25(41-17(5)34)23(13)28(19,7)8/h19-22,24-27,36H,10-12H2,1-9H3/t19-,20+,21+,22+,24-,25-,26+,27+,29-,30-/m1/s1",CC(=O)O[C@@H]1[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H](OC(C)=O)C[C@H](O)[C@]4(CO4)[C@@H]13)C2(C)C,C30H42O12,pos_1_1sodium,594.267626784,QKUNRZIIZOSMMX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10827,5391,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,USDGRBIQBGVGOS-LBAPPZQKSA-N,"InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C30H42O12,pos_1_1sodium,594.2676267839998,USDGRBIQBGVGOS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10828,5390,-1,,,,0.0,MS1_match,QKUNRZIIZOSMMX-RKURLLSRSA-N,"InChI=1S/C30H42O12/c1-13-20(38-14(2)31)10-19-24(40-16(4)33)26-29(9,22(39-15(3)32)11-21(36)30(26)12-37-30)27(42-18(6)35)25(41-17(5)34)23(13)28(19,7)8/h19-22,24-27,36H,10-12H2,1-9H3/t19-,20+,21+,22+,24-,25-,26+,27+,29-,30-/m1/s1",CC(=O)O[C@@H]1[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H](OC(C)=O)C[C@H](O)[C@]4(CO4)[C@@H]13)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,QKUNRZIIZOSMMX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10829,5390,-1,,,,0.0,MS1_match,NFUTVRWRWMCUTE-ANSMBRFYSA-N,"InChI=1S/C28H38O12/c1-12-18(33)10-20(37-13(2)29)26(7)21(12)22(38-14(3)30)17-9-19(34)27(8)28(35,25(17,6)11-36-27)24(40-16(5)32)23(26)39-15(4)31/h17-18,20-24,33,35H,1,9-11H2,2-8H3/t17-,18-,20-,21-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C28H38O12,pos_1_1proton1ethylamine,566.236326656,NFUTVRWRWMCUTE,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10830,5390,-1,,,,0.0,MS1_match,USDGRBIQBGVGOS-LBAPPZQKSA-N,"InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.2676267839998,USDGRBIQBGVGOS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10831,5390,-1,,,,0.0,MS1_match,USDGRBIQBGVGOS-LBAPPZQKSA-N,"InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.2676267839998,USDGRBIQBGVGOS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10832,5390,-1,,,,0.0,MS1_match,ZXWPQDIJLNDZCL-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-20(36)11-22(39-16(4)32)29(10)24(13)26(41-18(6)34)30(37)12-21(38-15(3)31)14(2)23(28(30,8)9)25(40-17(5)33)27(29)42-19(7)35/h20-22,24-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,ZXWPQDIJLNDZCL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10833,5390,-1,,,,0.0,MS1_match,NJZSMGYGWKGBPU-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,NJZSMGYGWKGBPU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10834,5390,-1,,,,0.0,MS1_match,NJZSMGYGWKGBPU-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,NJZSMGYGWKGBPU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10835,5389,-1,,,,0.61285615,ISDB,KZLPKGGMSDHTRS-YTEVENLXSA-N,"InChI=1S/C22H26O4/c1-12-11-26-19-15-7-8-16-14(6-5-9-21(16,3)4)18(15)22(25,10-13(2)23)20(24)17(12)19/h7-8,12,25H,5-6,9-11H2,1-4H3/t12-,22-/m0/s1",CC(=O)C[C@@]1(O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(c21)CCCC3(C)C,C22H26O4,,354.18310931199994,KZLPKGGMSDHTRS,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia miltiorrhiza,847543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia miltiorrhiza'],3,0,5.451424598693848 10836,5388,-1,,,,0.7931451,ISDB,DWXZSPSLFBWBDF-UZLBHIALSA-N,"InChI=1S/C20H22O2/c1-20-12-16(20)19-17(21-2)10-15(11-18(19)22-13-20)9-8-14-6-4-3-5-7-14/h3-7,10-11,16H,8-9,12-13H2,1-2H3/t16-,20+/m1/s1",COc1cc(CCc2ccccc2)cc2c1[C@H]1C[C@@]1(C)CO2,C20H22O2,,294.161979944,DWXZSPSLFBWBDF,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Radula javanica,683901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Radulaceae'],['Unknown'],['Radula'],['Radula javanica'],3,0,6.1725804805755615 10837,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.528438091278076 10838,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],6,3,9.528438091278076 10839,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],6,3,9.528438091278076 10840,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.528438091278076 10841,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,9.528438091278076 10842,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. eldarica,199110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.528438091278076 10843,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus brutia var. pityusa,975640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],6,3,9.528438091278076 10844,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,9.528438091278076 10845,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],6,3,9.528438091278076 10846,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.528438091278076 10847,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,9.528438091278076 10848,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,9.528438091278076 10849,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,9.528438091278076 10850,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.528438091278076 10851,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,9.528438091278076 10852,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,3,9.528438091278076 10853,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,3,9.528438091278076 10854,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,3,9.528438091278076 10855,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus masoni,7580651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus masoni'],6,3,9.528438091278076 10856,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,3,9.528438091278076 10857,5387,4,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5071095,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,9.528438091278076 10858,5386,-1,,,,0.61021143,ISDB,DYNISIGUMYFVJW-JOMPHRNESA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m1/s1",CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2C[C@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,8.440845727920532 10859,5386,-1,,,,0.61021143,ISDB,DYNISIGUMYFVJW-OCBLOMHFSA-N,"InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O3,,318.21949482,DYNISIGUMYFVJW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,8.440845727920532 10860,5385,1336,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.552634,ISDB,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.710536003112793 10861,5384,367,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.5889187,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,2,10.355674743652344 10862,5382,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.47479674,ISDB,XEYWZJNHBIZTAF-UHFFFAOYSA-N,"InChI=1S/C40H58O3/c1-9-34(3)19-21-36(5)27(25-34)14-17-39(8)30(36)11-12-32(42)40(39)18-15-28-33(43-40)29(41)23-31-37(6)22-20-35(4,10-2)24-26(37)13-16-38(28,31)7/h9-10,26-27,30-31H,1-2,11-25H2,3-8H3",C=CC1(C)CCC2(C)C(CCC3(C)C4=C(OC5(CC4)C(=O)CCC4C6(C)CCC(C)(C=C)CC6CCC45C)C(=O)CC32)C1,C40H58O3,,586.438595716,XEYWZJNHBIZTAF,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Ceriops tagal,163833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Ceriops'],['Ceriops tagal'],4,1,6.399186968803406 10863,5381,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RRXYKLNOTDQWHQ-NYZVHOIDSA-N,"InChI=1S/C38H46O13/c1-20-28(51-30(44)15-14-25-12-10-9-11-13-25)16-26(18-46-21(2)39)36(7)31(20)32(48-22(3)40)27-17-29(43)37(8)38(45,35(27,6)19-47-37)34(50-24(5)42)33(36)49-23(4)41/h9-15,26-28,31-34,45H,1,16-19H2,2-8H3/b15-14+/t26-,27+,28+,31+,32-,33+,34+,35+,36-,37-,38+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](COC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C38H46O13,pos_1_1proton1ethylamine,710.293841532,RRXYKLNOTDQWHQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10864,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10865,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10866,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10867,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10868,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10869,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZJHORUWDAUIHTD-UHFFFAOYSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)33(46-23(4)40)31-21(2)28(48-29(43)18-26(38(9)10)25-14-12-11-13-15-25)16-17-36(31,8)34(47-24(5)41)32(45-22(3)39)30(20)35(37,6)7/h11-15,26,28,31-34,44H,2,16-19H2,1,3-10H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,ZJHORUWDAUIHTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10870,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XQLJYGLHZIUECS-GLESJUERSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.2777975439999,XQLJYGLHZIUECS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10871,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CVSYBUKGIXQKJN-QFTQROJLSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)32(46-23(4)40)30-21(2)28(48-34(43)26(38(9)10)18-25-14-12-11-13-15-25)16-17-36(30,8)33(47-24(5)41)31(45-22(3)39)29(20)35(37,6)7/h11-15,26,28,30-33,44H,2,16-19H2,1,3-10H3/t26?,28-,30-,31+,32-,33-,36+,37+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,CVSYBUKGIXQKJN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10872,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10873,5380,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10874,5379,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5425847,ISDB,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.670338869094849 10875,5378,1120,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MBBVSKBTNJDURZ-NQLMQOPMSA-N,"InChI=1S/C17H28O5/c1-10(9-22-11(2)18)12-5-7-16(3,20)13-6-8-17(4,21)14(13)15(12)19/h12-15,19-21H,1,5-9H2,2-4H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(COC(C)=O)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@@](C)(O)[C@@H]2[C@H]1O,C17H28O5,pos_1_1proton1ethylamine,312.193673996,MBBVSKBTNJDURZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 10876,5377,-1,,,,0.0,MS1_match,MBBVSKBTNJDURZ-NQLMQOPMSA-N,"InChI=1S/C17H28O5/c1-10(9-22-11(2)18)12-5-7-16(3,20)13-6-8-17(4,21)14(13)15(12)19/h12-15,19-21H,1,5-9H2,2-4H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(COC(C)=O)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@@](C)(O)[C@@H]2[C@H]1O,C17H28O5,pos_1_1sodium,312.193673996,MBBVSKBTNJDURZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 10877,5376,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.73200697,ISDB,OVDMFKGCVWVONO-BSTGVKIKSA-N,"InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,12-14H,4,6-8H2,1-3H3/b10-5+,11-9+/t12-,13-,14+/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1,C15H22O2,,234.161979944,OVDMFKGCVWVONO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia kachirachirai,843602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kachirachirai'],7,3,11.428027868270874 10878,5375,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton1isopropanol,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,3,8.5 10879,5374,-1,,,,0.53760755,ISDB,CEMBNJZUXWTPEZ-ZUEPEPMWSA-N,"InChI=1S/C26H34O8/c1-15-11-20(29)22(32-17(3)28)25(14-31-16(2)27)21(33-23(30)18-9-7-6-8-10-18)12-19-13-26(15,25)34-24(19,4)5/h6-10,15,19-22,29H,11-14H2,1-5H3/t15-,19-,20+,21+,22+,25-,26+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](O)C[C@H](C)[C@]13C[C@H](C[C@H]2OC(=O)c1ccccc1)C(C)(C)O3,C26H34O8,,474.225368048,CEMBNJZUXWTPEZ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],3,0,5.150430202484131 10880,5373,-1,,,,0.7649948,ISDB,BDBDIRCWZPEVGI-IGYGKHONSA-N,"InChI=1S/C32H30N2O3/c1-17-14-22-20-11-7-9-13-24(20)34(28(22)25(15-17)36-5)29-26-27-21(19-10-6-8-12-23(19)33-27)16-18(2)30(26)37-32(3,4)31(29)35/h6-16,29,31,33,35H,1-5H3/t29-,31+/m0/s1",COc1cc(C)cc2c3ccccc3n([C@H]3c4c(c(C)cc5c4[nH]c4ccccc45)OC(C)(C)[C@@H]3O)c12,C32H30N2O3,,490.22564282,BDBDIRCWZPEVGI,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Murraya euchrestifolia,5233070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya euchrestifolia'],3,0,6.059979200363159 10881,5371,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10882,5371,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10883,5371,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 10884,5371,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 10885,5370,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.66815275,ISDB,YUVGUUFSLOQITK-HZJYTTRNSA-N,"InChI=1S/C24H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-20-24(26)22-18-15-16-19-23(22)25-21/h6-7,9-10,15-16,18-20H,2-5,8,11-14,17H2,1H3,(H,25,26)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCc1cc(=O)c2ccccc2[nH]1,C24H33NO,,351.25621467600007,YUVGUUFSLOQITK,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Tetradium ruticarpum,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,7.1726109981536865 10886,5368,346,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7670628,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,11.568251132965088 10887,5368,346,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7670628,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.568251132965088 10888,5367,-1,,,,0.69335115,ISDB,MEMJJLCEZJUTHW-ZMSDIMECSA-N,"InChI=1S/C17H24O2/c1-16(2)9-8-15(19)17(3)13-6-5-12(18)10-11(13)4-7-14(16)17/h5-6,10,14-15,18-19H,4,7-9H2,1-3H3/t14-,15+,17+/m0/s1",CC1(C)CC[C@@H](O)[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H24O2,,260.177630008,MEMJJLCEZJUTHW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],3,0,5.773404598236084 10889,5366,1678,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.40902075,ISDB,,,,,,,STQJSXJFRPGERY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6360830068588257 10890,5365,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.22327714,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],5,2,6.893108546733856 10891,5364,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.56897014,ISDB,,,,,,,UHXDSKADPILIPT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2758805751800537 10892,5363,2078,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DJDRIWQODSGIRC-OPSLWGRGSA-N,"InChI=1S/C29H48N2O/c1-19(30(6)7)23-14-16-29(5)25-11-10-24-21(17-22(25)13-15-28(23,29)4)9-12-26-27(24,3)18-32-20(2)31(26)8/h13,17,19-20,23-26H,9-12,14-16,18H2,1-8H3/t19-,20-,23+,24+,25+,26-,27-,28+,29-/m0/s1",C[C@@H]1OC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@]5(C)[C@@H]([C@H](C)N(C)C)CC[C@@]45C)C=C3CC[C@@H]2N1C,C29H48N2O,pos_1_1proton,440.376664156,DJDRIWQODSGIRC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10893,5362,1120,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7633978,ISDB,PSVQRRSHJWNFPZ-UODBANLJSA-N,"InChI=1S/C17H26O4/c1-9-6-16(20)14(17(4,5)21-11(3)18)7-13-10(2)15(19)8-12(9)13/h9,12,14,16,20H,6-8H2,1-5H3/t9-,12+,14-,16+/m0/s1",CC(=O)OC(C)(C)[C@H]1CC2=C(C)C(=O)C[C@@H]2[C@@H](C)C[C@H]1O,C17H26O4,,294.183109312,PSVQRRSHJWNFPZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],4,3,8.553591251373291 10894,5361,2078,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,pos_1_1proton1isopropanol,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 10895,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-DNMILWOZSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1",CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum taliense,290494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum taliense'],4,0,6.0592145919799805 10896,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-DNMILWOZSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1",CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Salvia nemorosa,1025149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia nemorosa'],4,0,6.0592145919799805 10897,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-DNMILWOZSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1",CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Salvia sylvestris,3882855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia x sylvestris'],4,0,6.0592145919799805 10898,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-DNMILWOZSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1",CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum dahuricum,696806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum dahuricum'],4,0,6.0592145919799805 10899,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-DNMILWOZSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1",CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum nigrum,290488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum nigrum'],4,0,6.0592145919799805 10900,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-UHFFFAOYSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3",CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum album,603938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum album'],4,0,6.0592145919799805 10901,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-UHFFFAOYSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3",CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum grandiflorum,1088325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum grandiflorum'],4,0,6.0592145919799805 10902,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-UHFFFAOYSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3",CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum viride,453154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum viride'],4,0,6.0592145919799805 10903,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-UHFFFAOYSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3",CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum lobelianum,1088322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum album'],4,0,6.0592145919799805 10904,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-UHFFFAOYSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3",CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum shanense,290492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum stenophyllum'],4,0,6.0592145919799805 10905,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-UHFFFAOYSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3",CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum stenophyllum,290492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum stenophyllum'],4,0,6.0592145919799805 10906,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-UHFFFAOYSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3",CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum fimbriatum,109938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum fimbriatum'],4,0,6.0592145919799805 10907,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-QDWDECSQSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19+,20-,21+,23+,24-,26+,27-/m0/s1",CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum stamineum,4485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum stamineum'],4,0,6.0592145919799805 10908,5360,-1,,,,0.51480365,ISDB,CLEXYFLHGFJONT-DNMILWOZSA-N,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1",CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,C27H39NO3,,425.292994108,CLEXYFLHGFJONT,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum californicum,603934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum californicum'],4,0,6.0592145919799805 10909,5359,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.6555081,ISDB,QMWRTLNJIANVKP-WIOPSUGQSA-N,"InChI=1S/C30H52N4O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-27(38)33-25(21-26(31)37)29(40)32-22(2)16-17-24(36)20-28(39)34-30(18-19-30)23(3)35/h22,25H,4-21H2,1-3H3,(H2,31,37)(H,32,40)(H,33,38)(H,34,39)/t22-,25+/m0/s1",CCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)CCC(=O)CC(=O)NC1(C(C)=O)CC1,C30H52N4O6,,564.388685384,QMWRTLNJIANVKP,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Escherichia coli,474506.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Enterobacteriaceae'],['Unknown'],['Unknown'],['Escherichia coli'],0,0,2.622032403945923 10910,5358,-1,,,,0.0,MS1_match,IDZBMHPXAGXGNB-JUCYZOQGSA-N,"InChI=1S/C42H48O13/c1-23-29(53-32(46)19-18-27-14-10-8-11-15-27)21-41(39(5,6)49)33(23)34(47)36(54-38(48)28-16-12-9-13-17-28)40(7)30(51-24(2)43)20-31-42(22-50-31,55-26(4)45)35(40)37(41)52-25(3)44/h8-19,29-31,34-37,47,49H,20-22H2,1-7H3/b19-18+/t29-,30-,31+,34+,35-,36-,37-,40+,41-,42-/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](OC(=O)/C=C/c4ccccc4)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]12C,C42H48O13,pos_1_1proton1ethylamine,760.3094915959999,IDZBMHPXAGXGNB,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10911,5358,-1,,,,0.0,MS1_match,OUZGCGZMZBOCBH-MNLIZOKASA-N,"InChI=1S/C44H55NO13/c1-7-8-11-20-31(48)45-33(26-16-12-9-13-17-26)35(50)40(53)56-28-22-44(54)38(57-39(52)27-18-14-10-15-19-27)36-42(6,37(51)34(49)32(24(28)2)41(44,4)5)29(47)21-30-43(36,23-55-30)58-25(3)46/h9-10,12-19,28-30,33-36,38,47,49-50,54H,7-8,11,20-23H2,1-6H3,(H,45,48)/t28-,29-,30+,33-,34+,35+,36-,38-,42+,43-,44+/m0/s1",CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C,C44H55NO13,pos_1_1proton,805.36734082,OUZGCGZMZBOCBH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 10912,5356,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RIVHKUMNQRHVLQ-UHFFFAOYSA-N,"InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.3036183679998,RIVHKUMNQRHVLQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10913,5356,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RIVHKUMNQRHVLQ-UHFFFAOYSA-N,"InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.3036183679998,RIVHKUMNQRHVLQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10914,5356,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,PAIIMRPDBSFIET-JZULUBIOSA-N,"InChI=1S/C35H44O8/c1-19-26(28(39)15-14-24-12-10-9-11-13-24)18-30(40)35(8)27(19)16-25-17-29(41-21(3)36)20(2)31(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29-30,32-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26+,27-,29+,30+,32-,33+,35+/m1/s1",C=C1[C@@H](C(=O)/C=C/c2ccccc2)C[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.303618368,PAIIMRPDBSFIET,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10915,5356,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HYRLNINDGRHYHB-IFHKUCNCSA-N,"InChI=1S/C35H47NO8/c1-19-26(39)17-24-30(42-21(3)37)35-20(2)27(44-28(40)18-25(36(8)9)23-13-11-10-12-14-23)15-16-33(35,7)29(41)31(43-22(4)38)34(19,35)32(24,5)6/h10-14,19,24-25,27,29-31,41H,2,15-18H2,1,3-9H3/t19-,24+,25-,27+,29+,30-,31+,33+,34-,35-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H47NO8,pos_1_1proton,609.330167464,HYRLNINDGRHYHB,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10916,5355,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.44002086,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.260083436965942 10917,5354,571,Terpenoids,Apocarotenoids,Germacrane sesquiterpenoids,0.4077478,ISDB,VSTUOYUGFWGERJ-GJKADDMISA-N,"InChI=1S/C19H28O6/c1-11(2)18-15(23-13(4)21)8-12(3)6-7-17-19(10-20,25-17)9-16(18)24-14(5)22/h8,10-11,15-18H,6-7,9H2,1-5H3/b12-8-/t15-,16-,17-,18-,19-/m1/s1",CC(=O)O[C@@H]1/C=C(/C)CC[C@H]2O[C@@]2(C=O)C[C@@H](OC(C)=O)[C@@H]1C(C)C,C19H28O6,,352.188588616,VSTUOYUGFWGERJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Pulicaria canariensis,253253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria canariensis'],4,3,7.130991220474243 10918,5353,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YGGLFLYOEHJHSC-SHGMFYAISA-N,"InChI=1S/C32H51NO5/c1-18(2)19(3)16-27(36)38-29-28-24(11-10-22-17-23(33(8)9)14-15-31(22,28)6)26-13-12-25(20(4)34)32(26,7)30(29)37-21(5)35/h22-26,28-30H,10-17H2,1-9H3/t22-,23+,24+,25-,26+,28-,29+,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)=C(C)C)[C@H]2[C@@H](CC[C@@H]3C[C@@H](N(C)C)CC[C@@]32C)[C@@H]2CC[C@H](C(C)=O)[C@@]12C,C32H51NO5,pos_1_1proton1acetonitrile,529.376723732,YGGLFLYOEHJHSC,Terpenoids,Steroids,,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,1,6.5 10919,5353,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CEFWIVSCALJZMU-XBZOXOFBSA-N,"InChI=1S/C33H50N2O4/c1-20(34(5)6)29-28(37)19-26-23-13-14-25-30(39-21(2)36)27(35(7)31(38)22-11-9-8-10-12-22)16-18-32(25,3)24(23)15-17-33(26,29)4/h8-12,20,23-30,37H,13-19H2,1-7H3/t20-,23+,24-,25-,26-,27+,28-,29-,30+,32+,33-/m0/s1",CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]4[C@@H]3CC[C@@H]12,C33H50N2O4,pos_1_1proton1methanol,538.37705808,CEFWIVSCALJZMU,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,1,6.5 10920,5353,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZXYJHHCDYJHFRI-ZMFXGSFOSA-N,"InChI=1S/C33H50N2O4/c1-20(34(5)6)24-15-16-25-23-13-14-26-30(39-21(2)36)28(35(7)31(38)22-11-9-8-10-12-22)17-18-32(26,3)27(23)19-29(37)33(24,25)4/h8-12,20,23-30,37H,13-19H2,1-7H3/t20-,23-,24+,25-,26-,27-,28+,29+,30+,32-,33+/m0/s1",CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C33H50N2O4,pos_1_1proton1methanol,538.37705808,ZXYJHHCDYJHFRI,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,1,6.5 10921,5351,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7695172,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,3,7.578068733215332 10922,5351,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7695172,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,3,7.578068733215332 10923,5351,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7695172,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,3,7.578068733215332 10924,5351,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7695172,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,3,7.578068733215332 10925,5351,478,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7695172,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,3,7.578068733215332 10926,5350,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.50512093,ISDB,IZCOVOGPZWOJIB-PQLHSWSHSA-N,"InChI=1S/C37H52N2O6/c1-21(39(8)9)31-28(44-23(3)41)19-35(6)29-16-15-26-25(18-37(29)30(45-37)20-36(31,35)7)17-27(43-22(2)40)32(34(26,4)5)38-33(42)24-13-11-10-12-14-24/h10-14,17,21,26-32H,15-16,18-20H2,1-9H3,(H,38,42)/t21-,26+,27+,28+,29-,30-,31-,32-,35-,36+,37+/m0/s1",CC(=O)O[C@@H]1C=C2C[C@]34O[C@H]3C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]3(C)[C@@H]4CC[C@H]2C(C)(C)[C@H]1NC(=O)c1ccccc1,C37H52N2O6,,620.382537384,IZCOVOGPZWOJIB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.52048373222351 10927,5349,-1,,,,0.63510877,ISDB,KPOWRRDYXUYBJR-UHFFFAOYSA-N,"InChI=1S/C41H55NO14/c1-20-28(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)18-30(52-23(4)44)40(10)32(20)36(54-25(6)46)41(50)19-29(51-22(3)43)21(2)31(39(41,8)9)35(53-24(5)45)37(40)55-26(7)47/h13-17,28-30,32-37,48,50H,1,18-19H2,2-12H3",C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C41H55NO14,,785.36225544,KPOWRRDYXUYBJR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,9.540435075759888 10928,5348,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MBZYQIZHDWRHKZ-CIGOLHFESA-N,"InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(37(7,8)46)20-30(47-23(3)41)22(2)32(39)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28-,29+,30+,33+,34-,35+,36+,38-,39+/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C39H53NO11,pos_1_1proton,711.361861516,MBZYQIZHDWRHKZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10929,5346,-1,,,,0.8362501,ISDB,VGPPZJJHLBHJHM-UHFFFAOYSA-N,"InChI=1S/C19H26O3/c1-10(2)15-13(20)8-14-16-11-9-19(5,21-14)7-6-12(11)18(3,4)22-17(15)16/h8,10-12,20H,6-7,9H2,1-5H3",CC(C)c1c(O)cc2c3c1OC(C)(C)C1CCC(C)(CC31)O2,C19H26O3,,302.188194692,VGPPZJJHLBHJHM,Polyketides,,,Hypericum roeperianum,905362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum roeperianum'],3,0,6.345000505447388 10930,5344,571,Terpenoids,Apocarotenoids,Germacrane sesquiterpenoids,0.0,MS1_match,UJRMJTIXXKZFGB-VOMFWCAFSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12-,14-,15-,16-,17-,18+/m1/s1",CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Magnolia chevalieri,3867229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia chevalieri'],7,2,8.0 10931,5344,571,Terpenoids,Apocarotenoids,Germacrane sesquiterpenoids,0.0,MS1_match,UJRMJTIXXKZFGB-VOMFWCAFSA-N,"InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12-,14-,15-,16-,17-,18+/m1/s1",CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1,C19H34O7,pos_1_1proton1acetonitrile,374.230453428,UJRMJTIXXKZFGB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Magnolia chevalieri,3867229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia chevalieri'],7,2,8.0 10932,5342,1120,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.72532254,ISDB,WBCUBYSFPZJBSU-PHJVOLQISA-N,"InChI=1S/C17H24O4/c1-5-19-17-9-16-13(20-16)7-6-10(2)15(16,4)8-12(17)11(3)14(18)21-17/h10,13H,5-9H2,1-4H3/t10-,13+,15+,16+,17+/m0/s1",CCO[C@@]12C[C@@]34O[C@@H]3CC[C@H](C)[C@@]4(C)CC1=C(C)C(=O)O2,C17H24O4,,292.167459248,WBCUBYSFPZJBSU,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio gallicus,962474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio gallicus'],4,2,7.90129017829895 10933,5341,-1,,,,0.8094845,ISDB,UEAPOVJEVUNJHK-PWSUYJOCSA-N,"InChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4,6,8,10,12H,5,7H2,1-3H3/t10-,12+/m1/s1",CC1=CC[C@@H]2C(=C1)c1c(C)coc1C[C@H]2C,C15H18O,,214.135765196,UEAPOVJEVUNJHK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,0,7.237937927246094 10934,5340,1008,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.32420108,ISDB,CWAOGZPLZOJEGU-QAGYORLGSA-N,"InChI=1S/C15H16/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-4,6,9,11,13,15H,1,5,7H2,2H3/b6-4+,11-9+,15-13+",C=CCC/C=C/C=C/C#CC#C/C=C/C,C15H16,,196.125200512,CWAOGZPLZOJEGU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Cotula bipinnata,5920595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cotula'],['Cotula bipinnata'],4,3,6.796804308891296 10935,5338,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10936,5338,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10937,5338,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10938,5338,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,3,7.5 10939,5338,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MOYWWZOOLCCTFX-WXJTWOLQSA-N,"InChI=1S/C37H44O12/c1-19-26(48-29(43)16-15-24-13-11-10-12-14-24)18-28(44-20(2)38)35(8)30(19)31(45-21(3)39)25-17-27(42)36(9)37(49-36,34(25,6)7)33(47-23(5)41)32(35)46-22(4)40/h10-16,25-26,28,30-33H,1,17-18H2,2-9H3/b16-15+/t25-,26-,28-,30-,31+,32-,33-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C37H44O12,pos_1_1proton1ethylamine,680.2832768479998,MOYWWZOOLCCTFX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10940,5336,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.50974923,ISDB,,,,,,,SUNHQUXJOLNCSX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.038996934890747 10941,5335,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6085003,ISDB,DTNMLCLEKOLKGE-KDGODWLXSA-N,"InChI=1S/C33H58OSi/c1-28(2)18-19-30(5)20-21-32(7)23(24(30)22-28)12-13-26-31(6)16-15-27(34-35(9,10)11)29(3,4)25(31)14-17-33(26,32)8/h12,24-27H,13-22H2,1-11H3/t24-,25-,26+,27+,30+,31-,32+,33+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C33H58OSi,,498.425693006,DTNMLCLEKOLKGE,Terpenoids,Triterpenoids,Oleanane triterpenoids,Chenopodium quinoa,117198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Atripliceae'],['Chenopodium'],['Chenopodium quinoa'],4,0,6.434001207351685 10942,5334,2469,Alkaloids,Steroids,Steroidal alkaloids,0.0,MS1_match,UVZXIKHRPFCSKF-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(25-15-27)20-8-9-21-19-7-6-17-14-18(26(4)5)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@H](NC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C,C24H42N2O,pos_2MCa,374.329713964,UVZXIKHRPFCSKF,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 10943,5334,2469,Alkaloids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,pos_2MCa,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 10944,5334,2469,Alkaloids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,pos_2MCa,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,2,7.0 10945,5333,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1methanol,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 10946,5332,319,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5569593,ISDB,WQJGXMIIUOPURY-OROJKWBISA-N,"InChI=1S/C27H44N2O/c1-18(29(5)6)21-12-14-27(4)23-9-8-22-19(15-20(23)11-13-26(21,27)3)7-10-24-25(22,2)16-30-17-28-24/h11,15,18,21-24,28H,7-10,12-14,16-17H2,1-6H3/t18-,21+,22+,23+,24-,25-,26+,27-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@]14C)N(C)C,C27H44N2O,,412.345364028,WQJGXMIIUOPURY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.727837085723877 10947,5331,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FKDZVYSKSQDUKG-LAPIOUSSSA-N,"InChI=1S/C39H48O13/c1-21-31(47-23(3)41)18-30-34(49-25(5)43)17-29(20-40)33(52-35(46)16-15-28-13-11-10-12-14-28)19-32(48-24(4)42)22(2)37(50-26(6)44)38(51-27(7)45)36(21)39(30,8)9/h10-17,30-34,38,40H,18-20H2,1-9H3/b16-15+,29-17-,37-22+/t30-,31-,32-,33-,34-,38+/m0/s1",CC(=O)O/C1=C(\C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.309491596,FKDZVYSKSQDUKG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10948,5331,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 10949,5331,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10950,5331,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10951,5331,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VOVBOUNKNIVZDV-HONIKNOTSA-N,"InChI=1S/C39H48O13/c1-21-31(48-24(4)41)18-30-34(50-26(6)43)17-29(20-47-23(3)40)33(52-35(45)16-15-28-13-11-10-12-14-28)19-32(49-25(5)42)22(2)38(51-27(7)44)37(46)36(21)39(30,8)9/h10-17,30-34,37,46H,18-20H2,1-9H3/b16-15+,29-17?,38-22-/t30-,31-,32-,33-,34-,37+/m0/s1",CC(=O)OCC1=C[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.309491596,VOVBOUNKNIVZDV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10952,5331,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QYFRCODLYCJJNA-UHFFFAOYSA-N,"InChI=1S/C39H48O13/c1-21-32(48-24(4)41)18-30-31(45)17-29(20-47-23(3)40)34(52-35(46)16-15-28-13-11-10-12-14-28)19-33(49-25(5)42)22(2)37(50-26(6)43)38(51-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3",CC(=O)OCC1=CC(O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,QYFRCODLYCJJNA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10953,5331,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1proton,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 10954,5331,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1proton,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 10955,5329,1268,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.34766707,ISDB,WRFFVEBPEFMIOA-XAKKHSPKSA-N,"InChI=1S/C26H36O8/c1-13-6-7-17-24(3,4)18(28)8-9-25(17,5)16(13)11-26-19(29)10-15(21(31)22(26)34-26)12-33-23(32)20(30)14(2)27/h10,14,16-17,20-22,27,30-31H,1,6-9,11-12H2,2-5H3/t14-,16-,17-,20+,21+,22-,25+,26+/m0/s1",C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(COC(=O)[C@H](O)[C@H](C)O)=CC2=O,C26H36O8,,476.241018112,WRFFVEBPEFMIOA,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Trichoderma,891848.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Acanthomorphata'],['Monacanthidae'],['Unknown'],['Amanses'],['Unknown'],1,0,2.390668272972107 10956,5328,-1,,,,0.46878248,ISDB,,,,,,,NFXLDDNLHYSYSP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8751299381256104 10957,5326,3384,Fatty acids,Fatty amides,N-acyl amines,0.5049772,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.519908905029297 10958,5325,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4890039,ISDB,ILQLITDRYFHAGM-NSISKUIASA-N,"InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,ILQLITDRYFHAGM,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,2,9.956015586853027 10959,5324,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10960,5324,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10961,5324,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 10962,5323,996,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.6327804,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],6,3,10.031121492385864 10963,5321,-1,,,,0.0,MS1_match,PGSXQGHJRODCQQ-GQAUQGLESA-N,"InChI=1S/C25H34O10/c1-31-21-11-15(4-3-9-26)5-7-19(21)34-17(13-27)10-16-6-8-20(22(12-16)32-2)35-25-24(30)23(29)18(28)14-33-25/h5-8,11-12,17-18,23-30H,3-4,9-10,13-14H2,1-2H3/t17-,18-,23+,24-,25+/m1/s1",COc1cc(CCCO)ccc1O[C@@H](CO)Cc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C25H34O10,pos_2_2proton2acetonitrile,494.2151972879998,PGSXQGHJRODCQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 10964,5320,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.4642773,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.357109189033508 10965,5319,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7670751,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],3,3,7.568300485610962 10966,5319,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7670751,ISDB,ZAUXXSQCVPKKPE-HNNXBMFYSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m0/s1",CC1=C2C(=O)c3c(C)coc3C[C@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],3,3,7.568300485610962 10967,5318,249,Terpenoids,Steroids,Cardenolides,0.4403698,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.2614792585372925 10968,5317,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6201069,ISDB,DAQJYUCPSHWKIR-RCOKLKMLSA-N,"InChI=1S/C25H35NO/c1-6-16-12-25-14-19(25)17-13-24(11-9-21(26-5)22(24,2)3)10-7-8-18(17)23(25,4)15-20(16)27/h7-8,10,13,16,19,21,26H,6,9,11-12,14-15H2,1-5H3/t16-,19+,21-,23-,24-,25+/m0/s1",CC[C@H]1C[C@@]23C[C@@H]2C2=C[C@]4(C=CC=C2[C@]3(C)CC1=O)CC[C@H](NC)C4(C)C,C25H35NO,,365.27186474,DAQJYUCPSHWKIR,Terpenoids,Diterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.480427503585815 10969,5316,-1,,,,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_1_1proton1methanol,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10970,5316,-1,,,,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 10971,5315,2260,Alkaloids,Lysine alkaloids,Catechols with side chains,0.6217317,ISDB,SGHXLRHVQDPMOF-LUKYLMHMSA-N,"InChI=1S/C19H30N2O3/c1-3-4-5-7-15-11-17(24-19(22)18-8-6-9-20-18)12-16-10-14(2)23-13-21(15)16/h6,8-9,14-17,20H,3-5,7,10-13H2,1-2H3/t14-,15-,16-,17+/m0/s1",CCCCC[C@H]1C[C@@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@H](C)OCN21,C19H30N2O3,,334.22564282,SGHXLRHVQDPMOF,Alkaloids,Lysine alkaloids,,Hyperaspis campestris,3355390.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Coccinellidae'],['Hyperaspidini'],['Hyperaspis'],['Hyperaspis campestris'],1,2,4.486926794052124 10972,5314,-1,,,,0.6718664,ISDB,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.68746566772461 10973,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum brachyanthum,6086123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum brachyanthum'],3,2,6.70634126663208 10974,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-HNYRCEHSSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@@](C)([C@H]3C[C@@H]4C=CO[C@@H]4O3)[C@@H]1CCC[C@@]21CO1,C24H34O7,,434.230453428,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Tripora divaricata,503293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Tripora'],['Tripora divaricata'],3,2,6.70634126663208 10975,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga bracteosa,5793030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga bracteosa'],3,2,6.70634126663208 10976,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria violacea,5793117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria violacea'],3,2,6.70634126663208 10977,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum,274806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Unknown'],3,2,6.70634126663208 10978,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga integrifolia,6086036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga integrifolia'],3,2,6.70634126663208 10979,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum infortunatum,460156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum infortunatum'],3,2,6.70634126663208 10980,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria albida,5793091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria albida'],3,2,6.70634126663208 10981,5313,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.6765853,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria discolor,5793077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria discolor'],3,2,6.70634126663208 10982,5312,-1,,,,0.42985016,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,7.719400644302368 10983,5312,-1,,,,0.42985016,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,7.719400644302368 10984,5312,-1,,,,0.42985016,ISDB,NFWKVWVWBFBAOV-LYBXBRPPSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1",CC(C)c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)C(=O)O,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,7.719400644302368 10985,5312,-1,,,,0.42985016,ISDB,NFWKVWVWBFBAOV-UHFFFAOYSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,7.719400644302368 10986,5312,-1,,,,0.42985016,ISDB,NFWKVWVWBFBAOV-MISYRCLQSA-N,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O2,,300.208930136,NFWKVWVWBFBAOV,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,7.719400644302368 10987,5311,1428,Terpenoids,Diterpenoids,Labdane diterpenoids,0.38709605,ISDB,HFOYBPKZZDOLDW-NEUQYWNHSA-N,"InChI=1S/C24H36O7/c1-5-6-11-30-20-22-14-8-7-13-12(2)17(26)23(14,18(13)27)24(29,31-20)19(28)16(22)21(3,4)10-9-15(22)25/h13-16,18-20,25,27-29H,2,5-11H2,1,3-4H3/t13-,14-,15-,16+,18+,19-,20-,22-,23-,24-/m0/s1",C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12[C@@H](OCCCC)O[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O,C24H36O7,,436.246103492,HFOYBPKZZDOLDW,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon rosthornii,1017559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rosthornii'],3,2,5.548384189605713 10988,5310,-1,,,,0.41538402,ISDB,RFOCIKIRPCYOTG-QYYSKZFYSA-N,"InChI=1S/C24H32O6/c1-11(2)24-12(25)10-22(5,28)17(24)13-14(19(24)26)23-9-7-8-21(3,4)18(23)16(15(13)29-6)30-20(23)27/h11,15-18,28H,7-10H2,1-6H3/t15-,16+,17-,18-,22-,23-,24+/m0/s1",CO[C@H]1C2=C(C(=O)[C@]3(C(C)C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O,C24H32O6,,416.219888744,RFOCIKIRPCYOTG,Terpenoids,Diterpenoids,Abietane diterpenoids,Salvia apiana,466625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia apiana'],3,0,4.66153609752655 10989,5309,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.55540466,ISDB,ADZYDUJXHKLXCN-IQFAIPDSSA-N,"InChI=1S/C26H32O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-17,19-20,27H,6,10,12H2,1-5H3/t15-,16+,17-,19-,20-,23-,24+,25+,26-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]3(C)[C@H](O)C[C@@H]12,C26H32O7,,456.214803364,ADZYDUJXHKLXCN,Terpenoids,Triterpenoids,Limonoids,Toona sinensis,358929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Toona'],['Toona sinensis'],3,1,5.72161865234375 10990,5309,269,Terpenoids,Diterpenoids,Labdane diterpenoids,0.55540466,ISDB,ADZYDUJXHKLXCN-IQFAIPDSSA-N,"InChI=1S/C26H32O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-17,19-20,27H,6,10,12H2,1-5H3/t15-,16+,17-,19-,20-,23-,24+,25+,26-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]3(C)[C@H](O)C[C@@H]12,C26H32O7,,456.214803364,ADZYDUJXHKLXCN,Terpenoids,Triterpenoids,Limonoids,Casimiroa edulis,1066822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Casimiroa'],['Casimiroa edulis'],3,1,5.72161865234375 10991,5308,1323,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.59778637,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.891145467758179 10992,5306,-1,,,,0.0,MS1_match,CFZAANHRVVSLNX-LSDHHAIUSA-N,"InChI=1S/C32H28O8/c1-13-8-21-26(22(33)9-13)32(37)28-18(29(21)34)7-6-17(30(28)35)25-19-10-14(2)40-15(3)24(19)31(36)27-20(25)11-16(38-4)12-23(27)39-5/h6-9,11-12,14-15,33,35-36H,10H2,1-5H3/t14-,15+/m0/s1",COc1cc(OC)c2c(O)c3c(c(-c4ccc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C[C@H](C)O[C@@H]3C,C32H28O8,pos_2_2proton,540.1784178559999,CFZAANHRVVSLNX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Karwinskia subcordata,6109400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Karwinskia'],['Karwinskia subcordata'],7,0,7.0 10993,5306,-1,,,,0.0,MS1_match,CFZAANHRVVSLNX-LSDHHAIUSA-N,"InChI=1S/C32H28O8/c1-13-8-21-26(22(33)9-13)32(37)28-18(29(21)34)7-6-17(30(28)35)25-19-10-14(2)40-15(3)24(19)31(36)27-20(25)11-16(38-4)12-23(27)39-5/h6-9,11-12,14-15,33,35-36H,10H2,1-5H3/t14-,15+/m0/s1",COc1cc(OC)c2c(O)c3c(c(-c4ccc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C[C@H](C)O[C@@H]3C,C32H28O8,pos_2_2proton,540.1784178559999,CFZAANHRVVSLNX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Karwinskia johnstonii,6109390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Karwinskia'],['Karwinskia johnstonii'],7,0,7.0 10994,5306,-1,,,,0.0,MS1_match,CFZAANHRVVSLNX-LSDHHAIUSA-N,"InChI=1S/C32H28O8/c1-13-8-21-26(22(33)9-13)32(37)28-18(29(21)34)7-6-17(30(28)35)25-19-10-14(2)40-15(3)24(19)31(36)27-20(25)11-16(38-4)12-23(27)39-5/h6-9,11-12,14-15,33,35-36H,10H2,1-5H3/t14-,15+/m0/s1",COc1cc(OC)c2c(O)c3c(c(-c4ccc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C[C@H](C)O[C@@H]3C,C32H28O8,pos_2_2proton,540.1784178559999,CFZAANHRVVSLNX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Karwinskia mollis,6109392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Karwinskia'],['Karwinskia mollis'],7,0,7.0 10995,5306,-1,,,,0.0,MS1_match,CFZAANHRVVSLNX-LSDHHAIUSA-N,"InChI=1S/C32H28O8/c1-13-8-21-26(22(33)9-13)32(37)28-18(29(21)34)7-6-17(30(28)35)25-19-10-14(2)40-15(3)24(19)31(36)27-20(25)11-16(38-4)12-23(27)39-5/h6-9,11-12,14-15,33,35-36H,10H2,1-5H3/t14-,15+/m0/s1",COc1cc(OC)c2c(O)c3c(c(-c4ccc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C[C@H](C)O[C@@H]3C,C32H28O8,pos_2_2proton,540.1784178559999,CFZAANHRVVSLNX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Karwinskia humboldtiana,88669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Karwinskia'],['Karwinskia humboldtiana'],7,0,7.0 10996,5306,-1,,,,0.0,MS1_match,JDLMCXIIXLAGNF-YXOIUOLKSA-N,"InChI=1S/C32H28O8/c1-14-11-18-25(22(33)12-14)31(37)26-17(28(18)34)9-10-20(29(26)35)32(39-5)19-7-6-8-23(38-4)27(19)30(36)24-16(3)40-15(2)13-21(24)32/h6-12,15-16,33,35H,13H2,1-5H3/t15-,16+,32?/m0/s1",COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)C2(OC)c1ccc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O,C32H28O8,pos_2_2proton,540.178417856,JDLMCXIIXLAGNF,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Karwinskia parvifolia,5763245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Karwinskia'],['Karwinskia parvifolia'],7,0,7.0 10997,5306,-1,,,,0.0,MS1_match,JDLMCXIIXLAGNF-UHFFFAOYSA-N,"InChI=1S/C32H28O8/c1-14-11-18-25(22(33)12-14)31(37)26-17(28(18)34)9-10-20(29(26)35)32(39-5)19-7-6-8-23(38-4)27(19)30(36)24-16(3)40-15(2)13-21(24)32/h6-12,15-16,33,35H,13H2,1-5H3",COc1cccc2c1C(=O)C1=C(CC(C)OC1C)C2(OC)c1ccc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O,C32H28O8,pos_2_2proton,540.178417856,JDLMCXIIXLAGNF,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Karwinskia,88671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Karwinskia'],['Unknown'],7,0,7.0 10998,5305,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.82153714,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.78614854812622 10999,5304,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.41333184,ISDB,,,,,,,LGIKFBYSSJHCQR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6533273458480835 11000,5303,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NISGMKNSSUMSSN-DHXMEVIDSA-N,"InChI=1S/C30H46N2O/c1-20(31-4)25-13-14-26-24-12-11-22-19-23(32(5)28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27,31H,11-19H2,1-5H3/t20-,22+,23+,24+,25-,26+,27+,29+,30-/m1/s1",CN[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C30H46N2O,pos_1_1proton1methanol,450.361014092,NISGMKNSSUMSSN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,3,7.5 11001,5302,-1,,,,0.55977356,ISDB,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.239094257354736 11002,5301,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NRLDULXFOAMEBL-AYHDWYHFSA-N,"InChI=1S/C26H46N2O2/c1-16(28(5)6)21-17(30)13-24(4)19-8-7-18-22(2,15-29)20(27)9-10-25(18)14-26(19,25)12-11-23(21,24)3/h16-21,29-30H,7-15,27H2,1-6H3/t16-,17+,18-,19-,20-,21-,22+,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H46N2O2,pos_2MCa,418.355928712,NRLDULXFOAMEBL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 11003,5298,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6503164,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,11.101265668869019 11004,5298,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6503164,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,11.101265668869019 11005,5297,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.3302552,ISDB,GDEZZTBHSFKRJN-CCICZWJZSA-N,"InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9-,13-11+,14-12+,20-17+,21-15+,22-16+/t19-,23+,24-,25-/m0/s1",CC[C@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO,C26H41NO3,,415.308644172,GDEZZTBHSFKRJN,Polyketides,Linear polyketides,Open-chain polyketides,Myxococcus xanthus,939454.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Deltaproteobacteria'],['Myxococcales'],['Myxococcaceae'],['Unknown'],['Unknown'],['Myxococcus xanthus'],0,0,1.3210208415985107 11006,5296,846,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.83344495,ISDB,UPGREHAFOATQFI-GGURZLOHSA-N,"InChI=1S/C19H28O3/c1-11(2)19-9-6-13-12(16(19)22-19)10-14(20)15-17(13,3)7-5-8-18(15,4)21/h10-11,13,15-16,21H,5-9H2,1-4H3/t13-,15+,16-,17+,18-,19-/m0/s1",CC(C)[C@@]12CC[C@H]3C(=CC(=O)[C@@H]4[C@]3(C)CCC[C@]4(C)O)[C@@H]1O2,C19H28O3,,304.203844756,UPGREHAFOATQFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,2,9.33377981185913 11007,5294,-1,,,,0.53862315,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.154492616653442 11008,5293,146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UGSOUBMAJZNSMP-NTJMZCLCSA-N,"InChI=1S/C33H48N2O3/c1-21(35(5)6)29-27(37)19-33(4)26-14-13-25-23(18-24(26)16-17-32(29,33)3)12-15-28(31(25,2)20-36)34-30(38)22-10-8-7-9-11-22/h7-11,16,18,21,25-29,36-37H,12-15,17,19-20H2,1-6H3,(H,34,38)/t21-,25-,26+,27-,28+,29+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@]4(C)CO)N(C)C,C33H48N2O3,pos_1_1proton,520.366493396,UGSOUBMAJZNSMP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11009,5292,-1,,,,0.7532611,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,10.013044357299805 11010,5292,-1,,,,0.7532611,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,10.013044357299805 11011,5291,123,,,,0.39531127,ISDB,,,,,,,QDBLJDVWLXPWOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5812450647354126 11012,5290,-1,,,,0.0,MS1_match,BRGSDABMUAIXHJ-JIXSKCAHSA-N,"InChI=1S/C33H52N2O4/c1-10-20(2)30(38)34-28-14-11-23-17-24-15-16-32(6)29(21(3)35(8)9)27(39-22(4)37)18-33(32,7)26(24)13-12-25(23)31(28,5)19-36/h10,15,17,21,25-29,36H,11-14,16,18-19H2,1-9H3,(H,34,38)/b20-10+/t21-,25+,26+,27+,28-,29-,31+,32+,33-/m0/s1",C/C=C(\C)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@@]1(C)CO,C33H52N2O4,pos_1_1proton,540.392708144,BRGSDABMUAIXHJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11013,5289,346,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.70972836,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.338913440704346 11014,5288,-1,,,,0.56063616,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,9.242544651031494 11015,5287,185,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.24538147,ISDB,IUDDWQSXVRXZGC-URNAHTMWSA-N,"InChI=1S/C24H32O5/c1-16(2)18-12-14-23(3)19(25)13-15-24(4,29-27)22(23)21(18)28-20(26)11-10-17-8-6-5-7-9-17/h5-11,13,15-16,18-19,21-22,25,27H,12,14H2,1-4H3/b11-10+/t18-,19-,21+,22-,23+,24+/m0/s1",CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)C=C[C@@](C)(OO)[C@H]2[C@@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,IUDDWQSXVRXZGC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Ambrosia artemisioides,7051542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Ambrosia'],['Ambrosia artemisioides'],3,2,4.981525897979736 11016,5286,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 11017,5286,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 11018,5286,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 11019,5286,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 11020,5285,-1,,,,0.7801477,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,9.120590686798096 11021,5284,-1,,,,0.7354121,ISDB,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,7.941648483276367 11022,5283,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MBZYQIZHDWRHKZ-CIGOLHFESA-N,"InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(37(7,8)46)20-30(47-23(3)41)22(2)32(39)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28-,29+,30+,33+,34-,35+,36+,38-,39+/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C39H53NO11,pos_1_1proton,711.361861516,MBZYQIZHDWRHKZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11023,5282,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.63366306,ISDB,DWHCRAGHDDLXEM-UHFFFAOYSA-N,"InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3",CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C23H35NO,,341.27186474,DWHCRAGHDDLXEM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Tetradium ruticarpum,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,7.034652233123779 11024,5282,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.63366306,ISDB,DWHCRAGHDDLXEM-UHFFFAOYSA-N,"InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3",CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C23H35NO,,341.27186474,DWHCRAGHDDLXEM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Euodia rutaecarpa,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,7.034652233123779 11025,5281,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.6047709,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,3,7.919083595275879 11026,5281,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.6047709,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema glomerata,6028406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema glomerata'],4,3,7.919083595275879 11027,5281,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.6047709,ISDB,OBJCWODHUKKNOI-UHFFFAOYSA-N,"InChI=1S/C24H34O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h9,12-14,16-17,19-21,25H,1-8,10-11,15,18H2",Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1,C24H34O,,338.260965708,OBJCWODHUKKNOI,Polyketides,Aromatic polyketides,Catechols with side chains,Knema furfuracea,5700083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema furfuracea'],4,3,7.919083595275879 11028,5280,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11029,5279,-1,,,,0.5551803,ISDB,USNFPPCRYZXOPG-NZMLZKADSA-N,"InChI=1S/C21H28O5/c1-12-13-5-6-14-20(11-26-18(23)21(14,9-13)16(12)22)8-4-7-19(2)10-25-17(24-3)15(19)20/h13-15,17H,1,4-11H2,2-3H3/t13-,14+,15-,17-,19+,20-,21+/m1/s1",C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@@H](OC)[C@H]21)COC3=O,C21H28O5,,360.1936739959999,USNFPPCRYZXOPG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Isodon rubescens,285439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon rubescens'],3,0,5.220721244812012 11030,5278,1678,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,0.33119625,ISDB,AQHYMJMGCVYSDX-ACKWVAFISA-N,"InChI=1S/C21H30O6/c1-10-11-5-6-12-20(9-11,15(10)22)17(23)26-13-7-8-19(2,3)14-16(25-4)27-18(24)21(12,13)14/h11-16,18,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15-,16-,18+,20+,21+/m1/s1",C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)O[C@H](O)[C@@]243)[C@@H]1O,C21H30O6,,378.20423868,AQHYMJMGCVYSDX,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Isodon serra,364890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon serra'],3,3,5.824784994125366 11031,5277,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6509518,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,11.103807210922241 11032,5277,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6509518,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,11.103807210922241 11033,5276,1326,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.7612192,ISDB,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,C30H18O10,,538.089996776,YUSWMAULDXZHPY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sequoiadendron giganteum,810380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Sequoiadendron'],['Sequoiadendron giganteum'],7,3,11.54487681388855 11034,5276,1326,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.7612192,ISDB,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,C30H18O10,,538.089996776,YUSWMAULDXZHPY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,11.54487681388855 11035,5274,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.42593378,ISDB,RTSZUVCSDUONDF-GJSTXJOSSA-N,"InChI=1S/C44H56O4/c1-39(2)34-19-18-33-32(42(34,5)22-21-36(39)48-38(46)31-16-12-9-13-17-31)20-23-44(7)35-28-40(3,24-25-41(35,4)26-27-43(33,44)6)29-47-37(45)30-14-10-8-11-15-30/h8-18,20,34-36H,19,21-29H2,1-7H3/t34-,35+,36+,40+,41+,42+,43+,44-/m0/s1",CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12,C44H56O4,,648.417860272,RTSZUVCSDUONDF,Terpenoids,Triterpenoids,Multiflorane triterpenoids,Trichosanthes scabra,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,1,2.203735113143921 11036,5273,-1,,,,0.7555905,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.022361993789673 11037,5272,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7881848,ISDB,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.65273928642273 11038,5271,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.37934577,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.017383098602295 11039,5269,606,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HALJBSNTDPUVQJ-UHFFFAOYSA-N,"InChI=1S/C26H37NO2/c1-16-19-7-8-22-24(5)11-9-20(17(2)28)23(24,4)13-14-26(22)15-25(19,26)12-10-21(16)27(6)18(3)29/h9,19,21-22H,1,7-8,10-15H2,2-6H3",C=C1C(N(C)C(C)=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C26H37NO2,pos_1_1proton1methanol,395.282429424,HALJBSNTDPUVQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 11040,5267,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FKDZVYSKSQDUKG-LAPIOUSSSA-N,"InChI=1S/C39H48O13/c1-21-31(47-23(3)41)18-30-34(49-25(5)43)17-29(20-40)33(52-35(46)16-15-28-13-11-10-12-14-28)19-32(48-24(4)42)22(2)37(50-26(6)44)38(51-27(7)45)36(21)39(30,8)9/h10-17,30-34,38,40H,18-20H2,1-9H3/b16-15+,29-17-,37-22+/t30-,31-,32-,33-,34-,38+/m0/s1",CC(=O)O/C1=C(\C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.309491596,FKDZVYSKSQDUKG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11041,5267,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11042,5267,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11043,5267,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11044,5267,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VOVBOUNKNIVZDV-HONIKNOTSA-N,"InChI=1S/C39H48O13/c1-21-31(48-24(4)41)18-30-34(50-26(6)43)17-29(20-47-23(3)40)33(52-35(45)16-15-28-13-11-10-12-14-28)19-32(49-25(5)42)22(2)38(51-27(7)44)37(46)36(21)39(30,8)9/h10-17,30-34,37,46H,18-20H2,1-9H3/b16-15+,29-17?,38-22-/t30-,31-,32-,33-,34-,37+/m0/s1",CC(=O)OCC1=C[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.309491596,VOVBOUNKNIVZDV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11045,5267,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QYFRCODLYCJJNA-UHFFFAOYSA-N,"InChI=1S/C39H48O13/c1-21-32(48-24(4)41)18-30-31(45)17-29(20-47-23(3)40)34(52-35(46)16-15-28-13-11-10-12-14-28)19-33(49-25(5)42)22(2)37(50-26(6)43)38(51-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3",CC(=O)OCC1=CC(O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,QYFRCODLYCJJNA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11046,5267,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1proton,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11047,5267,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1proton,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11048,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CKXBHBNBEFREKT-LTHGSNFJSA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26-,27+,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,pos_1_1proton,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11049,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ATFWAVIPCBNDCK-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)30(19)32(42-22(4)37)25-18-27(41-21(3)36)20(2)29(34(25,6)7)31(40)33(35)43-23(5)38/h9-15,25-27,30-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,ATFWAVIPCBNDCK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11050,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LDUCSLMPCQPGFK-UHFFFAOYSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(41-21(3)36)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(39)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CC(O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,LDUCSLMPCQPGFK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11051,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. mairei,388440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus mairei'],6,3,7.5 11052,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11053,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. chinensis,296254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus chinensis'],6,3,7.5 11054,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11055,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-FIZZLDPSSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25?,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11056,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. wallichiana,1043652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11057,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. mairei,388440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus mairei'],6,3,7.5 11058,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11059,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. chinensis,296254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus chinensis'],6,3,7.5 11060,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11061,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-FIZZLDPSSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25?,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11062,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. wallichiana,1043652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11063,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKCFVSFRWFBJHA-GBCSHTAYSA-N,"InChI=1S/C35H44O9/c1-20-26-18-35(33(6,7)40)19-28(41-22(3)36)21(2)30(35)31(42-23(4)37)32(43-24(5)38)34(26,8)17-16-27(20)44-29(39)15-14-25-12-10-9-11-13-25/h9-15,26-28,31-32,40H,1,16-19H2,2-8H3/b15-14+/t26-,27+,28+,31-,32+,34-,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O,C35H44O9,pos_1_1proton1ethylamine,608.298532988,ZKCFVSFRWFBJHA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11064,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SOSLCGUOOOQMEN-HNCSRTHDSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,SOSLCGUOOOQMEN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11065,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SOSLCGUOOOQMEN-HNCSRTHDSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,SOSLCGUOOOQMEN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11066,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MNKBCBWUAFDXSP-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)30(19)31(42-22(4)37)25-18-27(41-21(3)36)20(2)29(34(25,6)7)32(33(35)40)43-23(5)38/h9-15,25-27,30-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,MNKBCBWUAFDXSP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11067,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CKXBHBNBEFREKT-KJFHCHQESA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26?,27?,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,pos_1_1proton,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11068,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMEWFKYIRSRYGK-KMEJJDELSA-N,"InChI=1S/C35H44O9/c1-19-26(39)18-25-31(41-21(3)36)30-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-35(30,8)33(43-23(5)38)32(42-22(4)37)29(19)34(25,6)7/h9-13,25,27,30-33H,2,14-18H2,1,3-8H3/t25-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)CCc2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,XMEWFKYIRSRYGK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11069,5266,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QWAIDSKVFUQONT-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(39)16-17-35(8)30(19)31(41-21(3)36)25-18-27(44-28(40)15-14-24-12-10-9-11-13-24)20(2)29(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,30-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,QWAIDSKVFUQONT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11070,5265,-1,,,,0.0,MS1_match,SLJNSLIEGINNEE-UHFFFAOYSA-N,"InChI=1S/C37H44O11/c1-19-27(42)17-26-33(45-22(4)39)32-20(2)28(48-30(43)16-15-25-13-11-10-12-14-25)18-29(44-21(3)38)37(32,9)35(47-24(6)41)34(46-23(5)40)31(19)36(26,7)8/h10-16,26,28-29,32-35H,2,17-18H2,1,3-9H3",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(C(OC(C)=O)C12)C3(C)C,C37H44O11,pos_1_1proton1ethylamine,664.288362228,SLJNSLIEGINNEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11071,5264,606,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.64177513,ISDB,MALAIGCWTXNVKA-DVSVOVCNSA-N,"InChI=1S/C28H48N2O/c1-18(29(6)7)25-23(31)17-28(5)22-12-11-21-19(16-20(22)14-15-27(25,28)4)10-13-24(30(8)9)26(21,2)3/h14,16,18,21-25,31H,10-13,15,17H2,1-9H3/t18-,21+,22+,23+,24-,25-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C,C28H48N2O,,428.376664156,MALAIGCWTXNVKA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,11.067100524902344 11072,5262,-1,,,,0.0,MS1_match,XRHHDQSPFPQKMS-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1O,C18H16O8,pos_2MNa,360.0845174719999,XRHHDQSPFPQKMS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],6,0,6.0 11073,5262,-1,,,,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_2MNa,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,0,6.0 11074,5262,-1,,,,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_2MNa,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,0,6.0 11075,5262,-1,,,,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_2MNa,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,0,6.0 11076,5262,-1,,,,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_2MNa,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,0,6.0 11077,5261,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MNa,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 11078,5260,-1,,,,0.0,MS1_match,KHBOEHDNAZWJMH-ZGILUUTNSA-N,"InChI=1S/C25H43NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-20,26-28H,7-14H2,1-6H3/t15-,16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C25H43NO2,pos_1_1proton,389.329379616,KHBOEHDNAZWJMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 11079,5259,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11080,5259,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11081,5259,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11082,5258,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1isopropanol,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11083,5257,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.46612284,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.36449134349823 11084,5256,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.79247564,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],3,3,7.669902563095093 11085,5256,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.79247564,ISDB,ZAUXXSQCVPKKPE-HNNXBMFYSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m0/s1",CC1=C2C(=O)c3c(C)coc3C[C@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],3,3,7.669902563095093 11086,5255,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.67563456,ISDB,XRHHDQSPFPQKMS-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3",COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1O,C18H16O8,,360.0845174719999,XRHHDQSPFPQKMS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],6,2,9.702538251876831 11087,5252,477,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,pos_1_1proton,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11088,5252,477,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,pos_1_1proton,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11089,5252,477,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DNYDYJVMCPIMMQ-BZTLBABMSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,39H,13-16,18,20-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21,C35H50N2O4,pos_1_1proton,562.37705808,DNYDYJVMCPIMMQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11090,5250,-1,,,,0.0,MS1_match,BRGSDABMUAIXHJ-JIXSKCAHSA-N,"InChI=1S/C33H52N2O4/c1-10-20(2)30(38)34-28-14-11-23-17-24-15-16-32(6)29(21(3)35(8)9)27(39-22(4)37)18-33(32,7)26(24)13-12-25(23)31(28,5)19-36/h10,15,17,21,25-29,36H,11-14,16,18-19H2,1-9H3,(H,34,38)/b20-10+/t21-,25+,26+,27+,28-,29-,31+,32+,33-/m0/s1",C/C=C(\C)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@@]1(C)CO,C33H52N2O4,pos_2_2proton,540.392708144,BRGSDABMUAIXHJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11091,5249,-1,,,,0.0,MS1_match,YGGLFLYOEHJHSC-SHGMFYAISA-N,"InChI=1S/C32H51NO5/c1-18(2)19(3)16-27(36)38-29-28-24(11-10-22-17-23(33(8)9)14-15-31(22,28)6)26-13-12-25(20(4)34)32(26,7)30(29)37-21(5)35/h22-26,28-30H,10-17H2,1-9H3/t22-,23+,24+,25-,26+,28-,29+,30-,31+,32-/m1/s1",CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)=C(C)C)[C@H]2[C@@H](CC[C@@H]3C[C@@H](N(C)C)CC[C@@]32C)[C@@H]2CC[C@H](C(C)=O)[C@@]12C,C32H51NO5,pos_1_1proton1acetonitrile,529.376723732,YGGLFLYOEHJHSC,Terpenoids,Steroids,,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,0,6.0 11092,5249,-1,,,,0.0,MS1_match,CEFWIVSCALJZMU-XBZOXOFBSA-N,"InChI=1S/C33H50N2O4/c1-20(34(5)6)29-28(37)19-26-23-13-14-25-30(39-21(2)36)27(35(7)31(38)22-11-9-8-10-12-22)16-18-32(25,3)24(23)15-17-33(26,29)4/h8-12,20,23-30,37H,13-19H2,1-7H3/t20-,23+,24-,25-,26-,27+,28-,29-,30+,32+,33-/m0/s1",CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]4[C@@H]3CC[C@@H]12,C33H50N2O4,pos_1_1proton1methanol,538.37705808,CEFWIVSCALJZMU,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,0,6.0 11093,5249,-1,,,,0.0,MS1_match,ZXYJHHCDYJHFRI-ZMFXGSFOSA-N,"InChI=1S/C33H50N2O4/c1-20(34(5)6)24-15-16-25-23-13-14-26-30(39-21(2)36)28(35(7)31(38)22-11-9-8-10-12-22)17-18-32(26,3)27(23)19-29(37)33(24,25)4/h8-12,20,23-30,37H,13-19H2,1-7H3/t20-,23-,24+,25-,26-,27-,28+,29+,30+,32-,33+/m0/s1",CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C33H50N2O4,pos_1_1proton1methanol,538.37705808,ZXYJHHCDYJHFRI,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,0,6.0 11094,5247,3030,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,pos_1_1proton,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11095,5247,3030,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,pos_1_1proton,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11096,5245,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5660388,ISDB,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.764155149459839 11097,5244,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4629635,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.351853966712952 11098,5243,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11099,5243,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11100,5243,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11101,5243,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11102,5242,-1,,,,0.66113305,ISDB,UGCQEPKCDSOOAO-ODXJTPSBSA-N,"InChI=1S/C15H24N2O2/c18-11-4-6-16-9-10-7-12(14(16)8-11)15(19)17-5-2-1-3-13(10)17/h10-14,18H,1-9H2/t10-,11-,12+,13+,14+/m0/s1",O=C1[C@@H]2C[C@@H](CN3CC[C@H](O)C[C@H]23)[C@H]2CCCCN12,C15H24N2O2,,264.183778008,UGCQEPKCDSOOAO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Pinus hartwegii,212471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus hartwegii'],5,0,7.644532203674316 11103,5241,-1,,,,0.6614094,ISDB,XFWSJSOEWSRENH-ITGHMWBKSA-N,"InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)/t10-,11+,12-,13-,14+/m1/s1",O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)CCN3C2)N1,C15H26N2O3,,282.194342692,XFWSJSOEWSRENH,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Cadia purpurea,434075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cadia'],['Cadia purpurea'],3,0,5.645637512207031 11104,5240,-1,,,,0.51620656,ISDB,YVIIYLNDSBRNFS-ZXYBZZKYSA-N,"InChI=1S/C32H54O7/c1-15(2)17(4)29(6)14-23(29)16(3)21-9-10-22-20-12-25(36)32(38)13-19(34)11-24(35)31(32,8)26(20)27(37)28(30(21,22)7)39-18(5)33/h15-17,19-28,34-38H,9-14H2,1-8H3/t16-,17+,19-,20-,21+,22-,23+,24-,25+,26+,27-,28+,29+,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@H]2[C@@H](C[C@@H](O)[C@@]3(O)C[C@@H](O)C[C@H](O)[C@]23C)[C@@H]2CC[C@H]([C@H](C)[C@H]3C[C@]3(C)[C@H](C)C(C)C)[C@@]12C,C32H54O7,,550.386954068,YVIIYLNDSBRNFS,Terpenoids,Steroids,Cholestane steroids,Isis hippuris,87416.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Isididae'],['Unknown'],['Isis'],['Isis hippuris'],1,0,3.064826250076294 11105,5239,-1,,,,0.3392969,ISDB,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],3,0,4.357187628746033 11106,5238,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.50955546,ISDB,,,,,,,SUNHQUXJOLNCSX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.038221836090088 11107,5236,-1,,,,0.41623828,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.664953112602234 11108,5234,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11109,5234,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11110,5234,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11111,5234,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,3,7.5 11112,5234,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MOYWWZOOLCCTFX-WXJTWOLQSA-N,"InChI=1S/C37H44O12/c1-19-26(48-29(43)16-15-24-13-11-10-12-14-24)18-28(44-20(2)38)35(8)30(19)31(45-21(3)39)25-17-27(42)36(9)37(49-36,34(25,6)7)33(47-23(5)41)32(35)46-22(4)40/h10-16,25-26,28,30-33H,1,17-18H2,2-9H3/b16-15+/t25-,26-,28-,30-,31+,32-,33-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C37H44O12,pos_1_1proton1ethylamine,680.2832768479998,MOYWWZOOLCCTFX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11113,5233,8,Terpenoids,Diterpenoids,Cadinane sesquiterpenoids,0.2719439,ISDB,SIFBYOROOILJHS-DQUWJENYSA-N,"InChI=1S/C24H32O4/c1-14-8-9-24(4)19(16(14)3)7-6-15(2)20(24)10-17-11-22(26)18(12-21(17)25)13-23(27)28-5/h11-12,14,20,25-26H,2,6-10,13H2,1,3-5H3/t14?,20?,24-/m0/s1",C=C1CCC2=C(C)C(C)CC[C@]2(C)C1Cc1cc(O)c(CC(=O)OC)cc1O,C24H32O4,,384.230059504,SIFBYOROOILJHS,Terpenoids,Diterpenoids,,Peyssonnelia,168826.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Peyssonnelia'],['Unknown'],2,2,4.0877755880355835 11114,5232,-1,,,,0.80527574,ISDB,JCVVMRFAPQPJBD-UHFFFAOYSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3",CC(C)C1=CC2Oc3ccccc3CC2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longeracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],3,0,6.221102952957153 11115,5232,-1,,,,0.80527574,ISDB,JCVVMRFAPQPJBD-IRXDYDNUSA-N,"InChI=1S/C17H22O/c1-12(2)13-8-9-17(3)11-14-6-4-5-7-15(14)18-16(17)10-13/h4-7,10,12,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1",CC(C)C1=C[C@@H]2Oc3ccccc3C[C@]2(C)CC1,C17H22O,,242.167065324,JCVVMRFAPQPJBD,Terpenoids,Sesquiterpenoids,,Indigofera longiracemosa,720794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera longiracemosa'],3,0,6.221102952957153 11116,5231,-1,,,,0.5942752,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.377100706100464 11117,5230,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6558717,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,3,7.123486757278442 11118,5230,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6558717,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,3,7.123486757278442 11119,5230,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6558717,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,3,7.123486757278442 11120,5230,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6558717,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,3,7.123486757278442 11121,5230,414,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.6558717,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,3,7.123486757278442 11122,5228,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1methanol,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11123,5227,-1,,,,0.44045,ISDB,MVXOAXKXHPEDBB-LBPRGKRZSA-N,"InChI=1S/C13H18O4/c1-8(14)9-4-5-11(15)10(6-9)7-12(16)13(2,3)17/h4-6,12,15-17H,7H2,1-3H3/t12-/m0/s1",CC(=O)c1ccc(O)c(C[C@H](O)C(C)(C)O)c1,C13H18O4,,238.120509056,MVXOAXKXHPEDBB,,,,Xenophyllum ciliolatum,7610033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Xenophyllum'],['Xenophyllum ciliolatum'],3,0,4.761800050735474 11124,5226,1194,Amino acids and Peptides,Oligopeptides,Linear peptides,0.5015137,ISDB,ZGJXYRPLBATJNC-DSADKFDTSA-N,"InChI=1S/C33H61N5O9/c1-11-12-26(41)37-29(19(6)7)33(47)38-30(20(8)9)32(46)36-22(13-17(2)3)24(39)15-27(42)34-21(10)31(45)35-23(14-18(4)5)25(40)16-28(43)44/h17-25,29-30,39-40H,11-16H2,1-10H3,(H,34,42)(H,35,45)(H,36,46)(H,37,41)(H,38,47)(H,43,44)/t21-,22-,23-,24-,25-,29+,30-/m1/s1",CCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C,C33H61N5O9,,671.446928532,ZGJXYRPLBATJNC,Amino acids and Peptides,Oligopeptides,Linear peptides,Streptomyces abikoensis,278149.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces abikoensis'],0,3,3.5060548782348633 11125,5226,1194,Amino acids and Peptides,Oligopeptides,Linear peptides,0.5015137,ISDB,ZGJXYRPLBATJNC-DSADKFDTSA-N,"InChI=1S/C33H61N5O9/c1-11-12-26(41)37-29(19(6)7)33(47)38-30(20(8)9)32(46)36-22(13-17(2)3)24(39)15-27(42)34-21(10)31(45)35-23(14-18(4)5)25(40)16-28(43)44/h17-25,29-30,39-40H,11-16H2,1-10H3,(H,34,42)(H,35,45)(H,36,46)(H,37,41)(H,38,47)(H,43,44)/t21-,22-,23-,24-,25-,29+,30-/m1/s1",CCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C,C33H61N5O9,,671.446928532,ZGJXYRPLBATJNC,Amino acids and Peptides,Oligopeptides,Linear peptides,Streptomyces parvisporogenes,92359.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces parvisporogenes'],0,3,3.5060548782348633 11126,5225,-1,,,,0.84260935,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,0,10.370437383651733 11127,5224,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.40587217,ISDB,AYDJDNNMKHXZOQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C(=O)O)C1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,3,9.123488664627075 11128,5223,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1isopropanol,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11129,5221,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 11130,5221,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 11131,5219,227,Fatty acids,Diterpenoids,Fatty alcohols,0.54427284,ISDB,JAKAZHIACKJNNB-RTBURBONSA-N,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3/t18-,19-/m1/s1",C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O,C19H34O4,,326.24570956799994,JAKAZHIACKJNNB,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,3,7.677091360092163 11132,5217,-1,,,,0.6932104,ISDB,XTSAKAIOOOOJPS-UHFFFAOYSA-N,"InChI=1S/C30H26O12/c1-14-24(36)26(38)29(41-22(35)11-4-15-2-7-17(31)8-3-15)30(39-14)42-28-25(37)23-20(34)12-19(33)13-21(23)40-27(28)16-5-9-18(32)10-6-16/h2-14,24,26,29-34,36,38H,1H3",CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(OC(=O)C=Cc2ccc(O)cc2)C(O)C1O,C30H26O12,,578.142426272,XTSAKAIOOOOJPS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Platanus orientalis,787466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Platanaceae'],['Unknown'],['Platanus'],['Platanus orientalis'],4,0,6.772841691970825 11133,5217,-1,,,,0.6932104,ISDB,XTSAKAIOOOOJPS-OKOXDJDNSA-N,"InChI=1S/C30H26O12/c1-14-24(36)26(38)29(41-22(35)11-4-15-2-7-17(31)8-3-15)30(39-14)42-28-25(37)23-20(34)12-19(33)13-21(23)40-27(28)16-5-9-18(32)10-6-16/h2-14,24,26,29-34,36,38H,1H3/b11-4+/t14-,24-,26+,29+,30-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1O,C30H26O12,,578.142426272,XTSAKAIOOOOJPS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],4,0,6.772841691970825 11134,5216,155,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.47280455,ISDB,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.391218185424805 11135,5215,146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6402732,ISDB,UGSOUBMAJZNSMP-NTJMZCLCSA-N,"InChI=1S/C33H48N2O3/c1-21(35(5)6)29-27(37)19-33(4)26-14-13-25-23(18-24(26)16-17-32(29,33)3)12-15-28(31(25,2)20-36)34-30(38)22-10-8-7-9-11-22/h7-11,16,18,21,25-29,36-37H,12-15,17,19-20H2,1-6H3,(H,34,38)/t21-,25-,26+,27-,28+,29+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@]4(C)CO)N(C)C,C33H48N2O3,,520.366493396,UGSOUBMAJZNSMP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.061092853546143 11136,5214,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OGGNNGIHZJAPJR-MJLUPTTCSA-N,"InChI=1S/C32H54N2O3/c1-9-20(2)28(36)29(37)33-27-13-10-22-18-23-14-16-31(5)24(21(3)34(7)8)15-17-32(31,6)26(23)12-11-25(22)30(27,4)19-35/h14,18,20-21,24-28,35-36H,9-13,15-17,19H2,1-8H3,(H,33,37)/t20-,21-,24+,25+,26+,27-,28-,30-,31+,32-/m0/s1",CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO,C32H54N2O3,pos_1_1proton,514.413443588,OGGNNGIHZJAPJR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 11137,5214,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WQUVNLRFMHVSNA-WHIBQGNGSA-N,"InChI=1S/C32H54N2O3/c1-20(2)28(36)29(37)34(9)27-13-10-22-18-23-14-16-31(5)24(21(3)33(7)8)15-17-32(31,6)26(23)12-11-25(22)30(27,4)19-35/h14,18,20-21,24-28,35-36H,10-13,15-17,19H2,1-9H3/t21-,24-,25-,26-,27+,28+,30+,31-,32+/m1/s1",CC(C)[C@H](O)C(=O)N(C)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO,C32H54N2O3,pos_1_1proton,514.413443588,WQUVNLRFMHVSNA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 11138,5213,-1,,,,0.79319614,ISDB,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.172784566879272 11139,5212,802,Fatty acids,Fatty amides,N-acyl amines,0.5482593,ISDB,IXODJGLAVBPVSW-UHFFFAOYSA-N,"InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,26,27)",CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1,C25H43NO,,373.334464996,IXODJGLAVBPVSW,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,7.693037271499634 11140,5211,3384,Fatty acids,Fatty amides,N-acyl amines,0.6506257,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6025028228759766 11141,5210,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5671647,ISDB,QILSEMOPVAZWLY-DSJRXEMUSA-N,"InChI=1S/C28H46N2O/c1-19(29(5)6)22-13-15-28(4)24-10-9-23-20(16-21(24)12-14-27(22,28)3)8-11-25-26(23,2)17-31-18-30(25)7/h12,16,19,22-25H,8-11,13-15,17-18H2,1-7H3/t19-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C)N(C)C,C28H46N2O,,426.361014092,QILSEMOPVAZWLY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.768658876419067 11142,5209,2164,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.5141221,ISDB,DZBDDACPJRFJGO-NXBFSHDWSA-N,"InChI=1S/C19H34N2O2/c1-13-9-14(11-16-5-3-4-8-21(16)2)17-7-6-15(12-19(22)23)20-18(17)10-13/h13-18,20H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,17+,18-/m1/s1",C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CC[C@@H](CC(=O)O)N[C@@H]2C1,C19H34N2O2,,322.262028328,DZBDDACPJRFJGO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lycopodiella cernua,429356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Palhinhaea'],['Palhinhaea cernua'],3,3,6.556488513946533 11143,5208,2537,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPOWRRDYXUYBJR-UHFFFAOYSA-N,"InChI=1S/C41H55NO14/c1-20-28(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)18-30(52-23(4)44)40(10)32(20)36(54-25(6)46)41(50)19-29(51-22(3)43)21(2)31(39(41,8)9)35(53-24(5)45)37(40)55-26(7)47/h13-17,28-30,32-37,48,50H,1,18-19H2,2-12H3",C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C41H55NO14,pos_1_1proton,785.36225544,KPOWRRDYXUYBJR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11144,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11145,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11146,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11147,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11148,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11149,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZJHORUWDAUIHTD-UHFFFAOYSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)33(46-23(4)40)31-21(2)28(48-29(43)18-26(38(9)10)25-14-12-11-13-15-25)16-17-36(31,8)34(47-24(5)41)32(45-22(3)39)30(20)35(37,6)7/h11-15,26,28,31-34,44H,2,16-19H2,1,3-10H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,ZJHORUWDAUIHTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11150,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XQLJYGLHZIUECS-GLESJUERSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.2777975439999,XQLJYGLHZIUECS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11151,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CVSYBUKGIXQKJN-QFTQROJLSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)32(46-23(4)40)30-21(2)28(48-34(43)26(38(9)10)18-25-14-12-11-13-15-25)16-17-36(30,8)33(47-24(5)41)31(45-22(3)39)29(20)35(37,6)7/h11-15,26,28,30-33,44H,2,16-19H2,1,3-10H3/t26?,28-,30-,31+,32-,33-,36+,37+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,CVSYBUKGIXQKJN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11152,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11153,5207,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11154,5206,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.34222296,ISDB,VLIMIPZMVDYYFR-FBMOLHIYSA-N,"InChI=1S/C36H41N5O4/c1-23(2)33-32(40-35(43)31(41(3)4)20-25-10-6-5-7-11-25)36(44)39-30(21-26-22-38-29-13-9-8-12-28(26)29)34(42)37-19-18-24-14-16-27(45-33)17-15-24/h5-19,22-23,30-33,38H,20-21H2,1-4H3,(H,37,42)(H,39,44)(H,40,43)/b19-18-/t30-,31-,32-,33-/m0/s1",CC(C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)N(C)C,C36H41N5O4,,607.315854792,VLIMIPZMVDYYFR,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Melochia chamaedrys,6115751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Melochia'],['Melochia chamaedrys'],3,0,4.3688918352127075 11155,5203,105,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AXDCYYBJKVWQML-UWGXVUJWSA-N,"InChI=1S/C30H46N2O3/c1-18(32(4)5)21-13-14-22-20-11-12-24-27(34)26(31-28(35)19-9-7-6-8-10-19)25(33)17-30(24,3)23(20)15-16-29(21,22)2/h6-10,18,20-27,33-34H,11-17H2,1-5H3,(H,31,35)/t18-,20-,21+,22-,23-,24-,25+,26+,27-,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@H](NC(=O)c5ccccc5)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O3,pos_1_1proton1isopropanol,482.350843332,AXDCYYBJKVWQML,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,1,6.5 11156,5202,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11157,5202,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11158,5202,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11159,5202,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11160,5202,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11161,5202,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11162,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,3,9.5 11163,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,3,9.5 11164,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 11165,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 11166,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 11167,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 11168,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 11169,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 11170,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 11171,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 11172,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus myrtifolia,302846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus myrtifolia'],8,3,9.5 11173,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 11174,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-MXNNCRBYSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1",N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,3,9.5 11175,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 11176,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 11177,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 11178,5201,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 11179,5200,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MBZYQIZHDWRHKZ-CIGOLHFESA-N,"InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(37(7,8)46)20-30(47-23(3)41)22(2)32(39)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28-,29+,30+,33+,34-,35+,36+,38-,39+/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C39H53NO11,pos_1_1proton,711.361861516,MBZYQIZHDWRHKZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11180,5197,-1,,,,0.8023677,ISDB,BJGPJGLFIWNAAZ-UHFFFAOYSA-N,"InChI=1S/C17H12O7/c1-22-15-9(19)5-10-12(13(15)20)14(21)17-16(24-10)11-7(6-23-17)3-2-4-8(11)18/h2-5,18-20H,6H2,1H3",COc1c(O)cc2oc3c(c(=O)c2c1O)OCc1cccc(O)c1-3,C17H12O7,,328.058302724,BJGPJGLFIWNAAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Iris bungei,1011598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris bungei'],3,0,6.209470748901367 11181,5197,-1,,,,0.8023677,ISDB,BJGPJGLFIWNAAZ-UHFFFAOYSA-N,"InChI=1S/C17H12O7/c1-22-15-9(19)5-10-12(13(15)20)14(21)17-16(24-10)11-7(6-23-17)3-2-4-8(11)18/h2-5,18-20H,6H2,1H3",COc1c(O)cc2oc3c(c(=O)c2c1O)OCc1cccc(O)c1-3,C17H12O7,,328.058302724,BJGPJGLFIWNAAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Iris tenuifolia,43090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris tenuifolia'],3,0,6.209470748901367 11182,5197,-1,,,,0.8023677,ISDB,BJGPJGLFIWNAAZ-UHFFFAOYSA-N,"InChI=1S/C17H12O7/c1-22-15-9(19)5-10-12(13(15)20)14(21)17-16(24-10)11-7(6-23-17)3-2-4-8(11)18/h2-5,18-20H,6H2,1H3",COc1c(O)cc2oc3c(c(=O)c2c1O)OCc1cccc(O)c1-3,C17H12O7,,328.058302724,BJGPJGLFIWNAAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Iris songarica,562933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris songarica'],3,0,6.209470748901367 11183,5196,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OCHDFFCQHATESH-OMVMMUDDSA-N,"InChI=1S/C33H42O9/c1-17-24(37)16-23-28(39-19(3)34)27-18(2)25(42-31(38)22-12-10-9-11-13-22)14-15-33(27,8)30(41-21(5)36)29(40-20(4)35)26(17)32(23,6)7/h9-13,23-25,27-30,37H,2,14-16H2,1,3-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H42O9,pos_1_1proton1acetonitrile,582.282882924,OCHDFFCQHATESH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11184,5196,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RVJHLRGBPGMFRC-OMVMMUDDSA-N,"InChI=1S/C33H42O9/c1-17-24(37)14-15-33(8)27(17)28(39-19(3)34)23-16-25(42-31(38)22-12-10-9-11-13-22)18(2)26(32(23,6)7)29(40-20(4)35)30(33)41-21(5)36/h9-13,23-25,27-30,37H,1,14-16H2,2-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)c4ccccc4)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H42O9,pos_1_1proton1acetonitrile,582.282882924,RVJHLRGBPGMFRC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11185,5196,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,UPWPZXQNFGMDHD-VABNOWBQSA-N,"InChI=1S/C33H42O9/c1-18-24(40-19(2)34)15-23-26(41-20(3)35)14-22-17-33(6,31(39)30(38)29(18)32(23,4)5)27(36)16-25(22)42-28(37)13-12-21-10-8-7-9-11-21/h7-13,22-27,30,36,38H,14-17H2,1-6H3/b13-12+/t22-,23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)C[C@H]3C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)/C=C/c1ccccc1,C33H42O9,pos_1_1proton1acetonitrile,582.282882924,UPWPZXQNFGMDHD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11186,5196,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZNDNIKJPCFPZJG-OMQSHQQQSA-N,"InChI=1S/C33H42O9/c1-18-24(41-25(36)14-13-22-11-9-8-10-12-22)15-16-31(7)26(18)27(39-20(3)34)23-17-32(37)19(2)33(38,30(23,5)6)29(28(31)42-32)40-21(4)35/h8-14,19,23-24,26-29,37-38H,1,15-17H2,2-7H3/b14-13+/t19-,23+,24+,26+,27-,28+,29+,31-,32+,33+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@H]3O[C@@]4(O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C(C)(C)[C@@](O)([C@H]3OC(C)=O)[C@@H]4C,C33H42O9,pos_1_1proton1acetonitrile,582.282882924,ZNDNIKJPCFPZJG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11187,5195,1120,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MBBVSKBTNJDURZ-NQLMQOPMSA-N,"InChI=1S/C17H28O5/c1-10(9-22-11(2)18)12-5-7-16(3,20)13-6-8-17(4,21)14(13)15(12)19/h12-15,19-21H,1,5-9H2,2-4H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(COC(C)=O)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@@](C)(O)[C@@H]2[C@H]1O,C17H28O5,pos_1_1proton1ethylamine,312.193673996,MBBVSKBTNJDURZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 11188,5194,-1,,,,0.0,MS1_match,MBBVSKBTNJDURZ-NQLMQOPMSA-N,"InChI=1S/C17H28O5/c1-10(9-22-11(2)18)12-5-7-16(3,20)13-6-8-17(4,21)14(13)15(12)19/h12-15,19-21H,1,5-9H2,2-4H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(COC(C)=O)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@@](C)(O)[C@@H]2[C@H]1O,C17H28O5,pos_1_1sodium,312.193673996,MBBVSKBTNJDURZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 11189,5193,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.74456716,ISDB,OVDMFKGCVWVONO-BSTGVKIKSA-N,"InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,12-14H,4,6-8H2,1-3H3/b10-5+,11-9+/t12-,13-,14+/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1,C15H22O2,,234.161979944,OVDMFKGCVWVONO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia kachirachirai,843602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kachirachirai'],7,3,11.47826862335205 11190,5192,262,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,QNLZIZAQLLYXTC-UHFFFAOYSA-N,"InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",Cc1ccc2ccccc2c1C,C12H12,pos_1_1proton1isopropanol,156.093900384,QNLZIZAQLLYXTC,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,3,8.5 11191,5191,-1,,,,0.6054579,ISDB,JGONUWOERJCFMF-UHFFFAOYSA-N,"InChI=1S/C15H18O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9H,3,6H2,1-2,4H3,(H,16,17)",C=C(C)c1cc(=O)c(O)ccc1CC=C(C)C,C15H18O2,,230.130679816,JGONUWOERJCFMF,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Juniperus procera,814110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus procera'],6,0,8.421831607818604 11192,5190,-1,,,,0.4542942,ISDB,,,,,,,PPANCHFCINNDOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8171768188476562 11193,5189,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.51440686,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.057627439498901 11194,5188,942,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.48115283,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,3,10.424611330032349 11195,5187,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1proton,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,2,10.0 11196,5186,-1,,,,0.0,MS1_match,LTGGNRAWDQDJNH-UPMAXNIISA-N,"InChI=1S/C30H50N2O2/c1-9-10-25(34)31-23-14-16-29-18-30(29)22(12-11-21(29)26(23,3)4)27(5)15-13-20(19(2)32(7)8)28(27,6)17-24(30)33/h19-23H,9-18H2,1-8H3,(H,31,34)/t19-,20+,21+,22-,23+,27-,28+,29+,30-/m0/s1",CCCC(=O)N[C@@H]1CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]3C1(C)C,C30H50N2O2,pos_1_1proton,470.38722884,LTGGNRAWDQDJNH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,7.0 11197,5186,-1,,,,0.0,MS1_match,JPMNMGBHXBRHQJ-UHFFFAOYSA-N,"InChI=1S/C30H50N2O2/c1-18(2)25(34)31-23-13-15-29-17-30(29)22(11-10-21(29)26(23,4)5)27(6)14-12-20(19(3)32(8)9)28(27,7)16-24(30)33/h18-23H,10-17H2,1-9H3,(H,31,34)",CC(C)C(=O)NC1CCC23CC24C(=O)CC2(C)C(C(C)N(C)C)CCC2(C)C4CCC3C1(C)C,C30H50N2O2,pos_1_1proton,470.38722884,JPMNMGBHXBRHQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,7.0 11198,5184,2245,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.5124227,ISDB,XCYQROBARDDSAF-RYQLBKOJSA-N,"InChI=1S/C18H26O3/c1-17(11-19)9-4-10-18(2)13-6-7-14(21-3)16(20)12(13)5-8-15(17)18/h6-7,15,19-20H,4-5,8-11H2,1-3H3/t15-,17-,18+/m0/s1",COc1ccc2c(c1O)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C18H26O3,,290.188194692,XCYQROBARDDSAF,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],5,2,8.04969072341919 11199,5180,475,Polyketides,Naphthalenes,Naphthoquinones,0.76955533,ISDB,YJYNIQQTZMGISK-UHFFFAOYSA-N,"InChI=1S/C22H16O6/c1-9-7-15(25)19-13(23)5-3-11(17(19)21(9)27)12-4-6-14(24)20-16(26)8-10(2)22(28)18(12)20/h3-7,10,23-24H,8H2,1-2H3",CC1=CC(=O)c2c(O)ccc(-c3ccc(O)c4c3C(=O)C(C)CC4=O)c2C1=O,C22H16O6,,376.094688232,YJYNIQQTZMGISK,Polyketides,Naphthalenes,Naphthoquinones,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],7,3,11.578221321105957 11200,5179,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMNDJFQMPPGUNI-UHFFFAOYSA-N,"InChI=1S/C35H50N2O5/c1-20(37(7)8)24-14-15-33(5)27-17-26(41-21(2)38)29-23(18-35(27)28(42-35)19-34(24,33)6)16-25(39)30(32(29,3)4)36-31(40)22-12-10-9-11-13-22/h9-13,16,20,24-30,39H,14-15,17-19H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C3(CC4=CC(O)C(NC(=O)c5ccccc5)C(C)(C)C41)OC3CC1(C)C(C(C)N(C)C)CCC21C,C35H50N2O5,pos_1_1proton,578.3719727,JMNDJFQMPPGUNI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11201,5178,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.7083527,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],3,3,7.333410739898682 11202,5176,-1,,,,0.0,MS1_match,BHOQLEQHXKFSAO-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c1-23-14-6-7-17-16(11-14)15-8-9-20-18(19(15)21-17)10-12-2-4-13(22)5-3-12/h2-9,11,21-22H,10H2,1H3",COc1ccc2[nH]c3c(Cc4ccc(O)cc4)nccc3c2c1,C19H16N2O2,pos_1_1proton1dmso,304.121177752,BHOQLEQHXKFSAO,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Aniba santalodora,6025357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba santalodora'],6,0,6.0 11203,5175,249,Terpenoids,Steroids,Cardenolides,0.50456506,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.51826024055481 11204,5174,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YJLKXWCZWJGUAN-OILLXYFHSA-N,"InChI=1S/C39H46O15/c1-20-28(54-31(46)15-14-26-12-10-9-11-13-26)17-30(50-22(3)41)38(19-48-21(2)40)32(20)33(51-23(4)42)27-16-29(45)37(8)39(47,36(27,7)18-49-37)35(53-25(6)44)34(38)52-24(5)43/h9-15,27-28,30,32-35,47H,1,16-19H2,2-8H3/b15-14+/t27-,28-,30-,32-,33+,34-,35-,36-,37+,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C39H46O15,pos_1_1proton1ethylamine,754.283670772,YJLKXWCZWJGUAN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11205,5173,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FKDZVYSKSQDUKG-LAPIOUSSSA-N,"InChI=1S/C39H48O13/c1-21-31(47-23(3)41)18-30-34(49-25(5)43)17-29(20-40)33(52-35(46)16-15-28-13-11-10-12-14-28)19-32(48-24(4)42)22(2)37(50-26(6)44)38(51-27(7)45)36(21)39(30,8)9/h10-17,30-34,38,40H,18-20H2,1-9H3/b16-15+,29-17-,37-22+/t30-,31-,32-,33-,34-,38+/m0/s1",CC(=O)O/C1=C(\C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.309491596,FKDZVYSKSQDUKG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11206,5173,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11207,5173,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11208,5173,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YQWATTVJPRZZEE-HWFKHETCSA-N,"InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,39-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,YQWATTVJPRZZEE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11209,5173,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VOVBOUNKNIVZDV-HONIKNOTSA-N,"InChI=1S/C39H48O13/c1-21-31(48-24(4)41)18-30-34(50-26(6)43)17-29(20-47-23(3)40)33(52-35(45)16-15-28-13-11-10-12-14-28)19-32(49-25(5)42)22(2)38(51-27(7)44)37(46)36(21)39(30,8)9/h10-17,30-34,37,46H,18-20H2,1-9H3/b16-15+,29-17?,38-22-/t30-,31-,32-,33-,34-,37+/m0/s1",CC(=O)OCC1=C[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.309491596,VOVBOUNKNIVZDV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11210,5173,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QYFRCODLYCJJNA-UHFFFAOYSA-N,"InChI=1S/C39H48O13/c1-21-32(48-24(4)41)18-30-31(45)17-29(20-47-23(3)40)34(52-35(46)16-15-28-13-11-10-12-14-28)19-33(49-25(5)42)22(2)37(50-26(6)43)38(51-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3",CC(=O)OCC1=CC(O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C,C39H48O13,pos_1_1proton1ethylamine,724.3094915959999,QYFRCODLYCJJNA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11211,5173,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1proton,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11212,5173,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,WKBGGGLQBJFAIE-TYSRQZBFSA-N,"InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C41H55NO13,pos_1_1proton,769.3673408199998,WKBGGGLQBJFAIE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11213,5172,-1,,,,0.6561924,ISDB,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.624769687652588 11214,5171,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 11215,5171,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 11216,5171,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 11217,5171,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 11218,5170,-1,,,,0.6349264,ISDB,DPSQDOCBOUVEOW-UHFFFAOYSA-N,"InChI=1S/C18H35NO3/c1-15(21)10-8-6-4-2-3-5-7-9-11-16-12-13-18(22)17(14-20)19-16/h16-20,22H,2-14H2,1H3",CC(=O)CCCCCCCCCCC1CCC(O)C(CO)N1,C18H35NO3,,313.26169398,DPSQDOCBOUVEOW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],3,0,5.539705514907837 11219,5168,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5475471,ISDB,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.69018840789795 11220,5167,-1,,,,0.349319,ISDB,XPXCWUPURKUWHC-RYUDHWBXSA-N,"InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H24O3,,252.172544628,XPXCWUPURKUWHC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],5,0,6.397276043891907 11221,5167,-1,,,,0.349319,ISDB,XPXCWUPURKUWHC-RYUDHWBXSA-N,"InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H24O3,,252.172544628,XPXCWUPURKUWHC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cedrus libani,608496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus libani'],5,0,6.397276043891907 11222,5167,-1,,,,0.349319,ISDB,XPXCWUPURKUWHC-RYUDHWBXSA-N,"InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H24O3,,252.172544628,XPXCWUPURKUWHC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,0,6.397276043891907 11223,5164,-1,,,,0.33262724,ISDB,,,,,,,JDWFVYGIMXNDKW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3305089473724365 11224,5163,-1,,,,0.61812735,ISDB,HIDAYMRWVVNXAO-GIYMPXGUSA-N,"InChI=1S/C27H41NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15,17-23,25,31H,4-14H2,1-3H3/t15-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27+/m0/s1",C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5CC(=O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@@]2(C)O,C27H41NO3,,427.308644172,HIDAYMRWVVNXAO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Fritillaria raddeana,172935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria raddeana'],4,0,6.472509384155273 11225,5163,-1,,,,0.61812735,ISDB,HIDAYMRWVVNXAO-GIYMPXGUSA-N,"InChI=1S/C27H41NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15,17-23,25,31H,4-14H2,1-3H3/t15-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27+/m0/s1",C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5CC(=O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@@]2(C)O,C27H41NO3,,427.308644172,HIDAYMRWVVNXAO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Fritillaria eduardii,3966616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Fritillaria'],['Fritillaria eduardii'],4,0,6.472509384155273 11226,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria violacea,5793117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria violacea'],3,2,6.829318523406982 11227,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria discolor,5793077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria discolor'],3,2,6.829318523406982 11228,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-HNYRCEHSSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@@](C)([C@H]3C[C@@H]4C=CO[C@@H]4O3)[C@@H]1CCC[C@@]21CO1,C24H34O7,,434.230453428,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Tripora divaricata,503293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Tripora'],['Tripora divaricata'],3,2,6.829318523406982 11229,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga bracteosa,5793030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga bracteosa'],3,2,6.829318523406982 11230,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum brachyanthum,6086123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum brachyanthum'],3,2,6.829318523406982 11231,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum,274806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Unknown'],3,2,6.829318523406982 11232,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ajuga integrifolia,6086036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Ajuga'],['Ajuga integrifolia'],3,2,6.829318523406982 11233,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Clerodendrum infortunatum,460156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum infortunatum'],3,2,6.829318523406982 11234,5162,820,Terpenoids,Diterpenoids,Abietane diterpenoids,0.70732963,ISDB,CNIWQELMLPUFOS-NVSXQWMQSA-N,"InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1",CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@]21CO1,C24H34O7,,434.2304534279999,CNIWQELMLPUFOS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Scutellaria albida,5793091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Scutellaria'],['Scutellaria albida'],3,2,6.829318523406982 11235,5161,2737,Terpenoids,Diterpenoids,Gibberellins,0.76219815,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,11.548792600631714 11236,5160,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-PDBXOOCHSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1ammonium,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,0,6.0 11237,5160,-1,,,,0.0,MS1_match,SECPZKHBENQXJG-FPLPWBNLSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",CCCCCC/C=C\CCCCCCCC(=O)O,C16H30O2,pos_1_1proton1acetonitrile,254.2245802,SECPZKHBENQXJG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,0,6.0 11238,5159,-1,,,,0.54396284,ISDB,NJVRXPKRTJKFCO-JLNATWFSSA-N,"InChI=1S/C21H28O6/c1-10-11-5-6-12-20(9-11,15(10)22)17(23)26-13-7-8-19(2,3)14-16(25-4)27-18(24)21(12,13)14/h11-14,16,18,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,16-,18+,20+,21+/m1/s1",C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12[C@H](CCC(C)(C)[C@H]1[C@H](OC)O[C@@H]2O)OC3=O,C21H28O6,,376.188588616,NJVRXPKRTJKFCO,Terpenoids,Diterpenoids,Secokaurane diterpenoids,Isodon serra,364890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon serra'],3,0,5.175851345062256 11239,5159,-1,,,,0.54396284,ISDB,NJVRXPKRTJKFCO-UHFFFAOYSA-N,"InChI=1S/C21H28O6/c1-10-11-5-6-12-20(9-11,15(10)22)17(23)26-13-7-8-19(2,3)14-16(25-4)27-18(24)21(12,13)14/h11-14,16,18,24H,1,5-9H2,2-4H3",C=C1C(=O)C23CC1CCC2C12C(O)OC(OC)C1C(C)(C)CCC2OC3=O,C21H28O6,,376.188588616,NJVRXPKRTJKFCO,Terpenoids,Diterpenoids,Secokaurane diterpenoids,Isodon phyllostachys,1017563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon phyllostachys'],3,0,5.175851345062256 11240,5158,-1,,,,0.2990695,ISDB,BRGSDABMUAIXHJ-JIXSKCAHSA-N,"InChI=1S/C33H52N2O4/c1-10-20(2)30(38)34-28-14-11-23-17-24-15-16-32(6)29(21(3)35(8)9)27(39-22(4)37)18-33(32,7)26(24)13-12-25(23)31(28,5)19-36/h10,15,17,21,25-29,36H,11-14,16,18-19H2,1-9H3,(H,34,38)/b20-10+/t21-,25+,26+,27+,28-,29-,31+,32+,33-/m0/s1",C/C=C(\C)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@@]1(C)CO,C33H52N2O4,,540.392708144,BRGSDABMUAIXHJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,9.196277976036072 11241,5157,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.45683342,ISDB,NHYIETFMKIFXQL-VPEHNIDMSA-N,"InChI=1S/C30H50O5/c1-26(2)21-9-8-20-19(28(21,5)13-12-22(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-23(32)35-24(17)25(33)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18+,19+,21+,22+,23-,24-,25+,28-,29+,30-/m1/s1",CC(C)(O)[C@@H](O)[C@@H]1O[C@@H](O)C[C@@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C,C30H50O5,,490.3658247,NHYIETFMKIFXQL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],4,0,5.827333688735962 11242,5157,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.45683342,ISDB,NHYIETFMKIFXQL-VPEHNIDMSA-N,"InChI=1S/C30H50O5/c1-26(2)21-9-8-20-19(28(21,5)13-12-22(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-23(32)35-24(17)25(33)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18+,19+,21+,22+,23-,24-,25+,28-,29+,30-/m1/s1",CC(C)(O)[C@@H](O)[C@@H]1O[C@@H](O)C[C@@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C,C30H50O5,,490.3658247,NHYIETFMKIFXQL,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Azadirachta indica,481682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Azadirachta'],['Azadirachta indica'],4,0,5.827333688735962 11243,5155,-1,,,,0.34203386,ISDB,MZDDZQHJGYVFIB-MWOFKKPWSA-N,"InChI=1S/C26H32O8/c1-12-16-11-24(6)13(2)26(22(31)32-8,20(19(24)29)33-14(3)27)25(16,7)10-9-15-17(12)18(28)21(30)34-23(15,4)5/h9,16,18,20,28H,2,10-11H2,1,3-8H3/t16-,18-,20+,24-,25+,26+/m1/s1",C=C1[C@@]2(C)C[C@@H]3C(C)=C4C(=CC[C@]3(C)[C@]1(C(=O)OC)[C@@H](OC(C)=O)C2=O)C(C)(C)OC(=O)[C@@H]4O,C26H32O8,,472.209717984,MZDDZQHJGYVFIB,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Penicillium purpurogenum,5310739.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium purpurogenum'],1,0,2.368135452270508 11244,5154,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11245,5154,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11246,5154,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11247,5154,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11248,5154,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11249,5154,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11250,5153,-1,,,,0.7521722,ISDB,MXCOJKLBLFWFNI-VBFYFJBNSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13-,14+,15+,18-,19-,20+/m0/s1",C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,8.008688688278198 11251,5151,846,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.6789211,ISDB,UPGREHAFOATQFI-GGURZLOHSA-N,"InChI=1S/C19H28O3/c1-11(2)19-9-6-13-12(16(19)22-19)10-14(20)15-17(13,3)7-5-8-18(15,4)21/h10-11,13,15-16,21H,5-9H2,1-4H3/t13-,15+,16-,17+,18-,19-/m0/s1",CC(C)[C@@]12CC[C@H]3C(=CC(=O)[C@@H]4[C@]3(C)CCC[C@]4(C)O)[C@@H]1O2,C19H28O3,,304.203844756,UPGREHAFOATQFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,2,8.715684413909912 11252,5150,439,Terpenoids,Diterpenoids,Abietane diterpenoids,0.51853603,ISDB,PTQFIYQNKVSVGM-QRVBRYPASA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,8.574144124984741 11253,5149,-1,,,,0.31060755,ISDB,,,,,,,SXMFINHKMAFMOV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2424302101135254 11254,5148,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5898328,ISDB,AWJCJQZBTQTOOQ-IROFHIHDSA-N,"InChI=1S/C30H52O5/c1-24(2)19-9-12-29(8)23(26(19,5)11-10-20(24)32)18(31)15-17-22-27(6,13-14-28(17,29)7)21(33)16-30(22,35)25(3,4)34/h17-23,31-35H,9-16H2,1-8H3/t17-,18-,19+,20+,21-,22-,23-,26+,27+,28-,29-,30+/m1/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3[C@H](O)C[C@@H]4[C@@H]5[C@@](C)(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)[C@H](O)C[C@@]5(O)C(C)(C)O,C30H52O5,,492.3814747639999,AWJCJQZBTQTOOQ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Salvia wagneriana,6083678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia wagneriana'],4,0,6.359331130981445 11255,5145,346,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.77581656,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,11.60326623916626 11256,5145,346,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.77581656,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.60326623916626 11257,5144,2164,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.4914875,ISDB,UNQFHHAPQIDJED-NXNVCVFFSA-N,"InChI=1S/C18H30N2O3/c1-4-5-6-8-13(2)11-14-12-23-17(15-9-7-10-19-15)20-16(14)18(21)22-3/h7,9-10,13-14,16-17,19-20H,4-6,8,11-12H2,1-3H3/t13-,14-,16-,17+/m0/s1",CCCCC[C@H](C)C[C@H]1CO[C@H](c2ccc[nH]2)N[C@@H]1C(=O)OC,C18H30N2O3,,322.22564282,UNQFHHAPQIDJED,Alkaloids,,,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],4,1,6.465950012207031 11258,5143,519,Polyketides,Aromatic polyketides,Catechols with side chains,0.43429184,ISDB,,,,,,,LGIKFBYSSJHCQR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7371673583984375 11259,5142,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.36989185,ISDB,DFNQUEFMFPLIEF-WXZMFDLCSA-N,"InChI=1S/C39H56N2O7/c1-23(41(8)9)34-33(48-26(4)44)21-39(7)31-16-15-30-29(19-28(31)17-18-38(34,39)6)20-32(47-25(3)43)35(37(30,5)22-46-24(2)42)40-36(45)27-13-11-10-12-14-27/h10-14,20,23,28,30-35H,15-19,21-22H2,1-9H3,(H,40,45)/t23-,28+,30+,31+,32+,33+,34-,35-,37-,38+,39-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]34C)CC2=C[C@@H](OC(C)=O)[C@@H]1NC(=O)c1ccccc1,C39H56N2O7,,664.408752132,DFNQUEFMFPLIEF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,10.979567408561707 11260,5141,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1potassium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11261,5141,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11262,5141,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11263,5141,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11264,5139,-1,,,,0.54151195,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.166047811508179 11265,5138,2622,Polyketides,Polycyclic aromatic polyketides,Ericamycins,0.20244962,ISDB,BHANGVCPMDNAFU-UGSOOPFHSA-N,"InChI=1S/C35H25N3O12/c1-12-9-17-24(34(47)37(12)11-20(40)38-10-18(35(48)49)36-33(46)13(38)2)30(44)22-15(27(17)41)7-8-16-23(22)31(45)25-26(32(16)50-3)29(43)21-14(28(25)42)5-4-6-19(21)39/h4-9,13,18,42-43H,10-11H2,1-3H3,(H,36,46)(H,48,49)/t13-,18-/m0/s1",COc1c2ccc3c(=O)c4cc(C)n(CC(=O)N5C[C@@H](C(=O)O)NC(=O)[C@@H]5C)c(=O)c4c(=O)c3c2c(=O)c2c(O)c3cccc(=O)c3c(O)c12,C35H25N3O12,,679.14382324,BHANGVCPMDNAFU,Polyketides,Polycyclic aromatic polyketides,Ericamycins,Micromonospora echinospora,299886.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Micromonosporales'],['Micromonosporaceae'],['Unknown'],['Micromonospora'],['Micromonospora echinospora'],0,3,2.3097984790802 11266,5136,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1isopropanol,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 11267,5136,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1isopropanol,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 11268,5136,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1isopropanol,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 11269,5136,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1isopropanol,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 11270,5136,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1isopropanol,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 11271,5136,-1,,,,0.0,MS1_match,DGPBJIHDSVVJQC-UQMGHXSLSA-N,"InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27+,28-,29+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@H]3CO)cc2OC)ccc1O,C31H38O11,pos_1_1proton1isopropanol,586.241412036,DGPBJIHDSVVJQC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 11272,5135,227,Fatty acids,Diterpenoids,Fatty alcohols,0.51627195,ISDB,VAGGDCACZPJMFS-OPOXAECZSA-N,"InChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+/t16-,17+,18+/m1/s1",CCCCCC[C@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCC(=O)OC,C19H36O5,,344.256274252,VAGGDCACZPJMFS,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Sambucus williamsii,589181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Sambucus'],['Sambucus williamsii'],4,1,6.565087795257568 11273,5135,227,Fatty acids,Diterpenoids,Fatty alcohols,0.51627195,ISDB,VAGGDCACZPJMFS-SQNIBIBYSA-N,"InChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/t16-,17+,18+/m1/s1",CCCCCC[C@H](O)[C@@H](O)C=C[C@H](O)CCCCCCC(=O)OC,C19H36O5,,344.256274252,VAGGDCACZPJMFS,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,1,6.565087795257568 11274,5132,1157,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.3385963,ISDB,,,,,,,YIEKDISIDZGOBI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.354385256767273 11275,5131,227,Fatty acids,Diterpenoids,Fatty alcohols,0.5307504,ISDB,JAKAZHIACKJNNB-RTBURBONSA-N,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3/t18-,19-/m1/s1",C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O,C19H34O4,,326.24570956799994,JAKAZHIACKJNNB,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,3,7.623001575469971 11276,5129,1157,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.0,MS1_match,ATWHGWYKSFRYBN-YIHSLZFLSA-N,"InChI=1S/C26H40O10/c1-23-6-3-7-24(2)19(23)21(36-22(24)31)33-11-25-8-13(4-5-15(23)25)26(32,10-25)12-34-20-18(30)17(29)16(28)14(9-27)35-20/h13-21,27-30,32H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,23+,24-,25+,26+/m1/s1",C[C@]12CCC[C@@]3(C)C(=O)O[C@H](OC[C@@]45C[C@@H](CC[C@H]41)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5)[C@@H]23,C26H40O10,pos_1_1proton1isopropanol,512.26214748,ATWHGWYKSFRYBN,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 11277,5129,1157,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.0,MS1_match,ATWHGWYKSFRYBN-YIHSLZFLSA-N,"InChI=1S/C26H40O10/c1-23-6-3-7-24(2)19(23)21(36-22(24)31)33-11-25-8-13(4-5-15(23)25)26(32,10-25)12-34-20-18(30)17(29)16(28)14(9-27)35-20/h13-21,27-30,32H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,23+,24-,25+,26+/m1/s1",C[C@]12CCC[C@@]3(C)C(=O)O[C@H](OC[C@@]45C[C@@H](CC[C@H]41)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5)[C@@H]23,C26H40O10,pos_1_1proton1isopropanol,512.26214748,ATWHGWYKSFRYBN,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 11278,5128,582,Terpenoids,Sesquiterpenoids,Carbocyclic fatty acids,0.7638431,ISDB,SRELFLQJDOTNLJ-UHFFFAOYSA-N,"InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)",O=C(O)CCCCCCCCCCC1C=CCC1,C16H28O2,,252.208930136,SRELFLQJDOTNLJ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Hydnocarpus pentandrus,6098850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Pangieae'],['Hydnocarpus'],['Hydnocarpus pentandrus'],4,3,8.555372476577759 11279,5128,582,Terpenoids,Sesquiterpenoids,Carbocyclic fatty acids,0.7638431,ISDB,SRELFLQJDOTNLJ-OAHLLOKOSA-N,"InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)/t15-/m1/s1",O=C(O)CCCCCCCCCC[C@@H]1C=CCC1,C16H28O2,,252.208930136,SRELFLQJDOTNLJ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Hydnocarpus kurzii,4730037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Pangieae'],['Hydnocarpus'],['Hydnocarpus kurzii'],4,3,8.555372476577759 11280,5128,582,Terpenoids,Sesquiterpenoids,Carbocyclic fatty acids,0.7638431,ISDB,SRELFLQJDOTNLJ-HNNXBMFYSA-N,"InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)/t15-/m0/s1",O=C(O)CCCCCCCCCC[C@H]1C=CCC1,C16H28O2,,252.208930136,SRELFLQJDOTNLJ,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Carpotroche brasiliensis,5763421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Achariaceae'],['Lindackerieae'],['Carpotroche'],['Carpotroche brasiliensis'],4,3,8.555372476577759 11281,5127,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.53550017,ISDB,BFWKKBSHTOEBHL-DZKIICNBSA-N,"InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,13-14H,1,5-10H2,2-4H3/t13-,14-,16-/m0/s1",C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC=O,C16H26O,,234.198365452,BFWKKBSHTOEBHL,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Alpinia calcarata,6320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia calcarata'],4,2,7.142000675201416 11282,5127,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.53550017,ISDB,BFWKKBSHTOEBHL-XWDNMSNZSA-N,"InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,13-14H,1,5-10H2,2-4H3/t13-,14?,16+/m0/s1",C=C1CCC2C(C)(C)CCC[C@]2(C)[C@H]1CC=O,C16H26O,,234.198365452,BFWKKBSHTOEBHL,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Hedychium spicatum,750971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Hedychium'],['Hedychium spicatum'],4,2,7.142000675201416 11283,5126,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.35367396,ISDB,HEHUQULYPRBTMQ-UHFFFAOYSA-N,InChI=1S/C16H24/c1-9(2)13-14(10(3)4)16(12(7)8)15(13)11(5)6/h1-8H3,CC(C)=C1C(=C(C)C)C(=C(C)C)C1=C(C)C,C16H24,,216.187800768,HEHUQULYPRBTMQ,,,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],4,0,5.414695858955383 11284,5125,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8000457,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.200182914733887 11285,5125,24,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.8000457,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,2,8.200182914733887 11286,5124,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6589027,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.135610818862915 11287,5124,1151,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6589027,ISDB,YJSBPHVIVFLSNV-UUILKARUSA-N,"InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3/b12-4+",C/C=C1\CCC(C)=C2C=CC(C)=C2C1,C14H18,,186.140850576,YJSBPHVIVFLSNV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.135610818862915 11288,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],4,3,8.484610319137573 11289,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea collina,245242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea collina'],4,3,8.484610319137573 11290,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.484610319137573 11291,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],4,3,8.484610319137573 11292,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia thuscula,297237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia thuscula'],4,3,8.484610319137573 11293,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia macrocephala,718587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia macrocephala'],4,3,8.484610319137573 11294,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.484610319137573 11295,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],4,3,8.484610319137573 11296,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhanterium epapposum,705707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rhanterium'],['Rhanterium epapposum'],4,3,8.484610319137573 11297,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],4,3,8.484610319137573 11298,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],4,3,8.484610319137573 11299,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leonurus sibiricus,789065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Leonurus'],['Leonurus sibiricus'],4,3,8.484610319137573 11300,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],4,3,8.484610319137573 11301,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea cuneatiloba,7596920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea cuneatiloba'],4,3,8.484610319137573 11302,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],4,3,8.484610319137573 11303,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia jacutica,821704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia jacutica'],4,3,8.484610319137573 11304,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Otanthus maritimus,195139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Otanthus'],['Otanthus maritimus'],4,3,8.484610319137573 11305,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],4,3,8.484610319137573 11306,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,3,8.484610319137573 11307,5123,592,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7461526,ISDB,GXGJIOMUZAGVEH-UHFFFAOYSA-N,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",CCc1ccc(C)c2ccc(C)c-2c1,C14H16,,184.125200512,GXGJIOMUZAGVEH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia argyi,915618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argyi'],4,3,8.484610319137573 11308,5122,35,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.68379444,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],4,3,8.235177755355835 11309,5119,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.31356448,ISDB,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.754257917404175 11310,5118,1946,Carbohydrates,Polyols,Amino cyclitols,0.56569666,ISDB,CPVYVUXPFHPEFB-LJKYVLQWSA-N,"InChI=1S/C13H28N4O4/c1-17-10-9(18)4-8(16)12(11(10)19)21-13-7(15)3-2-6(5-14)20-13/h6-13,17-19H,2-5,14-16H2,1H3/t6-,7+,8-,9+,10-,11+,12+,13+/m0/s1",CN[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@@H](N)C[C@H]1O,C13H28N4O4,,304.211055376,CPVYVUXPFHPEFB,Carbohydrates,Polyols,Amino cyclitols,Streptomyces tenjimariensis,222525.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces tenjimariensis'],0,3,3.762786626815796 11311,5117,-1,,,,0.0,MS1_match,VYNQRHYSCBDBNY-WRIOLOASSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)30-28(42-22(2)39)19-35(5)26-18-27(40)31-25(17-24(26)15-16-34(30,35)4)13-14-29(33(31,3)20-38)36-32(41)23-11-9-8-10-12-23/h8-13,15,20-21,26-31,40H,14,16-19H2,1-7H3,(H,36,41)/t21-,26+,27-,28+,29-,30-,31-,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)[C@]4(C)C=O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O5,pos_1_1proton,576.356322636,VYNQRHYSCBDBNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 11312,5117,-1,,,,0.0,MS1_match,JTYUIQIWSMPTDQ-RRWISKKNSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26(39)30-32(3)20-41-35(30,18-24(25)13-15-33(29,34)4)16-14-28(32)36-31(40)23-11-9-8-10-12-23/h8-14,16,21,25-30,39H,15,17-20H2,1-7H3,(H,36,40)/t21-,25+,26-,27+,28-,29-,30-,32+,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O5,pos_1_1proton,576.356322636,JTYUIQIWSMPTDQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,7.0 11313,5117,-1,,,,0.0,MS1_match,VCPJZJYGJJULKC-YWIVKCBASA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-14,16,21,25-30,40H,15,17-20H2,1-7H3,(H,36,39)/t21-,25+,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H]4OC[C@@]5(C)[C@@H](NC(=O)c6ccccc6)C=C[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton,576.356322636,VCPJZJYGJJULKC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,0,7.0 11314,5117,-1,,,,0.0,MS1_match,VCPJZJYGJJULKC-RRWISKKNSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-14,16,21,25-30,40H,15,17-20H2,1-7H3,(H,36,39)/t21-,25+,26-,27+,28-,29-,30-,32+,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)C=C[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton,576.356322636,VCPJZJYGJJULKC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 11315,5117,-1,,,,0.0,MS1_match,QNOJJJBDYRTJIJ-NHKZMATNSA-N,"InChI=1S/C35H48N2O5/c1-20(37(6)7)29-28(42-21(2)38)18-35(5)25-17-27-30-24(15-23(25)13-14-34(29,35)4)16-26(39)31(33(30,3)19-41-27)36-32(40)22-11-9-8-10-12-22/h8-13,16,20,25-31,39H,14-15,17-19H2,1-7H3,(H,36,40)/t20-,25+,26+,27-,28+,29-,30-,31-,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)[C@H](O)C=C(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton,576.356322636,QNOJJJBDYRTJIJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,7.0 11316,5115,424,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.79446083,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.67784333229065 11317,5114,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.65392214,ISDB,DWHCRAGHDDLXEM-UHFFFAOYSA-N,"InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3",CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C23H35NO,,341.27186474,DWHCRAGHDDLXEM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Tetradium ruticarpum,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,7.1156885623931885 11318,5114,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.65392214,ISDB,DWHCRAGHDDLXEM-UHFFFAOYSA-N,"InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3",CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C23H35NO,,341.27186474,DWHCRAGHDDLXEM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Euodia rutaecarpa,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,7.1156885623931885 11319,5112,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11320,5111,-1,,,,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11321,5111,-1,,,,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11322,5111,-1,,,,0.0,MS1_match,FQCUWQFKTUBVLA-PGBLWRDZSA-N,"InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O13,pos_1_1proton1ethylamine,696.2781914679999,FQCUWQFKTUBVLA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11323,5110,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ammonium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11324,5110,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ammonium,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11325,5110,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ammonium,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11326,5110,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1proton1ammonium,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11327,5109,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.42973056,ISDB,NYZKFMALHZMJAX-LYKGIQKJSA-N,"InChI=1S/C31H52N2O2/c1-10-20(2)27(34)32-26-15-18-31(35)19-22-13-16-29(6)23(21(3)33(8)9)14-17-30(29,7)24(22)11-12-25(31)28(26,4)5/h10,13,21,23-26,35H,11-12,14-19H2,1-9H3,(H,32,34)/b20-10+/t21-,23+,24+,25-,26-,29+,30-,31-/m0/s1",C/C=C(\C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C31H52N2O2,,484.402878904,NYZKFMALHZMJAX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.2189222574234 11328,5108,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_2MNa,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11329,5108,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2MNa,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11330,5108,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2MNa,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11331,5108,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_2MNa,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11332,5107,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,FTFZXPBVBBJTHV-OGJJZOIMSA-N,"InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C19H20O9,pos_1_1proton,392.11073222,FTFZXPBVBBJTHV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,3,7.5 11333,5106,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.2060494,ISDB,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,11.324197590351105 11334,5105,-1,,,,0.36175293,ISDB,BJLMUUKAICQBIY-UHFFFAOYSA-N,"InChI=1S/C25H37NO2/c1-2-3-12-19-24(27)20-15-9-7-5-4-6-8-10-16-21-25(28)26-22-23-17-13-11-14-18-23/h7,9,11,13-15,17-18,20H,2-6,8,10,12,16,19,21-22H2,1H3,(H,26,28)",CCCCCC(=O)C=CC=CCCCCCCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,BJLMUUKAICQBIY,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.447011709213257 11335,5104,-1,,,,0.0,MS1_match,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,pos_1_1proton,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 11336,5102,25,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4319403,ISDB,SNUHZNCSBAQVJV-JIDYTCFASA-N,"InChI=1S/C18H30O2/c1-13(19)7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)20/h7-8,14-15,20H,6,9-12H2,1-5H3/b8-7+/t14-,15+,17-,18+/m0/s1",CC(=O)/C=C/[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C18H30O2,,278.2245802,SNUHZNCSBAQVJV,Terpenoids,Diterpenoids,Labdane diterpenoids,Lindheimera texana,464940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Lindheimera'],['Lindheimera texana'],4,3,7.227761149406433 11337,5101,-1,,,,0.81721425,ISDB,LDQSHVHRBJJNDT-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-2-5-8(4-1)9-6-3-7-10-9/h3-4,6-7H,1-2,5H2",C1=C(c2ccco2)CCC1,C9H10O,,134.07316494,LDQSHVHRBJJNDT,,,,Illicium verum,318186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium verum'],4,0,7.268857002258301 11338,5100,-1,,,,0.45155802,ISDB,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,6.8062320947647095 11339,5097,155,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.49056473,ISDB,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.46225893497467 11340,5096,1438,,,,0.5304378,ISDB,HRRAJKJZRKUZHV-FCIHOMQFSA-N,"InChI=1S/C29H51N5O7/c1-8-10-11-12-13-20-15-23(35)30-16-24(36)34-25(18(5)6)28(39)33-22(14-17(3)4)27(38)31-19(7)26(37)32-21(9-2)29(40)41-20/h17-22,25H,8-16H2,1-7H3,(H,30,35)(H,31,38)(H,32,37)(H,33,39)(H,34,36)/t19-,20?,21-,22+,25-/m0/s1",CCCCCCC1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC)C(=O)O1,C29H51N5O7,,581.378848972,HRRAJKJZRKUZHV,,,,Isaria,88826.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Isaria'],['Unknown'],1,0,3.121751308441162 11341,5095,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.48126432,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.925057291984558 11342,5094,-1,,,,0.81290585,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.251623392105103 11343,5093,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.40086904,ISDB,KPOWRRDYXUYBJR-UHFFFAOYSA-N,"InChI=1S/C41H55NO14/c1-20-28(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)18-30(52-23(4)44)40(10)32(20)36(54-25(6)46)41(50)19-29(51-22(3)43)21(2)31(39(41,8)9)35(53-24(5)45)37(40)55-26(7)47/h13-17,28-30,32-37,48,50H,1,18-19H2,2-12H3",C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C41H55NO14,,785.36225544,KPOWRRDYXUYBJR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,10.103476166725159 11344,5092,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,0,9.0 11345,5091,118,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.4487885,ISDB,UXIVDLDIDDQRTQ-URJBFMKKSA-N,"InChI=1S/C24H34O5/c1-13-22(5)12-15-21(4)10-9-16(25)20(2,3)14(21)8-11-23(15,6)24(13,19(28)29-7)18(27)17(22)26/h14-15,17,26H,1,8-12H2,2-7H3/t14-,15+,17+,21-,22-,23+,24+/m0/s1",C=C1[C@]2(C(=O)OC)C(=O)[C@@H](O)[C@@]1(C)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C,C24H34O5,,402.240624188,UXIVDLDIDDQRTQ,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],3,3,6.295153975486755 11346,5090,-1,,,,0.0,MS1_match,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3",COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,C16H12O6,pos_1_1proton,300.063388104,IHFBPDAQLQOCBX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 11347,5090,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 11348,5090,-1,,,,0.0,MS1_match,VJJZJBUCDWKPLC-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3",COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O,C16H12O6,pos_1_1proton,300.063388104,VJJZJBUCDWKPLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 11349,5089,2383,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.9473845,ISDB,IQULCXQCXFWUQH-JKDFXYPNSA-N,"InChI=1S/C17H22O2/c1-10-7-13-15-11-9-17(4,19-14(15)8-10)6-5-12(11)16(2,3)18-13/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12+,17-/m0/s1",Cc1cc2c3c(c1)O[C@@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2,C17H22O2,,258.161979944,IQULCXQCXFWUQH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rhododendron anthopogon,128305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogon'],3,2,7.7895379066467285 11350,5089,2383,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.9473845,ISDB,IQULCXQCXFWUQH-JKDFXYPNSA-N,"InChI=1S/C17H22O2/c1-10-7-13-15-11-9-17(4,19-14(15)8-10)6-5-12(11)16(2,3)18-13/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12+,17-/m0/s1",Cc1cc2c3c(c1)O[C@@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2,C17H22O2,,258.161979944,IQULCXQCXFWUQH,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Rhododendron anthopogonoides,5759940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron anthopogonoides'],3,2,7.7895379066467285 11351,5088,-1,,,,0.5131145,ISDB,DWHTYLMRWXUGJL-DJIMGWMZSA-N,"InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)/t14-,16-,17-/m1/s1",C[C@@]1(C(=O)O)CCC[C@]2(C)c3ccc(O)cc3CC[C@@H]12,C17H22O3,,274.156894564,DWHTYLMRWXUGJL,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,8.052458047866821 11352,5086,146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UGSOUBMAJZNSMP-NTJMZCLCSA-N,"InChI=1S/C33H48N2O3/c1-21(35(5)6)29-27(37)19-33(4)26-14-13-25-23(18-24(26)16-17-32(29,33)3)12-15-28(31(25,2)20-36)34-30(38)22-10-8-7-9-11-22/h7-11,16,18,21,25-29,36-37H,12-15,17,19-20H2,1-6H3,(H,34,38)/t21-,25-,26+,27-,28+,29+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@]4(C)CO)N(C)C,C33H48N2O3,pos_1_1proton,520.366493396,UGSOUBMAJZNSMP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11353,5085,922,Terpenoids,Diterpenoids,Abietane diterpenoids,0.47475135,ISDB,PORHOKHIMOFMMH-FUMNGEBKSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18+,19+,20-/m1/s1",CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O2,,302.2245802,PORHOKHIMOFMMH,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,9.39900541305542 11354,5084,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton1ethylamine,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 11355,5084,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton1ethylamine,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 11356,5083,615,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7730473,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.592189311981201 11357,5081,-1,,,,0.8197014,ISDB,KQUHZCNOJKJULS-OAHLLOKOSA-N,"InChI=1S/C20H22O3/c1-22-19-12-14-4-2-3-5-15-8-6-13-7-9-18(21)16(10-13)17(11-14)20(19)23-15/h7,9-12,15,21H,2-6,8H2,1H3/t15-/m1/s1",COc1cc2cc3c1O[C@H](CCCC2)CCc1ccc(O)c-3c1,C20H22O3,,310.156894564,KQUHZCNOJKJULS,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Morella arborea,6098688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella arborea'],3,0,6.278805494308472 11358,5080,1425,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,0.50536937,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,2,10.021477460861206 11359,5079,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KLIDFAOXPCGARX-IVYORAKTSA-N,"InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,21(40-15(3)32)10-20(36)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C30H42O13,pos_1_1sodium,610.2625414039999,KLIDFAOXPCGARX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11360,5079,956,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KLIDFAOXPCGARX-IVYORAKTSA-N,"InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,21(40-15(3)32)10-20(36)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C30H42O13,pos_1_1sodium,610.2625414039999,KLIDFAOXPCGARX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11361,5078,2727,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KLIDFAOXPCGARX-IVYORAKTSA-N,"InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,21(40-15(3)32)10-20(36)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C30H42O13,pos_1_1proton1ammonium,610.2625414039999,KLIDFAOXPCGARX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11362,5078,2727,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KLIDFAOXPCGARX-IVYORAKTSA-N,"InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,21(40-15(3)32)10-20(36)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C30H42O13,pos_1_1proton1ammonium,610.2625414039999,KLIDFAOXPCGARX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11363,5077,2727,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,UZEBASPSBSCZFF-MRCYPWOESA-N,"InChI=1S/C28H38O11/c1-13-21(33)11-22(34)19(12-36-15(3)29)9-23(35)20-10-24(37-16(4)30)14(2)25(28(20,7)8)27(39-18(6)32)26(13)38-17(5)31/h9,20-21,23-24,27,33,35H,10-12H2,1-8H3/b19-9-,26-13+/t20-,21+,23-,24-,27+/m0/s1",CC(=O)OC/C1=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@H](O)CC1=O)C2(C)C,C28H38O11,pos_1_1proton,550.241412036,UZEBASPSBSCZFF,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11364,5077,2727,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,UZEBASPSBSCZFF-MRCYPWOESA-N,"InChI=1S/C28H38O11/c1-13-21(33)11-22(34)19(12-36-15(3)29)9-23(35)20-10-24(37-16(4)30)14(2)25(28(20,7)8)27(39-18(6)32)26(13)38-17(5)31/h9,20-21,23-24,27,33,35H,10-12H2,1-8H3/b19-9-,26-13+/t20-,21+,23-,24-,27+/m0/s1",CC(=O)OC/C1=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@H](O)CC1=O)C2(C)C,C28H38O11,pos_1_1proton,550.241412036,UZEBASPSBSCZFF,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,3,7.5 11365,5076,2727,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VQXRLQKQCXVKGB-DOAHOXRCSA-N,"InChI=1S/C26H34O9/c1-12-18(30)9-17-20(33-13(2)27)8-16-11-26(7,21(10-19(16)31)34-14(3)28)24(32)23(35-15(4)29)22(12)25(17,5)6/h8,17,19-21,23,31H,9-11H2,1-7H3/b16-8+/t17-,19-,20-,21-,23-,26-/m1/s1",CC(=O)O[C@H]1C(=O)[C@]2(C)C/C(=C\[C@@H](OC(C)=O)[C@H]3CC(=O)C(C)=C1C3(C)C)[C@H](O)C[C@H]2OC(C)=O,C26H34O9,pos_1_1proton,490.220282668,VQXRLQKQCXVKGB,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,3,7.5 11366,5076,2727,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VQXRLQKQCXVKGB-DOAHOXRCSA-N,"InChI=1S/C26H34O9/c1-12-18(30)9-17-20(33-13(2)27)8-16-11-26(7,21(10-19(16)31)34-14(3)28)24(32)23(35-15(4)29)22(12)25(17,5)6/h8,17,19-21,23,31H,9-11H2,1-7H3/b16-8+/t17-,19-,20-,21-,23-,26-/m1/s1",CC(=O)O[C@H]1C(=O)[C@]2(C)C/C(=C\[C@@H](OC(C)=O)[C@H]3CC(=O)C(C)=C1C3(C)C)[C@H](O)C[C@H]2OC(C)=O,C26H34O9,pos_1_1proton,490.220282668,VQXRLQKQCXVKGB,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11367,5075,718,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5488369,ISDB,QMSWKASVXHXIKB-JUNANHINSA-N,"InChI=1S/C20H28O5/c1-18(2,25)13-8-11-9-15(22)16-19(3,12(11)10-14(13)21)6-5-7-20(16,4)17(23)24/h8-9,12,15-16,22,25H,5-7,10H2,1-4H3,(H,23,24)/t12-,15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=C[C@H](O)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O5,,348.1936739959999,QMSWKASVXHXIKB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.695347547531128 11368,5074,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XGQJTMGCTWAMED-UEDUNPOGSA-N,"InChI=1S/C35H44O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,19,26,28-32,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28-,29+,30-,31+,32+,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O10,pos_1_1proton1ethylamine,624.293447608,XGQJTMGCTWAMED,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11369,5073,-1,,,,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11370,5073,-1,,,,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11371,5073,-1,,,,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11372,5073,-1,,,,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11373,5071,-1,,,,0.57130617,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,9.285224676132202 11374,5070,249,Terpenoids,Steroids,Cardenolides,0.41427824,ISDB,GFPPTQYNSHRMQH-IMVRBGBTSA-N,"InChI=1S/C24H34O6/c1-21-16(14-9-20(26)29-12-14)5-6-24(21,27)17-4-3-15-11-23(28-2)8-7-22(15,13-30-23)18(17)10-19(21)25/h9,15-19,25,27H,3-8,10-13H2,1-2H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-/m0/s1",CO[C@@]12CC[C@@]3(CO1)[C@@H](CC[C@@H]1[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]13O)C2,C24H34O6,,418.2355388079999,GFPPTQYNSHRMQH,Terpenoids,Steroids,Cardenolides,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],3,3,6.157112956047058 11375,5068,-1,,,,0.0,MS1_match,KLIDFAOXPCGARX-IVYORAKTSA-N,"InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,21(40-15(3)32)10-20(36)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C30H42O13,pos_1_1proton1ethylamine,610.2625414039999,KLIDFAOXPCGARX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11376,5068,-1,,,,0.0,MS1_match,KLIDFAOXPCGARX-IVYORAKTSA-N,"InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,21(40-15(3)32)10-20(36)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C30H42O13,pos_1_1proton1ethylamine,610.2625414039999,KLIDFAOXPCGARX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11377,5066,2108,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],6,3,7.5 11378,5066,2108,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],6,3,7.5 11379,5066,2108,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda serratifolia,717971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda serratifolia'],6,3,7.5 11380,5065,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BRGSDABMUAIXHJ-JIXSKCAHSA-N,"InChI=1S/C33H52N2O4/c1-10-20(2)30(38)34-28-14-11-23-17-24-15-16-32(6)29(21(3)35(8)9)27(39-22(4)37)18-33(32,7)26(24)13-12-25(23)31(28,5)19-36/h10,15,17,21,25-29,36H,11-14,16,18-19H2,1-9H3,(H,34,38)/b20-10+/t21-,25+,26+,27+,28-,29-,31+,32+,33-/m0/s1",C/C=C(\C)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@@]1(C)CO,C33H52N2O4,pos_1_1proton1methanol,540.392708144,BRGSDABMUAIXHJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11381,5064,2902,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7820995,ISDB,HHIZPGUSWOTUAE-AWEZNQCLSA-N,"InChI=1S/C22H20O7/c1-10(2)14-8-12-15(28-14)9-17-18(19(12)23)20(24)21(25)22(29-17)11-5-6-13(26-3)16(7-11)27-4/h5-7,9,14,23,25H,1,8H2,2-4H3/t14-/m0/s1",C=C(C)[C@@H]1Cc2c(cc3oc(-c4ccc(OC)c(OC)c4)c(O)c(=O)c3c2O)O1,C22H20O7,,396.12090298,HHIZPGUSWOTUAE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vellozia,147788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Unknown'],3,3,7.6283979415893555 11382,5062,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.42070925,ISDB,,,,,,,LWXKAVPXEDNHLL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6828370094299316 11383,5061,-1,,,,0.66600037,ISDB,KWLFGLJLUXQRAT-IYVPYFHTSA-N,"InChI=1S/C17H22O4/c1-5-20-17-8-12-6-7-14(18)11(3)16(12,4)9-13(17)10(2)15(19)21-17/h6-7,11-12H,5,8-9H2,1-4H3/t11-,12-,16+,17+/m0/s1",CCO[C@@]12C[C@@H]3C=CC(=O)[C@H](C)[C@@]3(C)CC1=C(C)C(=O)O2,C17H22O4,,290.151809184,KWLFGLJLUXQRAT,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio nemorensis,742737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio nemorensis'],3,0,5.66400146484375 11384,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Schistostephium heptalobum,7596806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Schistostephium'],['Schistostephium heptalobum'],3,3,7.825927734375 11385,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Schistostephium crataegifolium,532248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Schistostephium'],['Schistostephium crataegifolium'],3,3,7.825927734375 11386,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Microliabum candidum,5739137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Liabeae'],['Microliabum'],['Microliabum candidum'],3,3,7.825927734375 11387,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum polycephalum,377239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum polycephalum'],3,3,7.825927734375 11388,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-NUWIJMFHSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13-,14-/m0/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum,1019571.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Unknown'],3,3,7.825927734375 11389,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-NUWIJMFHSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13-,14-/m0/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetopsis mucronata,532232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetopsis'],['Tanacetopsis mucronata'],3,3,7.825927734375 11390,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum ulutavicum,7596158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum ulutavicum'],3,3,7.825927734375 11391,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonospermum fruticosum,593030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Gonospermum'],['Gonospermum fruticosum'],3,3,7.825927734375 11392,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-NUWIJMFHSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13-,14-/m0/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonospermum gomerae,593028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Gonospermum'],['Gonospermum gomerae'],3,3,7.825927734375 11393,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-NUWIJMFHSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13-,14-/m0/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cota palaestina,112205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cota'],['Cota palaestina'],3,3,7.825927734375 11394,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ursinia abrotanifolia,7597280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia abrotanifolia'],3,3,7.825927734375 11395,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum chiliophyllum,616324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum chiliophyllum'],3,3,7.825927734375 11396,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum aureum,6055758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum aureum'],3,3,7.825927734375 11397,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum santolina,555662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum santolina'],3,3,7.825927734375 11398,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum praeteritum,3899232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum praeteritum'],3,3,7.825927734375 11399,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum densum,725991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum densum'],3,3,7.825927734375 11400,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-PMDFWAKSSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6+/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(\C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum cadmeum,3899212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum cadmeum'],3,3,7.825927734375 11401,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum argenteum,322083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum argenteum'],3,3,7.825927734375 11402,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum vulgare,602516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum vulgare'],3,3,7.825927734375 11403,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonospermum revolutum,371802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Lugoa'],['Lugoa revoluta'],3,3,7.825927734375 11404,5060,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.83148193,ISDB,VHFDUPDINCLGLT-DSJGJMTKSA-N,"InChI=1S/C15H18O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,12-14,17H,2-5,7H2,1H3/b8-6-/t12-,13+,14+/m1/s1",C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)/C=C(/C)CCC1=O,C15H18O4,,262.120509056,VHFDUPDINCLGLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonospermum elegans,322575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Gonospermum'],['Gonospermum canariense'],3,3,7.825927734375 11405,5059,2522,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.29297245,ISDB,YKGRPAXRFUOTAY-LLVKDONJSA-N,"InChI=1S/C15H16O3/c1-9-6-14(18-8-9)15(17)11(3)12-5-4-10(2)13(16)7-12/h4-8,11,16H,1-3H3/t11-/m1/s1",Cc1coc(C(=O)[C@H](C)c2ccc(C)c(O)c2)c1,C15H16O3,,244.109944372,YKGRPAXRFUOTAY,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,8.171889781951904 11406,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],5,0,7.4915032386779785 11407,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],5,0,7.4915032386779785 11408,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus canariensis,97777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus canariensis'],5,0,7.4915032386779785 11409,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],5,0,7.4915032386779785 11410,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,7.4915032386779785 11411,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus caribaea,4333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus caribaea'],5,0,7.4915032386779785 11412,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],5,0,7.4915032386779785 11413,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus lumholtzii,212480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lumholtzii'],5,0,7.4915032386779785 11414,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus muricata,636909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus muricata'],5,0,7.4915032386779785 11415,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus leiophylla,212477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus leiophylla'],5,0,7.4915032386779785 11416,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],5,0,7.4915032386779785 11417,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus coulteri,1075721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus coulteri'],5,0,7.4915032386779785 11418,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus rigida,636907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus rigida'],5,0,7.4915032386779785 11419,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus aristata,786782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus aristata'],5,0,7.4915032386779785 11420,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],5,0,7.4915032386779785 11421,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],5,0,7.4915032386779785 11422,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,0,7.4915032386779785 11423,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,0,7.4915032386779785 11424,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],5,0,7.4915032386779785 11425,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,0,7.4915032386779785 11426,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus densata,227575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densata'],5,0,7.4915032386779785 11427,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],5,0,7.4915032386779785 11428,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus echinata,212461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus echinata'],5,0,7.4915032386779785 11429,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montezumae,837875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus montezumae'],5,0,7.4915032386779785 11430,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus balfouriana,1044480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus balfouriana'],5,0,7.4915032386779785 11431,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,7.4915032386779785 11432,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,0,7.4915032386779785 11433,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],5,0,7.4915032386779785 11434,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],5,0,7.4915032386779785 11435,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus virginiana,263433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus virginiana'],5,0,7.4915032386779785 11436,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus clausa,217118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus clausa'],5,0,7.4915032386779785 11437,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinaceae,994067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Unknown'],['Unknown'],5,0,7.4915032386779785 11438,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus krempfii,568623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus krempfii'],5,0,7.4915032386779785 11439,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,0,7.4915032386779785 11440,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pungens,636901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pungens'],5,0,7.4915032386779785 11441,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montana,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,7.4915032386779785 11442,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,7.4915032386779785 11443,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],5,0,7.4915032386779785 11444,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,7.4915032386779785 11445,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus contorta var. latifolia,5233692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,7.4915032386779785 11446,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],5,0,7.4915032386779785 11447,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus attenuata,786792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus attenuata'],5,0,7.4915032386779785 11448,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus glabra,104516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus glabra'],5,0,7.4915032386779785 11449,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobiformis,262953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobiformis'],5,0,7.4915032386779785 11450,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ayacahuite,786788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ayacahuite'],5,0,7.4915032386779785 11451,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus occidentalis,635127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus occidentalis'],5,0,7.4915032386779785 11452,5058,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6228758,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,0,7.4915032386779785 11453,5057,-1,,,,0.69692975,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.787719011306763 11454,5055,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.4726121,ISDB,IZCOVOGPZWOJIB-PQLHSWSHSA-N,"InChI=1S/C37H52N2O6/c1-21(39(8)9)31-28(44-23(3)41)19-35(6)29-16-15-26-25(18-37(29)30(45-37)20-36(31,35)7)17-27(43-22(2)40)32(34(26,4)5)38-33(42)24-13-11-10-12-14-24/h10-14,17,21,26-32H,15-16,18-20H2,1-9H3,(H,38,42)/t21-,26+,27+,28+,29-,30-,31-,32-,35-,36+,37+/m0/s1",CC(=O)O[C@@H]1C=C2C[C@]34O[C@H]3C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]3(C)[C@@H]4CC[C@H]2C(C)(C)[C@H]1NC(=O)c1ccccc1,C37H52N2O6,,620.382537384,IZCOVOGPZWOJIB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.390448451042175 11455,5054,-1,,,,0.78298914,ISDB,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.131956577301025 11456,5053,475,Polyketides,Naphthalenes,Naphthoquinones,0.0,MS1_match,ITBVMLGZYFLEOG-UHFFFAOYSA-N,"InChI=1S/C21H12O6/c1-8-6-10-14(11(22)7-8)18(24)20-15(17(10)23)16-19(27-20)13-9(2)4-3-5-12(13)26-21(16)25/h3-7,22H,1-2H3",Cc1cc(O)c2c(c1)C(=O)c1c(oc3c1c(=O)oc1cccc(C)c13)C2=O,C21H12O6,pos_1_1proton1methanol,360.063388104,ITBVMLGZYFLEOG,Polyketides,Naphthalenes,Naphthoquinones,Diospyros crassiflora,945375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros crassiflora'],7,3,8.5 11457,5053,475,Polyketides,Naphthalenes,Naphthoquinones,0.0,MS1_match,ITBVMLGZYFLEOG-UHFFFAOYSA-N,"InChI=1S/C21H12O6/c1-8-6-10-14(11(22)7-8)18(24)20-15(17(10)23)16-19(27-20)13-9(2)4-3-5-12(13)26-21(16)25/h3-7,22H,1-2H3",Cc1cc(O)c2c(c1)C(=O)c1c(oc3c1c(=O)oc1cccc(C)c13)C2=O,C21H12O6,pos_1_1proton1methanol,360.063388104,ITBVMLGZYFLEOG,Polyketides,Naphthalenes,Naphthoquinones,Diospyros mcphersonii,945375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros crassiflora'],7,3,8.5 11458,5052,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_2MHNH3,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11459,5052,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2MHNH3,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11460,5052,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2MHNH3,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11461,5052,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_2MHNH3,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11462,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CKXBHBNBEFREKT-LTHGSNFJSA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26-,27+,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,pos_1_1proton,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11463,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ATFWAVIPCBNDCK-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)30(19)32(42-22(4)37)25-18-27(41-21(3)36)20(2)29(34(25,6)7)31(40)33(35)43-23(5)38/h9-15,25-27,30-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,ATFWAVIPCBNDCK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11464,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LDUCSLMPCQPGFK-UHFFFAOYSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(41-21(3)36)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(39)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CC(O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,LDUCSLMPCQPGFK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11465,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. mairei,388440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus mairei'],6,3,7.5 11466,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11467,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. chinensis,296254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus chinensis'],6,3,7.5 11468,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11469,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-FIZZLDPSSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25?,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11470,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. wallichiana,1043652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11471,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. mairei,388440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus mairei'],6,3,7.5 11472,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11473,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. chinensis,296254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus chinensis'],6,3,7.5 11474,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11475,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-FIZZLDPSSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25?,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879998,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11476,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NQINDQGQJLIYFL-PBRGCZQGSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,NQINDQGQJLIYFL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. wallichiana,1043652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11477,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKCFVSFRWFBJHA-GBCSHTAYSA-N,"InChI=1S/C35H44O9/c1-20-26-18-35(33(6,7)40)19-28(41-22(3)36)21(2)30(35)31(42-23(4)37)32(43-24(5)38)34(26,8)17-16-27(20)44-29(39)15-14-25-12-10-9-11-13-25/h9-15,26-28,31-32,40H,1,16-19H2,2-8H3/b15-14+/t26-,27+,28+,31-,32+,34-,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O,C35H44O9,pos_1_1proton1ethylamine,608.298532988,ZKCFVSFRWFBJHA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11478,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SOSLCGUOOOQMEN-HNCSRTHDSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,SOSLCGUOOOQMEN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11479,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SOSLCGUOOOQMEN-HNCSRTHDSA-N,"InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,SOSLCGUOOOQMEN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11480,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MNKBCBWUAFDXSP-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)30(19)31(42-22(4)37)25-18-27(41-21(3)36)20(2)29(34(25,6)7)32(33(35)40)43-23(5)38/h9-15,25-27,30-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.298532988,MNKBCBWUAFDXSP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11481,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CKXBHBNBEFREKT-KJFHCHQESA-N,"InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26?,27?,28-,29-,31-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](O)[C@H]12)C3(C)C,C37H51NO9,pos_1_1proton,653.3563822119999,CKXBHBNBEFREKT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11482,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMEWFKYIRSRYGK-KMEJJDELSA-N,"InChI=1S/C35H44O9/c1-19-26(39)18-25-31(41-21(3)36)30-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-35(30,8)33(43-23(5)38)32(42-22(4)37)29(19)34(25,6)7/h9-13,25,27,30-33H,2,14-18H2,1,3-8H3/t25-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](OC(=O)CCc2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,XMEWFKYIRSRYGK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11483,5051,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QWAIDSKVFUQONT-JVJUJCKXSA-N,"InChI=1S/C35H44O9/c1-19-26(39)16-17-35(8)30(19)31(41-21(3)36)25-18-27(44-28(40)15-14-24-12-10-9-11-13-24)20(2)29(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,30-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1",C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O9,pos_1_1proton1ethylamine,608.2985329879999,QWAIDSKVFUQONT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11484,5050,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.36358887,ISDB,RQCUMDRLAXJWLZ-UHFFFAOYSA-N,"InChI=1S/C32H54N6O7/c1-18(2)15-25(36-28(40)23(34)17-21-10-12-22(39)13-11-21)29(41)37-26(16-19(3)4)30(42)38-27(20(5)6)31(43)35-24(32(44)45)9-7-8-14-33/h10-13,18-20,23-27,39H,7-9,14-17,33-34H2,1-6H3,(H,35,43)(H,36,40)(H,37,41)(H,38,42)(H,44,45)",CC(C)CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C,C32H54N6O7,,634.4053980680001,RQCUMDRLAXJWLZ,Amino acids and Peptides,Oligopeptides,Linear peptides,Phytolacca americana,216619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Phytolaccaceae'],['Unknown'],['Phytolacca'],['Phytolacca americana'],4,0,5.454355478286743 11485,5049,-1,,,,0.43988967,ISDB,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,7.75955867767334 11486,5048,-1,,,,0.48880234,ISDB,KJENSRFCLYHWHZ-GFCZYIHWSA-N,"InChI=1S/C35H48N2O4/c1-22(37(6)7)30-27(41-23(2)38)20-34(5)26-13-14-28-32(3)21-40-35(28,19-25(26)15-17-33(30,34)4)18-16-29(32)36-31(39)24-11-9-8-10-12-24/h8-12,15-16,18,22,26-30H,13-14,17,19-21H2,1-7H3,(H,36,39)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O4,,560.361408016,KJENSRFCLYHWHZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,8.955209374427795 11487,5047,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6582916,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6331663131713867 11488,5046,3529,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ethylamine,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11489,5045,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11490,5045,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11491,5045,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11492,5045,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LNTSYHPESCVWKP-LROHLAKZSA-N,"InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28?,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)CC([C@@H](OC(C)=O)[C@H]12)C3(C)C,C39H48O12,pos_1_1proton1ammonium,708.314576976,LNTSYHPESCVWKP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,3,7.5 11493,5045,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MOYWWZOOLCCTFX-WXJTWOLQSA-N,"InChI=1S/C37H44O12/c1-19-26(48-29(43)16-15-24-13-11-10-12-14-24)18-28(44-20(2)38)35(8)30(19)31(45-21(3)39)25-17-27(42)36(9)37(49-36,34(25,6)7)33(47-23(5)41)32(35)46-22(4)40/h10-16,25-26,28,30-33H,1,17-18H2,2-9H3/b16-15+/t25-,26-,28-,30-,31+,32-,33-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C4(C)C,C37H44O12,pos_1_1proton1ethylamine,680.2832768479998,MOYWWZOOLCCTFX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11494,5044,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.36706874,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.96827495098114 11495,5043,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1isopropanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11496,5043,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1methanol,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11497,5043,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1isopropanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11498,5042,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.41520983,ISDB,OCTCQOBNUIMMMN-MGUQSTJXSA-N,"InChI=1S/C35H58O9/c1-30(2)14-19-18-8-9-22-32(5)12-11-23(37)31(3,4)21(32)10-13-33(22,6)34(18,7)15-24(38)35(19,28(42)27(30)41)17-43-29-26(40)25(39)20(16-36)44-29/h8,19-29,36-42H,9-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,25-,26-,27-,28-,29+,32-,33+,34+,35-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C35H58O9,,622.408083436,OCTCQOBNUIMMMN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,1,6.160839319229126 11499,5040,-1,,,,0.82031393,ISDB,PSGDYNNBBROEEW-MROQNXINSA-N,"InChI=1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11+,12+,13-/m1/s1",CCC[C@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1,C13H25N,,195.1986998,PSGDYNNBBROEEW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Mantella madagascariensis,84863.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Mantellidae'],['Unknown'],['Mantella'],['Mantella madagascariensis'],1,0,4.281255722045898 11500,5040,-1,,,,0.82031393,ISDB,PSGDYNNBBROEEW-MROQNXINSA-N,"InChI=1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11+,12+,13-/m1/s1",CCC[C@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1,C13H25N,,195.1986998,PSGDYNNBBROEEW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Oophaga granulifera,257531.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Oophaga'],['Oophaga granulifera'],1,0,4.281255722045898 11501,5040,-1,,,,0.82031393,ISDB,PSGDYNNBBROEEW-MROQNXINSA-N,"InChI=1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11+,12+,13-/m1/s1",CCC[C@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1,C13H25N,,195.1986998,PSGDYNNBBROEEW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Oophaga histrionica,316701.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Oophaga'],['Oophaga histrionica'],1,0,4.281255722045898 11502,5040,-1,,,,0.82031393,ISDB,PSGDYNNBBROEEW-MROQNXINSA-N,"InChI=1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11+,12+,13-/m1/s1",CCC[C@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1,C13H25N,,195.1986998,PSGDYNNBBROEEW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Dendrobates auratus,60803.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Dendrobates'],['Dendrobates auratus'],1,0,4.281255722045898 11503,5040,-1,,,,0.82031393,ISDB,PSGDYNNBBROEEW-MROQNXINSA-N,"InChI=1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11+,12+,13-/m1/s1",CCC[C@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1,C13H25N,,195.1986998,PSGDYNNBBROEEW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Oophaga pumilio,891119.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Oophaga'],['Oophaga pumilio'],1,0,4.281255722045898 11504,5039,-1,,,,0.0,MS1_match,XKVJDMFZIZPEDG-VKPXNQELSA-N,"InChI=1S/C39H56O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,23,26-29,31-32,40-41,45H,13-14,16-22H2,1-7H3,(H,43,44)/b15-10-/t23-,26-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C39H56O7,pos_1_minus1proton1calcium,636.402604132,XKVJDMFZIZPEDG,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 11505,5038,1157,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.24992174,ISDB,TXXJMAPWRZFGAZ-UHFFFAOYSA-N,"InChI=1S/C38H50O8/c1-22(2)10-12-25-19-36-21-37(17-16-33(5,6)20-35(37,9)44)46-30(36)28(45-31(42)24-11-13-26(39)27(40)18-24)29(41)38(32(36)43,34(25,7)8)15-14-23(3)4/h10-11,13-14,18,25,39-40,44H,12,15-17,19-21H2,1-9H3",CC(C)=CCC1CC23CC4(CCC(C)(C)CC4(C)O)OC2=C(OC(=O)c2ccc(O)c(O)c2)C(=O)C(CC=C(C)C)(C3=O)C1(C)C,C38H50O8,,634.35056856,TXXJMAPWRZFGAZ,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Garcinia paucinervis,6099823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia paucinervis'],4,3,6.49968695640564 11506,5036,227,Fatty acids,Diterpenoids,Fatty alcohols,0.35463133,ISDB,NZRUDJPSBIXCFY-GUDVDZBRSA-N,"InChI=1S/C21H40O6/c1-4-6-8-11-17(22)15-18(23)16-21(25)27-19(12-9-7-5-2)13-10-14-20(24)26-3/h17-19,22-23H,4-16H2,1-3H3/t17-,18-,19-/m1/s1",CCCCC[C@@H](O)C[C@@H](O)CC(=O)O[C@H](CCCCC)CCCC(=O)OC,C21H40O6,,388.282489,NZRUDJPSBIXCFY,Fatty acids,Fatty esters,Fatty acid estolides,Aureobasidium pullulans,61554.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Dothideales'],['Dothioraceae'],['Unknown'],['Aureobasidium'],['Aureobasidium pullulans'],1,1,2.9185253381729126 11507,5035,227,Fatty acids,Diterpenoids,Fatty alcohols,0.49194866,ISDB,BWISWMPEIXFANG-UHFFFAOYSA-N,"InChI=1S/C21H38O5/c1-2-3-4-5-6-8-11-14-19(24)15-12-9-7-10-13-16-21(25)26-20(17-22)18-23/h6,8,20,22-23H,2-5,7,9-18H2,1H3",CCCCCC=CCCC(=O)CCCCCCCC(=O)OC(CO)CO,C21H38O5,,370.271924316,BWISWMPEIXFANG,Fatty acids,Glycerolipids,Monoacylglycerols,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],4,1,6.46779465675354 11508,5034,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KHBOEHDNAZWJMH-ZGILUUTNSA-N,"InChI=1S/C25H43NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-20,26-28H,7-14H2,1-6H3/t15-,16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C25H43NO2,pos_1_1proton,389.329379616,KHBOEHDNAZWJMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 11509,5029,649,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.30177134,ISDB,VUHCEJPYCQSKEW-PBVIGIQOSA-N,"InChI=1S/C15H23NO4/c1-9-5-10(2)15(20)12(6-9)4-3-11(7-13(16)17)8-14(18)19/h4,9-11H,3,5-8H2,1-2H3,(H2,16,17)(H,18,19)/b12-4+/t9-,10-,11-/m0/s1",C[C@@H]1C/C(=C\C[C@@H](CC(N)=O)CC(=O)O)C(=O)[C@@H](C)C1,C15H23NO4,,281.162708216,VUHCEJPYCQSKEW,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.707085371017456 11510,5028,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.4662844,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.365137577056885 11511,5027,881,Terpenoids,Sesquiterpenoids,Cinnamoyl phenols,0.728025,ISDB,LMVGRKPOXLBIFQ-UHFFFAOYSA-N,"InChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3",Cc1cc2occ(C)c2cc2c(C)ccc1-2,C15H14O,,210.104465068,LMVGRKPOXLBIFQ,Terpenoids,Sesquiterpenoids,,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],3,2,6.912100076675415 11512,5026,835,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.71838105,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,3,7.373524188995361 11513,5026,835,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.71838105,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],3,3,7.373524188995361 11514,5025,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,LRHACJLAUKVIIH-KWWWDJPGSA-N,"InChI=1S/C31H50O5/c1-18(9-8-10-19(2)26(34)35)23-24(32)25(33)29(6)21-12-11-20-27(3,4)22(36-7)13-14-30(20)17-31(21,30)16-15-28(23,29)5/h10,18,20-25,32-33H,8-9,11-17H2,1-7H3,(H,34,35)/b19-10+/t18-,20+,21+,22-,23+,24-,25-,28-,29-,30-,31+/m1/s1",CO[C@@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@H](O)[C@@H](O)[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C31H50O5,pos_3_1proton2sodium,502.3658246999999,LRHACJLAUKVIIH,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 11515,5024,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.2813853,ISDB,OPAGPKVLDRPUHT-GGCQEPFQSA-N,"InChI=1S/C37H49NO10/c1-20-28(45-21(2)39)16-26-30(46-22(3)40)15-25-19-37(7,35(44)34(43)33(20)36(26,5)6)31(47-23(4)41)18-29(25)48-32(42)17-27(38(8)9)24-13-11-10-12-14-24/h10-15,26-31,34,43H,16-19H2,1-9H3/b25-15+/t26-,27+,28-,29-,30-,31-,34+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)C[C@H](c1ccccc1)N(C)C,C37H49NO10,,667.335646768,OPAGPKVLDRPUHT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,8.62554121017456 11516,5023,155,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FTHZYAMPYHOOTQ-RZLDTGGBSA-N,"InChI=1S/C33H50N2O3/c1-21(35(5)6)27-23(37)18-31(4)25-13-12-24-29(2,20-36)26(34-28(38)22-10-8-7-9-11-22)14-15-32(24)19-33(25,32)17-16-30(27,31)3/h7-11,21,23-27,36-37H,12-20H2,1-6H3,(H,34,38)/t21-,23+,24-,25-,26-,27-,29+,30+,31-,32+,33-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C33H50N2O3,pos_1_1proton1methanol,522.38214346,FTHZYAMPYHOOTQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11517,5022,778,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5630923,ISDB,LJSWNKCFSXCFOR-KDVCKOBUSA-N,"InChI=1S/C27H41NO3/c1-15-11-23-24(28-14-15)16(2)27(31-23)10-8-20-19-6-5-17-12-18(29)7-9-25(17,3)21(19)13-22(20)26(27,4)30/h5,13,15-16,18-21,23-24,28-30H,6-12,14H2,1-4H3/t15-,16+,18-,19-,20-,21-,23+,24-,25-,26+,27+/m0/s1",C[C@@H]1CN[C@H]2[C@@H](C)[C@@]3(CC[C@@H]4C(=C[C@H]5[C@H]4CC=C4C[C@@H](O)CC[C@@]45C)[C@@]3(C)O)O[C@@H]2C1,C27H41NO3,,427.308644172,LJSWNKCFSXCFOR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Veratrum nigrum,290488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum nigrum'],4,3,7.752369165420532 11518,5021,-1,,,,0.7589761,ISDB,ONICYSBMOZSVKS-DBZSEJJRSA-N,"InChI=1S/C19H28O4/c1-17-5-4-14-13(15(17)7-12(20)8-17)3-2-11-6-16(21)19(22)9-18(11,14)10-23-19/h11,13-16,21-22H,2-10H2,1H3/t11-,13+,14-,15-,16-,17+,18+,19-/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@]5(O)C[C@@]43CO5)[C@@H]1CC(=O)C2,C19H28O4,,320.19875937599994,ONICYSBMOZSVKS,Terpenoids,Steroids,Androstane steroids,Trichilia claussenii,5747815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia claussenii'],3,0,6.035904407501221 11519,5020,2183,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BGXQOXKJFCPHSX-NVOQNHNXSA-N,"InChI=1S/C40H54N2O4/c1-26(42(5)6)33-29(46-35(45)28-15-11-8-12-16-28)23-38(4)31-18-17-30-36(2,25-43)32(41-34(44)27-13-9-7-10-14-27)19-20-39(30)24-40(31,39)22-21-37(33,38)3/h7-16,26,29-33,43H,17-25H2,1-6H3,(H,41,44)/t26-,29+,30-,31-,32-,33-,36-,37+,38-,39+,40-/m0/s1",C[C@@H]([C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C40H54N2O4,pos_2_2proton,626.4083582080001,BGXQOXKJFCPHSX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 11520,5019,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KZNJMVNXYDZENT-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(42)16-15-25-13-11-10-12-14-25)18-29(46-22(4)39)36(9)31(19)32(47-23(5)40)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)33(43)34(36)48-24(6)41/h10-16,26-27,29,31-34,43-44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ethylamine,682.2989269119998,KZNJMVNXYDZENT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11521,5019,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HDCVJVBXAPXPOQ-NKJCUGKCSA-N,"InChI=1S/C37H46O12/c1-20-30(45-22(3)39)17-28-29(43)16-27(19-38)32(49-33(44)15-14-26-12-10-9-11-13-26)18-31(46-23(4)40)21(2)35(47-24(5)41)36(48-25(6)42)34(20)37(28,7)8/h9-16,28-32,36,38,43H,17-19H2,1-8H3/b15-14+,27-16+,35-21-/t28-,29-,30-,31-,32-,36+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,HDCVJVBXAPXPOQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11522,5019,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FIUCYFQSNWIGHE-SDRLVIIESA-N,"InChI=1S/C37H46O12/c1-20-29(42)18-32(49-33(44)15-14-26-12-10-9-11-13-26)27(19-45-22(3)38)16-30(43)28-17-31(46-23(4)39)21(2)34(37(28,7)8)36(48-25(6)41)35(20)47-24(5)40/h9-16,28-32,36,42-43H,17-19H2,1-8H3/b15-14+,27-16+,35-20-/t28-,29+,30+,31+,32+,36-/m1/s1",CC(=O)OC/C1=C\[C@H](O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,FIUCYFQSNWIGHE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11523,5019,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DBZFNHBVCLHAHY-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(43)16-15-25-13-11-10-12-14-25)18-29(42)36(9)31(19)32(46-22(4)39)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)34(48-24(6)41)33(36)47-23(5)40/h10-16,26-27,29,31-34,42,44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,DBZFNHBVCLHAHY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11524,5018,-1,,,,0.703346,ISDB,KTFHYOMAVCUFEY-UHFFFAOYSA-N,"InChI=1S/C19H26O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h3,6,12,14-15,17H,4-5,7-11H2,1-2H3",CC12CCCC1C1C(=O)C=C3C=CCCC3(C)C1CC2,C19H26O,,270.198365452,KTFHYOMAVCUFEY,Terpenoids,Steroids,Androstane steroids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],3,0,5.813384056091309 11525,5017,1774,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KBMFCFQKQSWIFH-XOYLVKIYSA-N,"InChI=1S/C33H36O11/c34-23(11-6-21-8-13-25(35)27(37)16-21)18-24(12-7-22-9-14-26(36)28(38)17-22)43-33-32(31(41)29(39)19-42-33)44-30(40)15-10-20-4-2-1-3-5-20/h1-5,8-10,13-17,24,29,31-33,35-39,41H,6-7,11-12,18-19H2/b15-10+/t24-,29+,31-,32+,33-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccccc1,C33H36O11,pos_1_1proton1ammonium,608.225761972,KBMFCFQKQSWIFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 11526,5016,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5623565,ISDB,YUVGUUFSLOQITK-HZJYTTRNSA-N,"InChI=1S/C24H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-20-24(26)22-18-15-16-19-23(22)25-21/h6-7,9-10,15-16,18-20H,2-5,8,11-14,17H2,1H3,(H,25,26)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCc1cc(=O)c2ccccc2[nH]1,C24H33NO,,351.25621467600007,YUVGUUFSLOQITK,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Tetradium ruticarpum,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,1,6.749425888061523 11527,5011,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.6233151,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.993260383605957 11528,5010,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11529,5010,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11530,5010,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11531,5010,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11532,5008,-1,,,,0.7936906,ISDB,VGPPZJJHLBHJHM-UHFFFAOYSA-N,"InChI=1S/C19H26O3/c1-10(2)15-13(20)8-14-16-11-9-19(5,21-14)7-6-12(11)18(3,4)22-17(15)16/h8,10-12,20H,6-7,9H2,1-5H3",CC(C)c1c(O)cc2c3c1OC(C)(C)C1CCC(C)(CC31)O2,C19H26O3,,302.188194692,VGPPZJJHLBHJHM,Polyketides,,,Hypericum roeperianum,905362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum roeperianum'],3,0,6.174762487411499 11533,5006,891,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.79392,ISDB,HCBBFMFEVRXQGI-SFJACZDSSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-15(8-17-15)10-4-6-14(3,16)12(10)11(9)13/h9-12,16H,4-8H2,1-3H3/t9-,10-,11-,12-,14+,15-/m0/s1",CC1(C)[C@@H]2[C@@H]3[C@H](CC[C@@]3(C)O)[C@]3(CC[C@@H]21)CO3,C15H24O2,,236.177630008,HCBBFMFEVRXQGI,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Neolitsea hiiranensis,5699234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea hiiranensis'],6,3,10.675679922103882 11534,5005,1655,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5530416,ISDB,DJDRIWQODSGIRC-OPSLWGRGSA-N,"InChI=1S/C29H48N2O/c1-19(30(6)7)23-14-16-29(5)25-11-10-24-21(17-22(25)13-15-28(23,29)4)9-12-26-27(24,3)18-32-20(2)31(26)8/h13,17,19-20,23-26H,9-12,14-16,18H2,1-8H3/t19-,20-,23+,24+,25+,26-,27-,28+,29-/m0/s1",C[C@@H]1OC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@]5(C)[C@@H]([C@H](C)N(C)C)CC[C@@]45C)C=C3CC[C@@H]2N1C,C29H48N2O,,440.376664156,DJDRIWQODSGIRC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.71216630935669 11535,5004,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.3522649,ISDB,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.909059643745422 11536,5003,3030,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XGQJTMGCTWAMED-UEDUNPOGSA-N,"InChI=1S/C35H44O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,19,26,28-32,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28-,29+,30-,31+,32+,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O10,pos_1_1proton1ethylamine,624.293447608,XGQJTMGCTWAMED,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11537,5002,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OCHDFFCQHATESH-OMVMMUDDSA-N,"InChI=1S/C33H42O9/c1-17-24(37)16-23-28(39-19(3)34)27-18(2)25(42-31(38)22-12-10-9-11-13-22)14-15-33(27,8)30(41-21(5)36)29(40-20(4)35)26(17)32(23,6)7/h9-13,23-25,27-30,37H,2,14-16H2,1,3-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H42O9,pos_1_1proton1acetonitrile,582.282882924,OCHDFFCQHATESH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11538,5002,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RVJHLRGBPGMFRC-OMVMMUDDSA-N,"InChI=1S/C33H42O9/c1-17-24(37)14-15-33(8)27(17)28(39-19(3)34)23-16-25(42-31(38)22-12-10-9-11-13-22)18(2)26(32(23,6)7)29(40-20(4)35)30(33)41-21(5)36/h9-13,23-25,27-30,37H,1,14-16H2,2-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)c4ccccc4)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H42O9,pos_1_1proton1acetonitrile,582.282882924,RVJHLRGBPGMFRC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11539,5002,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,UPWPZXQNFGMDHD-VABNOWBQSA-N,"InChI=1S/C33H42O9/c1-18-24(40-19(2)34)15-23-26(41-20(3)35)14-22-17-33(6,31(39)30(38)29(18)32(23,4)5)27(36)16-25(22)42-28(37)13-12-21-10-8-7-9-11-21/h7-13,22-27,30,36,38H,14-17H2,1-6H3/b13-12+/t22-,23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)C[C@H]3C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)/C=C/c1ccccc1,C33H42O9,pos_1_1proton1acetonitrile,582.282882924,UPWPZXQNFGMDHD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11540,5002,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZNDNIKJPCFPZJG-OMQSHQQQSA-N,"InChI=1S/C33H42O9/c1-18-24(41-25(36)14-13-22-11-9-8-10-12-22)15-16-31(7)26(18)27(39-20(3)34)23-17-32(37)19(2)33(38,30(23,5)6)29(28(31)42-32)40-21(4)35/h8-14,19,23-24,26-29,37-38H,1,15-17H2,2-7H3/b14-13+/t19-,23+,24+,26+,27-,28+,29+,31-,32+,33+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@H]3O[C@@]4(O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C(C)(C)[C@@](O)([C@H]3OC(C)=O)[C@@H]4C,C33H42O9,pos_1_1proton1acetonitrile,582.282882924,ZNDNIKJPCFPZJG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11541,4997,1430,,,,0.31846207,ISDB,,,,,,,XFDAIKVOVRZGQW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.273848295211792 11542,4995,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 11543,4994,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28541225,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,10.641649007797241 11544,4994,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28541225,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.641649007797241 11545,4994,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28541225,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.641649007797241 11546,4994,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28541225,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,3,10.641649007797241 11547,4994,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28541225,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.641649007797241 11548,4993,-1,,,,0.0,MS1_match,WEMFCNJAKPAGGS-GUYCJALGSA-N,"InChI=1S/C17H14O8/c1-23-16(21)17(22)13(20)6-7-24-15-14(17)11(19)8-12(25-15)9-2-4-10(18)5-3-9/h2-8,13,18,20,22H,1H3/t13-,17-/m0/s1",COC(=O)[C@@]1(O)c2c(oc(-c3ccc(O)cc3)cc2=O)OC=C[C@@H]1O,C17H14O8,pos_1_1proton,346.0688674079999,WEMFCNJAKPAGGS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 11549,4991,675,Terpenoids,Monoterpenoids,Megastigmanes,0.5856829,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis trichanthera,755721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis trichanthera'],4,0,6.342731714248657 11550,4991,675,Terpenoids,Monoterpenoids,Megastigmanes,0.5856829,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis angustifolia,6125986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis angustifolia'],4,0,6.342731714248657 11551,4990,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11552,4990,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11553,4990,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11554,4990,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11555,4990,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11556,4990,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 11557,4989,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.45622823,ISDB,DMWFVSJPHMUFEL-UHFFFAOYSA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C(CCC3(C)C(C(C)N(C)C)CCC23C)CC2=CC(O)C(NC(=O)c3ccccc3)C(C)(C)C21,C35H52N2O4,,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.324912905693054 11558,4988,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_2MNa,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11559,4988,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2MNa,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11560,4988,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2MNa,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11561,4988,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_2MNa,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11562,4987,2902,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7747249,ISDB,HHIZPGUSWOTUAE-AWEZNQCLSA-N,"InChI=1S/C22H20O7/c1-10(2)14-8-12-15(28-14)9-17-18(19(12)23)20(24)21(25)22(29-17)11-5-6-13(26-3)16(7-11)27-4/h5-7,9,14,23,25H,1,8H2,2-4H3/t14-/m0/s1",C=C(C)[C@@H]1Cc2c(cc3oc(-c4ccc(OC)c(OC)c4)c(O)c(=O)c3c2O)O1,C22H20O7,,396.12090298,HHIZPGUSWOTUAE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vellozia,147788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Unknown'],3,3,7.598899602890015 11563,4985,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,pos_1_1proton1methanol,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 11564,4984,635,Terpenoids,Diterpenoids,Icetexane diterpenoids,0.22343643,ISDB,FITFAFMCWGCVDQ-LJQANCHMSA-N,"InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m1/s1",O[C@H](CCCCc1ccccc1)CCc1ccccc1,C19H24O,,268.182715388,FITFAFMCWGCVDQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,0,6.893745720386505 11565,4983,-1,,,,0.32848725,ISDB,POEUPUDPIRTZJS-WDJPJFJCSA-N,"InChI=1S/C24H34O5/c1-22(2,28)17-7-8-18-16(14-17)6-9-19-23(3,12-5-13-24(18,19)4)15-29-21(27)11-10-20(25)26/h7-8,14,19,28H,5-6,9-13,15H2,1-4H3,(H,25,26)/t19-,23-,24+/m0/s1",CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@]21C,C24H34O5,,402.240624188,POEUPUDPIRTZJS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,7.31394898891449 11566,4982,1740,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ammonium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11567,4978,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.43560195,ISDB,AQILVQJBVWGDOL-FKANQGBASA-N,"InChI=1S/C21H22O5/c1-11-12(2)21(22)15-9-18(24-4)17(23-3)8-14(15)20(11)13-5-6-16-19(7-13)26-10-25-16/h5-9,11-12,20H,10H2,1-4H3/t11-,12-,20-/m1/s1",COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2=O,C21H22O5,,354.146723804,AQILVQJBVWGDOL,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Virola sebifera,206492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola sebifera'],3,3,6.24240779876709 11568,4978,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.43560195,ISDB,AQILVQJBVWGDOL-XAAFQQQXSA-N,"InChI=1S/C21H22O5/c1-11-12(2)21(22)15-9-18(24-4)17(23-3)8-14(15)20(11)13-5-6-16-19(7-13)26-10-25-16/h5-9,11-12,20H,10H2,1-4H3/t11-,12+,20-/m1/s1",COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)C2=O,C21H22O5,,354.1467238039999,AQILVQJBVWGDOL,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Aristolochia holostylis,377016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia holostylis'],3,3,6.24240779876709 11569,4978,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.43560195,ISDB,AQILVQJBVWGDOL-JOOBJXAISA-N,"InChI=1S/C21H22O5/c1-11-12(2)21(22)15-9-18(24-4)17(23-3)8-14(15)20(11)13-5-6-16-19(7-13)26-10-25-16/h5-9,11-12,20H,10H2,1-4H3/t11-,12-,20+/m0/s1",COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@@H](C)[C@H](C)C2=O,C21H22O5,,354.1467238039999,AQILVQJBVWGDOL,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Virola elongata,3869063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola elongata'],3,3,6.24240779876709 11570,4977,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.72475797,ISDB,WRSHLXQWVVZAJI-UHFFFAOYSA-N,"InChI=1S/C20H20O5/c1-11-7-13-3-5-16-19(25-10-23-16)18(13)20(21,12(11)2)14-4-6-15-17(8-14)24-9-22-15/h3-6,8,11-12,21H,7,9-10H2,1-2H3",CC1Cc2ccc3c(c2C(O)(c2ccc4c(c2)OCO4)C1C)OCO3,C20H20O5,,340.13107374,WRSHLXQWVVZAJI,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Virola sebifera,206492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola sebifera'],3,3,7.3990318775177 11571,4977,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.72475797,ISDB,WRSHLXQWVVZAJI-UHFFFAOYSA-N,"InChI=1S/C20H20O5/c1-11-7-13-3-5-16-19(25-10-23-16)18(13)20(21,12(11)2)14-4-6-15-17(8-14)24-9-22-15/h3-6,8,11-12,21H,7,9-10H2,1-2H3",CC1Cc2ccc3c(c2C(O)(c2ccc4c(c2)OCO4)C1C)OCO3,C20H20O5,,340.13107374,WRSHLXQWVVZAJI,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Staudtia kamerunensis,377618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Staudtia'],['Staudtia kamerunensis'],3,3,7.3990318775177 11572,4977,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.72475797,ISDB,WRSHLXQWVVZAJI-UHFFFAOYSA-N,"InChI=1S/C20H20O5/c1-11-7-13-3-5-16-19(25-10-23-16)18(13)20(21,12(11)2)14-4-6-15-17(8-14)24-9-22-15/h3-6,8,11-12,21H,7,9-10H2,1-2H3",CC1Cc2ccc3c(c2C(O)(c2ccc4c(c2)OCO4)C1C)OCO3,C20H20O5,,340.13107374,WRSHLXQWVVZAJI,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Otoba parvifolia,377620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Otoba'],['Otoba parvifolia'],3,3,7.3990318775177 11573,4976,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.7315852,ISDB,FVOBJRAIAZNIPF-LLVKDONJSA-N,"InChI=1S/C20H18O4/c1-11-5-14-7-18-19(24-10-23-18)8-15(14)20(12(11)2)13-3-4-16-17(6-13)22-9-21-16/h3-4,6-8,11H,5,9-10H2,1-2H3/t11-/m1/s1",CC1=C(c2ccc3c(c2)OCO3)c2cc3c(cc2C[C@H]1C)OCO3,C20H18O4,,322.120509056,FVOBJRAIAZNIPF,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Virola elongata,3869063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Virola'],['Virola elongata'],3,3,7.426340818405151 11574,4975,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.66791993,ISDB,ATTZUHNCOKMJMS-UHFFFAOYSA-N,"InChI=1S/C19H18O3/c1-10(2)13-9-11-5-7-14-12(16(11)18(22)17(13)21)6-8-15(20)19(14,3)4/h5-10H,1-4H3",CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)C=CC(=O)C3(C)C,C19H18O3,,294.125594436,ATTZUHNCOKMJMS,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia lanigera,3882826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia lanigera'],3,1,6.171679735183716 11575,4974,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.778457,ISDB,GQNKUWPECMIGDZ-UHFFFAOYSA-N,"InChI=1S/C19H16O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-8,11,15,20-21H,9-10H2",Oc1cc2cccc3c2c(c1O)C(c1ccccc1)CC3,C19H16O2,,276.115029752,GQNKUWPECMIGDZ,Shikimates and Phenylpropanoids,,,Pontederia elata,7586475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Pontederiaceae'],['Unknown'],['Pontederia'],['Pontederia elata'],3,0,6.11382794380188 11576,4973,-1,,,,0.7797388,ISDB,WMFIUAIMRLTGGU-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-8-13-6-15(19)9(2)11-4-5-12-10(3)16(20)7-14(8)18(12)17(11)13/h6-8,19-20H,4-5H2,1-3H3",Cc1c(O)cc2c3c1CCc1c(C)c(O)cc(c1-3)C2C,C18H18O2,,266.130679816,WMFIUAIMRLTGGU,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Juncus acutus,437972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus acutus'],3,0,6.118955135345459 11577,4972,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7913295,ISDB,PANMOWXOCQSBOT-UHFFFAOYSA-N,"InChI=1S/C18H16O/c1-4-14-11(2)5-6-13-7-8-15-12(3)17(19)10-9-16(15)18(13)14/h4-10,19H,1H2,2-3H3",C=Cc1c(C)ccc2ccc3c(C)c(O)ccc3c12,C18H16O,,248.120115132,PANMOWXOCQSBOT,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Juncus acutus,437972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus acutus'],3,0,6.165318012237549 11578,4971,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.55219465,ISDB,RCDLIZSJGIZQHG-RBZFPXEDSA-N,"InChI=1S/C20H20O3/c1-12-8-15-9-18-19(23-11-22-18)10-17(15)20(13(12)2)14-4-6-16(21-3)7-5-14/h4-10,13,20H,11H2,1-3H3/t13-,20-/m0/s1",COc1ccc([C@H]2c3cc4c(cc3C=C(C)[C@@H]2C)OCO4)cc1,C20H20O3,,308.1412445,RCDLIZSJGIZQHG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pycnanthus angolensis,206489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Pycnanthus'],['Pycnanthus angolensis'],4,3,7.708778619766235 11579,4970,710,Terpenoids,Diterpenoids,Abietane diterpenoids,0.3274906,ISDB,LBHNBCSSFWFWIR-OSTWSGHESA-N,"InChI=1S/C21H30O5/c1-13(2)20-9-10-21(26-25-20)14(12-20)15(22)11-16-18(3,17(23)24-5)7-6-8-19(16,21)4/h12-13,16H,6-11H2,1-5H3/t16-,18+,19-,20+,21-/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3,C21H30O5,,362.20932406,LBHNBCSSFWFWIR,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,7.8099623918533325 11580,4969,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11581,4968,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 11582,4968,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 11583,4965,-1,,,,0.60136765,ISDB,ISHVJVXYPLFKAL-ICSRJNTNSA-N,"InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-/m0/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C,C20H28O,,284.214015516,ISHVJVXYPLFKAL,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],6,0,8.405470609664917 11584,4964,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RIVHKUMNQRHVLQ-UHFFFAOYSA-N,"InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.3036183679998,RIVHKUMNQRHVLQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11585,4964,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RIVHKUMNQRHVLQ-UHFFFAOYSA-N,"InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.3036183679998,RIVHKUMNQRHVLQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11586,4964,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,PAIIMRPDBSFIET-JZULUBIOSA-N,"InChI=1S/C35H44O8/c1-19-26(28(39)15-14-24-12-10-9-11-13-24)18-30(40)35(8)27(19)16-25-17-29(41-21(3)36)20(2)31(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29-30,32-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26+,27-,29+,30+,32-,33+,35+/m1/s1",C=C1[C@@H](C(=O)/C=C/c2ccccc2)C[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.303618368,PAIIMRPDBSFIET,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11587,4964,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HYRLNINDGRHYHB-IFHKUCNCSA-N,"InChI=1S/C35H47NO8/c1-19-26(39)17-24-30(42-21(3)37)35-20(2)27(44-28(40)18-25(36(8)9)23-13-11-10-12-14-23)15-16-33(35,7)29(41)31(43-22(4)38)34(19,35)32(24,5)6/h10-14,19,24-25,27,29-31,41H,2,15-18H2,1,3-9H3/t19-,24+,25-,27+,29+,30-,31+,33+,34-,35-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H47NO8,pos_1_1proton,609.330167464,HYRLNINDGRHYHB,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11588,4963,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7937042,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],6,3,10.674816846847534 11589,4961,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.351912,ISDB,KPOWRRDYXUYBJR-UHFFFAOYSA-N,"InChI=1S/C41H55NO14/c1-20-28(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)18-30(52-23(4)44)40(10)32(20)36(54-25(6)46)41(50)19-29(51-22(3)43)21(2)31(39(41,8)9)35(53-24(5)45)37(40)55-26(7)47/h13-17,28-30,32-37,48,50H,1,18-19H2,2-12H3",C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C41H55NO14,,785.36225544,KPOWRRDYXUYBJR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.907647967338562 11590,4960,546,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.4114134,ISDB,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,10.14565360546112 11591,4959,865,Alkaloids,Triterpenoids,Steroidal alkaloids,0.791276,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.665103912353516 11592,4957,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Raukaua simplex,531157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Raukaua'],['Raukaua simplex'],6,0,6.0 11593,4957,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",C=C(C)[C@H]1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 11594,4957,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1",C=C1[C@@H]2CC[C@@H](C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Hydrocotyle sibthorpioides,2504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hydrocotyle'],['Hydrocotyle sibthorpioides'],6,0,6.0 11595,4957,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-DTWKUNHWSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1",C=C1[C@H]2CC[C@H](C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 11596,4957,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-RKDXNWHRSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1",CC1=CC[C@@H]2C[C@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Hydrocotyle sibthorpioides,2504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hydrocotyle'],['Hydrocotyle sibthorpioides'],6,0,6.0 11597,4957,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",CC1=CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 11598,4957,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Hydrocotyle sibthorpioides,2504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hydrocotyle'],['Hydrocotyle sibthorpioides'],6,0,6.0 11599,4957,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 11600,4957,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Schefflera heptaphylla,1090819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Schefflera'],['Schefflera heptaphylla'],6,0,6.0 11601,4956,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.31955254,ISDB,PQJOHGQAPUPRJS-KDPJYAIESA-N,"InChI=1S/C39H51NO13/c1-20-28(53-31(46)17-27(40(9)10)25-14-12-11-13-15-25)18-30(49-21(2)41)37(7)32(20)33(50-22(3)42)26-16-29(45)38(8)39(47,36(26,6)19-48-38)35(52-24(5)44)34(37)51-23(4)43/h11-15,26-28,30,32-35,47H,1,16-19H2,2-10H3/t26-,27+,28-,30-,32-,33+,34-,35-,36-,37+,38+,39-/m0/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C39H51NO13,,741.3360406919998,PQJOHGQAPUPRJS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,8.778210163116455 11602,4955,569,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80470926,ISDB,BZXULYMZYPRZOG-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O,C18H16O8,,360.0845174719999,BZXULYMZYPRZOG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,3,10.718837022781372 11603,4953,-1,,,,0.4008953,ISDB,LLHNYOVVRLGLTD-BSGXZWDKSA-N,"InChI=1S/C39H56O2/c1-34(2)20-21-36(5)22-24-38(7)30-17-15-28-29(37(30,6)23-25-39(38,8)31(36)26-34)16-18-32(35(28,3)4)41-33(40)19-14-27-12-10-9-11-13-27/h9-15,19,29-32H,16-18,20-26H2,1-8H3/b19-14+/t29-,30+,31-,32+,36-,37+,38-,39+/m1/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](OC(=O)/C=C/c6ccccc6)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C39H56O2,,556.428031032,LLHNYOVVRLGLTD,Terpenoids,Triterpenoids,Glutinane triterpenoids,Derris laxiflora,383462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris laxiflora'],4,0,5.603581190109253 11604,4952,-1,,,,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1sodium1acetonitrile,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 11605,4951,-1,,,,0.0,MS1_match,MYMGKIQXYXSRIJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,C17H14O7,pos_1_1proton,330.073952788,MYMGKIQXYXSRIJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 11606,4951,-1,,,,0.0,MS1_match,AOFQCVDYMNHCKD-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=O,C17H14O7,pos_1_1proton,330.073952788,AOFQCVDYMNHCKD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus crispa,791101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus alnobetula'],7,0,7.0 11607,4951,-1,,,,0.0,MS1_match,DDNPCXHBFYJXBJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3",COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O,C17H14O7,pos_1_1proton,330.073952788,DDNPCXHBFYJXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,0,7.0 11608,4951,-1,,,,0.0,MS1_match,DDNPCXHBFYJXBJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3",COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O,C17H14O7,pos_1_1proton,330.073952788,DDNPCXHBFYJXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],7,0,7.0 11609,4951,-1,,,,0.0,MS1_match,MSLBFGWANLXSOK-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,18,20-21H,1-2H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1,C17H14O7,pos_1_1proton,330.073952788,MSLBFGWANLXSOK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 11610,4951,-1,,,,0.0,MS1_match,MSLBFGWANLXSOK-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,18,20-21H,1-2H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1,C17H14O7,pos_1_1proton,330.073952788,MSLBFGWANLXSOK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],7,0,7.0 11611,4950,-1,,,,0.36178178,ISDB,VNZAXYQORLDPNX-FXVZGFPASA-N,"InChI=1S/C33H38O12/c1-16-21(41-17(2)34)14-31-24(16)33(39,28(38)45-29(31,5)6)30(7)22(42-18(3)35)13-23-32(15-40-23,44-19(4)36)25(30)26(31)43-27(37)20-11-9-8-10-12-20/h8-12,21-23,25-26,39H,13-15H2,1-7H3/t21-,22-,23+,25-,26-,30+,31-,32-,33+/m0/s1",CC(=O)O[C@H]1C[C@@]23C(=C1C)[C@@](O)(C(=O)OC2(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]2OC[C@@]2(OC(C)=O)[C@H]1[C@@H]3OC(=O)c1ccccc1,C33H38O12,,626.236326656,VNZAXYQORLDPNX,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,7.447127103805542 11612,4950,-1,,,,0.36178178,ISDB,VNZAXYQORLDPNX-FXVZGFPASA-N,"InChI=1S/C33H38O12/c1-16-21(41-17(2)34)14-31-24(16)33(39,28(38)45-29(31,5)6)30(7)22(42-18(3)35)13-23-32(15-40-23,44-19(4)36)25(30)26(31)43-27(37)20-11-9-8-10-12-20/h8-12,21-23,25-26,39H,13-15H2,1-7H3/t21-,22-,23+,25-,26-,30+,31-,32-,33+/m0/s1",CC(=O)O[C@H]1C[C@@]23C(=C1C)[C@@](O)(C(=O)OC2(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]2OC[C@@]2(OC(C)=O)[C@H]1[C@@H]3OC(=O)c1ccccc1,C33H38O12,,626.236326656,VNZAXYQORLDPNX,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,7.447127103805542 11613,4949,1622,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8502722,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,3,11.90108871459961 11614,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 11615,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 11616,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,3,9.5 11617,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 11618,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 11619,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 11620,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11621,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 11622,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 11623,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,9.5 11624,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,9.5 11625,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,9.5 11626,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,3,9.5 11627,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 11628,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,9.5 11629,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,9.5 11630,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 11631,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 11632,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 11633,4948,3096,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 11634,4947,2371,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.45127112,ISDB,SOEFILJAGJAINE-XEGUGMAKSA-N,"InChI=1S/C15H16O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7,10,13H,1,4,6H2,2-3H3/t10-,13-,15-/m0/s1",C=C1C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@]3(C)CC[C@@H]12,C15H16O3,,244.109944372,SOEFILJAGJAINE,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.305084466934204 11635,4946,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6642001,ISDB,WGJLLAVOYXFCTC-BMSXNQCFSA-N,"InChI=1S/C30H48N2O2/c1-19(2)8-13-28(33)34-27-17-26-23(25-12-11-24-20(3)32(7)18-30(24,25)27)10-9-21-16-22(31(5)6)14-15-29(21,26)4/h8-9,20,22-27H,10-18H2,1-7H3/t20-,22-,23-,24+,25-,26-,27+,29-,30+/m0/s1",CC(C)=CCC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3C[C@@H](N(C)C)CC[C@@]32C)[C@@H]2CC[C@@H]3[C@H](C)N(C)C[C@]312,C30H48N2O2,,468.371578776,WGJLLAVOYXFCTC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Funtumia elastica,280757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Funtumia'],['Funtumia elastica'],4,3,8.156800508499146 11636,4945,-1,,,,0.0,MS1_match,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,pos_1_1proton1methanol,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11637,4945,-1,,,,0.0,MS1_match,PHBLQXXYZFXKQX-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)27)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)26(5)6/h9,18,20-21H,1,7-8,10-15H2,2-6H3",C=C1C(N(C)C)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H37NO,pos_1_1proton1methanol,367.287514804,PHBLQXXYZFXKQX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11638,4945,-1,,,,0.0,MS1_match,PHBLQXXYZFXKQX-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)27)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)26(5)6/h9,18,20-21H,1,7-8,10-15H2,2-6H3",C=C1C(N(C)C)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H37NO,pos_1_1proton1methanol,367.287514804,PHBLQXXYZFXKQX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11639,4945,-1,,,,0.0,MS1_match,ZISLXYPNMCQAMV-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16(27)19-12-14-25(5)21-9-8-20-17(7-10-22(26-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h7,11-12,20-22,26H,8-10,13-15H2,1-6H3",CNC1CC=C2CC3=CCC4(C)C(C(C)=O)=CCC4(C)C3CCC2C1(C)C,C25H37NO,pos_1_1proton1methanol,367.287514804,ZISLXYPNMCQAMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11640,4945,-1,,,,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11641,4944,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.61228716,ISDB,UGSOUBMAJZNSMP-NTJMZCLCSA-N,"InChI=1S/C33H48N2O3/c1-21(35(5)6)29-27(37)19-33(4)26-14-13-25-23(18-24(26)16-17-32(29,33)3)12-15-28(31(25,2)20-36)34-30(38)22-10-8-7-9-11-22/h7-11,16,18,21,25-29,36-37H,12-15,17,19-20H2,1-6H3,(H,34,38)/t21-,25-,26+,27-,28+,29+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@]4(C)CO)N(C)C,C33H48N2O3,,520.366493396,UGSOUBMAJZNSMP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.949148654937744 11642,4942,2537,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FLBNRACKRBUYNP-UHFFFAOYSA-N,"InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3",CC(=O)OCC1=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C=Cc1ccccc1)C2(C)C,C41H50O14,pos_1_1proton1ammonium,766.32005628,FLBNRACKRBUYNP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11643,4942,2537,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FLBNRACKRBUYNP-AHLSXCLRSA-N,"InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3/b17-16+,31-18+,39-23-/t32-,33-,34-,35-,36-,40+/m0/s1",CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C41H50O14,pos_1_1proton1ammonium,766.32005628,FLBNRACKRBUYNP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11644,4941,330,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ONNIMFBTDSHYJD-SZNYQVOFSA-N,"InChI=1S/C33H45NO9/c1-17-23(42-18(2)35)14-21-22(36)13-20-16-33(5,30(40)28(38)26(17)32(21,3)4)25(37)15-24(20)43-31(41)29(39)27(34(6)7)19-11-9-8-10-12-19/h8-13,21-25,27-29,36-39H,14-16H2,1-7H3/b20-13+/t21-,22-,23-,24-,25-,27-,28+,29+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C33H45NO9,pos_1_minus1proton1magnesium,599.3094320199999,ONNIMFBTDSHYJD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11645,4941,330,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VGSYKDLPCMQJET-WQBLWOOHSA-N,"InChI=1S/C29H40O12/c1-13-20(34)9-18(11-37-14(2)30)27(7)22(13)23(39-15(3)31)19-10-21(35)28(8)29(36,26(19,6)12-38-28)25(41-17(5)33)24(27)40-16(4)32/h18-20,22-25,34,36H,1,9-12H2,2-8H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+/m1/s1",C=C1[C@@H](O)C[C@H](COC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C29H40O12,pos_1_1proton1acetonitrile,580.25197672,VGSYKDLPCMQJET,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11646,4940,330,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OCHDFFCQHATESH-OMVMMUDDSA-N,"InChI=1S/C33H42O9/c1-17-24(37)16-23-28(39-19(3)34)27-18(2)25(42-31(38)22-12-10-9-11-13-22)14-15-33(27,8)30(41-21(5)36)29(40-20(4)35)26(17)32(23,6)7/h9-13,23-25,27-30,37H,2,14-16H2,1,3-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H42O9,pos_1_minus1proton1magnesium,582.282882924,OCHDFFCQHATESH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11647,4940,330,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RVJHLRGBPGMFRC-OMVMMUDDSA-N,"InChI=1S/C33H42O9/c1-17-24(37)14-15-33(8)27(17)28(39-19(3)34)23-16-25(42-31(38)22-12-10-9-11-13-22)18(2)26(32(23,6)7)29(40-20(4)35)30(33)41-21(5)36/h9-13,23-25,27-30,37H,1,14-16H2,2-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)c4ccccc4)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H42O9,pos_1_minus1proton1magnesium,582.282882924,RVJHLRGBPGMFRC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11648,4940,330,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,UPWPZXQNFGMDHD-VABNOWBQSA-N,"InChI=1S/C33H42O9/c1-18-24(40-19(2)34)15-23-26(41-20(3)35)14-22-17-33(6,31(39)30(38)29(18)32(23,4)5)27(36)16-25(22)42-28(37)13-12-21-10-8-7-9-11-21/h7-13,22-27,30,36,38H,14-17H2,1-6H3/b13-12+/t22-,23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)C[C@H]3C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)/C=C/c1ccccc1,C33H42O9,pos_1_minus1proton1magnesium,582.282882924,UPWPZXQNFGMDHD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11649,4940,330,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZNDNIKJPCFPZJG-OMQSHQQQSA-N,"InChI=1S/C33H42O9/c1-18-24(41-25(36)14-13-22-11-9-8-10-12-22)15-16-31(7)26(18)27(39-20(3)34)23-17-32(37)19(2)33(38,30(23,5)6)29(28(31)42-32)40-21(4)35/h8-14,19,23-24,26-29,37-38H,1,15-17H2,2-7H3/b14-13+/t19-,23+,24+,26+,27-,28+,29+,31-,32+,33+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@H]3O[C@@]4(O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C(C)(C)[C@@](O)([C@H]3OC(C)=O)[C@@H]4C,C33H42O9,pos_1_minus1proton1magnesium,582.282882924,ZNDNIKJPCFPZJG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11650,4939,330,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OVMSOCFBDVBLFW-VHLOTGQHSA-N,"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,C31H38O11,pos_1_1proton,586.2414120359999,OVMSOCFBDVBLFW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11651,4939,330,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OVMSOCFBDVBLFW-VHLOTGQHSA-N,"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,C31H38O11,pos_1_1proton,586.2414120359999,OVMSOCFBDVBLFW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11652,4938,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.23564173,ISDB,BRRIQKRUEWKTLZ-ZIWQVPDVSA-N,"InChI=1S/C40H49N5O10/c1-24(2)18-19-55-31-16-12-29(13-17-31)21-33(40(53)54)45-37(50)26(4)42-38(51)32(20-28-10-14-30(46)15-11-28)44-35(48)23-41-36(49)25(3)43-39(52)34(47)22-27-8-6-5-7-9-27/h5-18,25-26,32-34,46-47H,19-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,52)(H,44,48)(H,45,50)(H,53,54)/t25-,26+,32+,33+,34-/m0/s1",CC(C)=CCOc1ccc(C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc2ccccc2)C(=O)O)cc1,C40H49N5O10,,759.347942768,BRRIQKRUEWKTLZ,Amino acids and Peptides,Oligopeptides,Linear peptides,Paecilomyces cinnamomeus,5310725.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Paecilomyces'],['Paecilomyces cinnamomeus'],1,0,1.9425669312477112 11653,4937,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VWSUJEGUHSFZDW-OCWOEGCQSA-N,"InChI=1S/C37H44O14/c1-19-26(51-29(43)14-13-24-11-9-8-10-12-24)16-28(48-21(3)39)36(18-46-20(2)38)30(19)31(49-22(4)40)25-15-27(42)35(7)37(45,34(25,6)17-47-35)32(44)33(36)50-23(5)41/h8-14,25-26,28,30-33,44-45H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O14,pos_1_1proton1ethylamine,712.2731060879998,VWSUJEGUHSFZDW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11654,4937,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MQEGHHBOQKLTGK-OCWOEGCQSA-N,"InChI=1S/C37H44O14/c1-19-26(51-29(44)14-13-24-11-9-8-10-12-24)16-28(47-20(2)39)36(17-38)30(19)31(48-21(3)40)25-15-27(43)35(7)37(45,34(25,6)18-46-35)33(50-23(5)42)32(36)49-22(4)41/h8-14,25-26,28,30-33,38,45H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O14,pos_1_1proton1ethylamine,712.273106088,MQEGHHBOQKLTGK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11655,4937,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DTSJBDQYCSEKEO-UHFFFAOYSA-N,"InChI=1S/C37H48O14/c1-17-22(41)15-37(35(5,6)46)25(17)30(51-33(45)21-11-9-8-10-12-21)32(48-20(4)40)36(7)14-13-23(18(2)26(36)31(37)47-19(3)39)49-34-29(44)28(43)27(42)24(16-38)50-34/h8-12,23-24,26-32,34,38,42-44,46H,2,13-16H2,1,3-7H3",C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(=O)CC3(C(C)(C)O)C(OC(C)=O)C12,C37H48O14,pos_1_1proton1acetonitrile,716.304406216,DTSJBDQYCSEKEO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11656,4937,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HRDZRYUEJYVACC-GJVCWSHMSA-N,"InChI=1S/C39H48O14/c1-20-27(48-21(2)40)18-39(46)35(52-25(6)44)33-37(9,34(51-24(5)43)32(50-23(4)42)31(20)36(39,7)8)28(49-22(3)41)17-29(38(33)19-47-38)53-30(45)16-15-26-13-11-10-12-14-26/h10-16,27-29,32-35,46H,17-19H2,1-9H3/b16-15+/t27-,28-,29-,32+,33-,34-,35-,37+,38+,39+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C39H48O14,pos_1_1proton1ammonium,740.304406216,HRDZRYUEJYVACC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11657,4936,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KZNJMVNXYDZENT-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(42)16-15-25-13-11-10-12-14-25)18-29(46-22(4)39)36(9)31(19)32(47-23(5)40)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)33(43)34(36)48-24(6)41/h10-16,26-27,29,31-34,43-44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ethylamine,682.2989269119998,KZNJMVNXYDZENT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11658,4936,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HDCVJVBXAPXPOQ-NKJCUGKCSA-N,"InChI=1S/C37H46O12/c1-20-30(45-22(3)39)17-28-29(43)16-27(19-38)32(49-33(44)15-14-26-12-10-9-11-13-26)18-31(46-23(4)40)21(2)35(47-24(5)41)36(48-25(6)42)34(20)37(28,7)8/h9-16,28-32,36,38,43H,17-19H2,1-8H3/b15-14+,27-16+,35-21-/t28-,29-,30-,31-,32-,36+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,HDCVJVBXAPXPOQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11659,4936,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FIUCYFQSNWIGHE-SDRLVIIESA-N,"InChI=1S/C37H46O12/c1-20-29(42)18-32(49-33(44)15-14-26-12-10-9-11-13-26)27(19-45-22(3)38)16-30(43)28-17-31(46-23(4)39)21(2)34(37(28,7)8)36(48-25(6)41)35(20)47-24(5)40/h9-16,28-32,36,42-43H,17-19H2,1-8H3/b15-14+,27-16+,35-20-/t28-,29+,30+,31+,32+,36-/m1/s1",CC(=O)OC/C1=C\[C@H](O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,FIUCYFQSNWIGHE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11660,4936,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DBZFNHBVCLHAHY-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(43)16-15-25-13-11-10-12-14-25)18-29(42)36(9)31(19)32(46-22(4)39)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)34(48-24(6)41)33(36)47-23(5)40/h10-16,26-27,29,31-34,42,44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,DBZFNHBVCLHAHY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11661,4935,2164,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.48966703,ISDB,UNQFHHAPQIDJED-NXNVCVFFSA-N,"InChI=1S/C18H30N2O3/c1-4-5-6-8-13(2)11-14-12-23-17(15-9-7-10-19-15)20-16(14)18(21)22-3/h7,9-10,13-14,16-17,19-20H,4-6,8,11-12H2,1-3H3/t13-,14-,16-,17+/m0/s1",CCCCC[C@H](C)C[C@H]1CO[C@H](c2ccc[nH]2)N[C@@H]1C(=O)OC,C18H30N2O3,,322.22564282,UNQFHHAPQIDJED,Alkaloids,,,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],4,1,6.458668112754822 11662,4934,675,Terpenoids,Monoterpenoids,Megastigmanes,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,2,9.0 11663,4934,675,Terpenoids,Monoterpenoids,Megastigmanes,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,2,9.0 11664,4933,-1,,,,0.64144236,ISDB,HWFYWIVOYBPLQU-VOTSOKGWSA-N,"InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h6-7,14-15,17-19H,3-5,8-13,16H2,1-2H3/b7-6+",CCCC/C=C/CCCCCCCc1cc(=O)c2ccccc2n1C,C23H33NO,,339.25621467600007,HWFYWIVOYBPLQU,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Euodia rutaecarpa,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,0,6.56576943397522 11665,4933,-1,,,,0.64144236,ISDB,HWFYWIVOYBPLQU-VOTSOKGWSA-N,"InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h6-7,14-15,17-19H,3-5,8-13,16H2,1-2H3/b7-6+",CCCC/C=C/CCCCCCCc1cc(=O)c2ccccc2n1C,C23H33NO,,339.25621467600007,HWFYWIVOYBPLQU,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Tetradium ruticarpum,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,0,6.56576943397522 11666,4932,615,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7995997,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.69839882850647 11667,4931,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1potassium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11668,4931,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11669,4931,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11670,4931,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11671,4930,-1,,,,0.51657087,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.066283464431763 11672,4929,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,3,8.5 11673,4928,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,2,9.0 11674,4928,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,2,9.0 11675,4927,254,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,0.6049939,ISDB,PEBQSWUQULBCGF-SFOAYJPGSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3/b22-19-/t13-,15-,16-,17+,18-,20-,21+,25+/m0/s1",CC1=C[C@@H]2CCC[C@H](C)[C@H]2[C@H](/C(O)=C2\C(=O)[C@@H](C(C)C)N(C)C2=O)[C@H]1[C@]1(C)O[C@H]1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,3,4.919975519180298 11676,4927,254,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,0.6049939,ISDB,PEBQSWUQULBCGF-SFOAYJPGSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3/b22-19-/t13-,15-,16-,17+,18-,20-,21+,25+/m0/s1",CC1=C[C@@H]2CCC[C@H](C)[C@H]2[C@H](/C(O)=C2\C(=O)[C@@H](C(C)C)N(C)C2=O)[C@H]1[C@]1(C)O[C@H]1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,3,4.919975519180298 11677,4927,254,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,0.6049939,ISDB,PEBQSWUQULBCGF-UHFFFAOYSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3",CC1=CC2CCCC(C)C2C(C(O)=C2C(=O)C(C(C)C)N(C)C2=O)C1C1(C)OC1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys,4059636.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Unknown'],1,3,4.919975519180298 11678,4926,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.78084886,ISDB,RTGGRGPZRHTOKX-YKQPWQFYSA-N,"InChI=1S/C22H33NO/c1-4-23-11-21(3)8-7-18(24)22-16-9-13-5-6-14(19(16)12(13)2)15(20(22)23)10-17(21)22/h13-20,24H,2,4-11H2,1,3H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+,22+/m1/s1",C=C1[C@@H]2CC[C@H]3[C@@H]4C[C@H]5[C@@]6(C)CC[C@@H](O)[C@]5([C@H]4N(CC)C6)[C@@H](C2)[C@@H]13,C22H33NO,,327.256214676,RTGGRGPZRHTOKX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Delphinium ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],4,2,8.123395442962646 11679,4926,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.78084886,ISDB,RTGGRGPZRHTOKX-YKQPWQFYSA-N,"InChI=1S/C22H33NO/c1-4-23-11-21(3)8-7-18(24)22-16-9-13-5-6-14(19(16)12(13)2)15(20(22)23)10-17(21)22/h13-20,24H,2,4-11H2,1,3H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+,22+/m1/s1",C=C1[C@@H]2CC[C@H]3[C@@H]4C[C@H]5[C@@]6(C)CC[C@@H](O)[C@]5([C@H]4N(CC)C6)[C@@H](C2)[C@@H]13,C22H33NO,,327.256214676,RTGGRGPZRHTOKX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Consolida ajacis,756488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida ajacis'],4,2,8.123395442962646 11680,4925,-1,,,,0.693572,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.774287939071655 11681,4923,-1,,,,0.0,MS1_match,PKWCARAECWHBCL-YMTXFHFDSA-N,"InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccccc1)CC2=O,C22H24O9,pos_1_1sodium,432.142032348,PKWCARAECWHBCL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 11682,4921,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,pos_1_1proton,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 11683,4919,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,FTFZXPBVBBJTHV-OGJJZOIMSA-N,"InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C19H20O9,pos_1_1proton,392.11073222,FTFZXPBVBBJTHV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,3,7.5 11684,4918,694,Terpenoids,Diterpenoids,Arylnaphthalene and aryltetralin lignans,0.57360804,ISDB,AXGGCYIGMFOQQW-WOJBJXKFSA-N,"InChI=1S/C20H22O4/c1-10(2)11-8-12-13(9-14(11)21)19(3)6-5-7-20(4)17(19)16(15(12)22)24-18(20)23/h8-10,21H,5-7H2,1-4H3/t19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@]3(C)C(=O)OC(=C31)C2=O,C20H22O4,,326.151809184,AXGGCYIGMFOQQW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],5,2,8.294432163238525 11685,4917,996,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.67869663,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],6,3,10.214786529541016 11686,4914,-1,,,,0.59259886,ISDB,LPILXZUKZAMNLO-HJKQKUJRSA-N,"InChI=1S/C24H32O6/c1-11-6-14-20-17(22(20,4)5)7-13(3)23(21(14)29)10-12(2)16(9-19(27)28)24(23,30)15(11)8-18(25)26/h6,10,13-17,20,30H,7-9H2,1-5H3,(H,25,26)(H,27,28)/t13-,14+,15-,16+,17-,20+,23+,24+/m1/s1",CC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](CC(=O)O)[C@@]3(O)[C@@H]1CC(=O)O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C24H32O6,,416.219888744,LPILXZUKZAMNLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],3,0,5.3703954219818115 11687,4913,388,Terpenoids,Triterpenoids,Limonoids,0.62983346,ISDB,SAKHPJFLERYVSP-SLGBOPGLSA-N,"InChI=1S/C26H32O7/c1-24(2)17(12-19(28)30-5)26(4)16-8-10-25(3)20(15(16)6-7-18(24)27)21(33-26)23(29)32-22(25)14-9-11-31-13-14/h9,11,13,16-17,21-22H,6-8,10,12H2,1-5H3/t16-,17-,21-,22-,25+,26-/m0/s1",COC(=O)C[C@H]1C(C)(C)C(=O)CCC2=C3[C@@H]4O[C@@]1(C)[C@H]2CC[C@@]3(C)[C@H](c1ccoc1)OC4=O,C26H32O7,,456.214803364,SAKHPJFLERYVSP,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],3,3,7.019333839416504 11688,4913,388,Terpenoids,Triterpenoids,Limonoids,0.62983346,ISDB,SAKHPJFLERYVSP-SLGBOPGLSA-N,"InChI=1S/C26H32O7/c1-24(2)17(12-19(28)30-5)26(4)16-8-10-25(3)20(15(16)6-7-18(24)27)21(33-26)23(29)32-22(25)14-9-11-31-13-14/h9,11,13,16-17,21-22H,6-8,10,12H2,1-5H3/t16-,17-,21-,22-,25+,26-/m0/s1",COC(=O)C[C@H]1C(C)(C)C(=O)CCC2=C3[C@@H]4O[C@@]1(C)[C@H]2CC[C@@]3(C)[C@H](c1ccoc1)OC4=O,C26H32O7,,456.214803364,SAKHPJFLERYVSP,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],3,3,7.019333839416504 11689,4911,-1,,,,0.43133807,ISDB,KATZGWUZXSGURX-NYYWCZLTSA-N,"InChI=1S/C15H18O2/c1-11(8-14-9-12(2)10-17-14)4-5-15-13(3)6-7-16-15/h4,6-7,9-10H,5,8H2,1-3H3/b11-4+",C/C(=C\Cc1occc1C)Cc1cc(C)co1,C15H18O2,,230.130679816,KATZGWUZXSGURX,Terpenoids,,,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],5,0,6.7253522872924805 11690,4907,-1,,,,0.0,MS1_match,JAKPEFAGBAKNJU-BFMVXSJESA-N,"InChI=1S/C20H22O10/c21-8-15-16(24)17(25)18(26)20(30-15)29-14-6-1-10(7-13(14)23)9-28-19(27)11-2-4-12(22)5-3-11/h1-7,15-18,20-26H,8-9H2/t15-,16-,17+,18-,20-/m1/s1",O=C(OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)c1ccc(O)cc1,C20H22O10,pos_1_1proton,422.1212969039999,JAKPEFAGBAKNJU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,0,6.0 11691,4907,-1,,,,0.0,MS1_match,HNSCHTXMUKISFH-UHZRXMQZSA-N,"InChI=1S/C20H22O10/c21-10-4-1-9(2-5-10)3-6-12(22)15-13(23)7-11(8-14(15)24)29-20-18(27)16(25)17(26)19(28)30-20/h1-2,4-5,7-8,16-21,23-28H,3,6H2/t16-,17-,18+,19-,20+/m0/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C20H22O10,pos_1_1proton,422.121296904,HNSCHTXMUKISFH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,0,6.0 11692,4907,-1,,,,0.0,MS1_match,DAOOAXHBKMQZRM-CTXHMNPMSA-N,"InChI=1S/C20H22O10/c1-26-11-6-8-13-9(22)4-3-5-10(13)28-17(8)19(27-2)18(11)30-20-16(25)15(24)14(23)12(7-21)29-20/h3-6,12,14-16,20-25H,7H2,1-2H3/t12-,14-,15+,16-,20+/m1/s1",COc1cc2c(oc3cccc(O)c32)c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C20H22O10,pos_1_1proton,422.121296904,DAOOAXHBKMQZRM,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Pyracantha fortuneana,873501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha fortuneana'],6,0,6.0 11693,4907,-1,,,,0.0,MS1_match,RBAWAVDROAHWEW-UTFAJPOESA-N,"InChI=1S/C20H22O10/c1-26-11-6-9-8-4-3-5-10(17(8)30-18(9)19(27-2)14(11)23)28-20-16(25)15(24)13(22)12(7-21)29-20/h3-6,12-13,15-16,20-25H,7H2,1-2H3/t12-,13-,15+,16-,20-/m1/s1",COc1cc2c(oc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc32)c(OC)c1O,C20H22O10,pos_1_1proton,422.121296904,RBAWAVDROAHWEW,Shikimates and Phenylpropanoids,Isoflavonoids,,Pyracantha fortuneana,873501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha fortuneana'],6,0,6.0 11694,4907,-1,,,,0.0,MS1_match,FQQLZXVTYQMYQS-GOSKSRJBSA-N,"InChI=1S/C20H22O10/c1-26-12-6-10-9-4-3-8(5-11(9)29-18(10)19(27-2)15(12)23)28-20-17(25)16(24)14(22)13(7-21)30-20/h3-6,13-14,16-17,20-25H,7H2,1-2H3/t13-,14-,16+,17-,20-/m1/s1",COc1cc2c(oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc32)c(OC)c1O,C20H22O10,pos_1_1proton,422.121296904,FQQLZXVTYQMYQS,Shikimates and Phenylpropanoids,Isoflavonoids,,Pyracantha fortuneana,873501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha fortuneana'],6,0,6.0 11695,4907,-1,,,,0.0,MS1_match,SBGSBMMAAXSLCF-UHFFFAOYSA-N,"InChI=1S/C17H14O9/c1-26-10(20)4-5-11-6(2-8(18)14(22)16(11)24)13(21)7-3-9(19)15(23)17(25)12(5)7/h2-3,5,18-19,22-25H,4H2,1H3",COC(=O)CC1c2c(cc(O)c(O)c2O)C(=O)c2cc(O)c(O)c(O)c21,C17H14O9,pos_1_1proton1isopropanol,362.063782028,SBGSBMMAAXSLCF,,,,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,0,6.0 11696,4906,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 11697,4906,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 11698,4906,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 11699,4905,1336,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QSIASPXMKRQPDR-DDVRDOFFSA-N,"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,11,14,18-19,21-23H,9-10,12-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,21-,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1=O,C28H42N2O2,pos_1_1proton1isopropanol,438.324628584,QSIASPXMKRQPDR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,3,7.5 11700,4905,1336,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KUJJMZAMJWXAJU-LSAQCAEWSA-N,"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,12,14,18-20,22-23H,9-11,13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O,C28H42N2O2,pos_1_1proton1isopropanol,438.324628584,KUJJMZAMJWXAJU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,7.5 11701,4903,-1,,,,0.0,MS1_match,NFUTVRWRWMCUTE-ANSMBRFYSA-N,"InChI=1S/C28H38O12/c1-12-18(33)10-20(37-13(2)29)26(7)21(12)22(38-14(3)30)17-9-19(34)27(8)28(35,25(17,6)11-36-27)24(40-16(5)32)23(26)39-15(4)31/h17-18,20-24,33,35H,1,9-11H2,2-8H3/t17-,18-,20-,21-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C28H38O12,pos_1_1sodium,566.236326656,NFUTVRWRWMCUTE,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11702,4902,616,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NFUTVRWRWMCUTE-ANSMBRFYSA-N,"InChI=1S/C28H38O12/c1-12-18(33)10-20(37-13(2)29)26(7)21(12)22(38-14(3)30)17-9-19(34)27(8)28(35,25(17,6)11-36-27)24(40-16(5)32)23(26)39-15(4)31/h17-18,20-24,33,35H,1,9-11H2,2-8H3/t17-,18-,20-,21-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C28H38O12,pos_1_1proton1ammonium,566.236326656,NFUTVRWRWMCUTE,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,2,8.0 11703,4901,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6452033,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.58081316947937 11704,4900,-1,,,,0.0,MS1_match,QKUNRZIIZOSMMX-RKURLLSRSA-N,"InChI=1S/C30H42O12/c1-13-20(38-14(2)31)10-19-24(40-16(4)33)26-29(9,22(39-15(3)32)11-21(36)30(26)12-37-30)27(42-18(6)35)25(41-17(5)34)23(13)28(19,7)8/h19-22,24-27,36H,10-12H2,1-9H3/t19-,20+,21+,22+,24-,25-,26+,27+,29-,30-/m1/s1",CC(=O)O[C@@H]1[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H](OC(C)=O)C[C@H](O)[C@]4(CO4)[C@@H]13)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,QKUNRZIIZOSMMX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11705,4900,-1,,,,0.0,MS1_match,NFUTVRWRWMCUTE-ANSMBRFYSA-N,"InChI=1S/C28H38O12/c1-12-18(33)10-20(37-13(2)29)26(7)21(12)22(38-14(3)30)17-9-19(34)27(8)28(35,25(17,6)11-36-27)24(40-16(5)32)23(26)39-15(4)31/h17-18,20-24,33,35H,1,9-11H2,2-8H3/t17-,18-,20-,21-,22+,23-,24-,25-,26+,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C28H38O12,pos_1_1proton1ethylamine,566.236326656,NFUTVRWRWMCUTE,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11706,4900,-1,,,,0.0,MS1_match,USDGRBIQBGVGOS-LBAPPZQKSA-N,"InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.2676267839998,USDGRBIQBGVGOS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11707,4900,-1,,,,0.0,MS1_match,USDGRBIQBGVGOS-LBAPPZQKSA-N,"InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C30H42O12,pos_1_1proton1ammonium,594.2676267839998,USDGRBIQBGVGOS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11708,4900,-1,,,,0.0,MS1_match,ZXWPQDIJLNDZCL-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-20(36)11-22(39-16(4)32)29(10)24(13)26(41-18(6)34)30(37)12-21(38-15(3)31)14(2)23(28(30,8)9)25(40-17(5)33)27(29)42-19(7)35/h20-22,24-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,ZXWPQDIJLNDZCL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11709,4900,-1,,,,0.0,MS1_match,NJZSMGYGWKGBPU-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,NJZSMGYGWKGBPU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11710,4900,-1,,,,0.0,MS1_match,NJZSMGYGWKGBPU-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3",C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C(C)=C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C,C30H42O12,pos_1_1proton1ammonium,594.267626784,NJZSMGYGWKGBPU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11711,4899,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 11712,4899,-1,,,,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 11713,4897,-1,,,,0.39943472,ISDB,DKMGVACNAAKVRR-MRBSYODNSA-N,"InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+",CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,DKMGVACNAAKVRR,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.597738862037659 11714,4896,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.48251325,ISDB,LTGGNRAWDQDJNH-UPMAXNIISA-N,"InChI=1S/C30H50N2O2/c1-9-10-25(34)31-23-14-16-29-18-30(29)22(12-11-21(29)26(23,3)4)27(5)15-13-20(19(2)32(7)8)28(27,6)17-24(30)33/h19-23H,9-18H2,1-8H3,(H,31,34)/t19-,20+,21+,22-,23+,27-,28+,29+,30-/m0/s1",CCCC(=O)N[C@@H]1CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]3C1(C)C,C30H50N2O2,,470.38722884,LTGGNRAWDQDJNH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,10.430052995681763 11715,4894,564,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.7488034,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,2,9.995213508605957 11716,4894,564,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.7488034,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,9.995213508605957 11717,4893,-1,,,,0.4067496,ISDB,CIVCQBPNDDPMAT-UHFFFAOYSA-N,"InChI=1S/C34H40O12/c1-8-10-21(36)24-30(42)19(12-17-26(38)14(3)33(45-6)23(16(5)35)29(17)41)28(40)20(31(24)43)13-18-27(39)15(4)34(46-7)25(32(18)44)22(37)11-9-2/h38-44H,8-13H2,1-7H3",CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O,C34H40O12,,640.25197672,CIVCQBPNDDPMAT,Polyketides,Phloroglucinols,Oligomeric phloroglucinols (phlorotannins),Agrimonia pilosa,383278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Agrimonia'],['Agrimonia pilosa'],0,0,1.6269984245300293 11718,4891,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.31760493,ISDB,MBZYQIZHDWRHKZ-CIGOLHFESA-N,"InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(37(7,8)46)20-30(47-23(3)41)22(2)32(39)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28-,29+,30+,33+,34-,35+,36+,38-,39+/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C39H53NO11,,711.361861516,MBZYQIZHDWRHKZ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.770419716835022 11719,4890,1326,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.7465611,ISDB,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H",O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12,C30H18O10,,538.089996776,YUSWMAULDXZHPY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,11.486244440078735 11720,4889,-1,,,,0.5020651,ISDB,XTJPZURRXMUWLD-DVDWSHOASA-N,"InChI=1S/C28H48N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8,18-25,31H,9-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20-,21+,22-,23-,24+,25+,27+,28-/m0/s1",C/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]34)[C@@]2(C)C[C@H]1O,C28H48N2O2,,444.371578776,XTJPZURRXMUWLD,Terpenoids,Steroids,Pregnane steroids,Sarcococca ruscifolia,437379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca ruscifolia'],6,0,8.008260488510132 11721,4888,-1,,,,0.6056386,ISDB,UJGXCOFZMJCRLN-YDDBCJSBSA-N,"InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17+,18+,19-,20+,21+,22+,23-/m1/s1",C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H39NO,,345.303164868,UJGXCOFZMJCRLN,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.42255449295044 11722,4887,-1,,,,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1sodium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],6,0,6.0 11723,4887,-1,,,,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1sodium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 11724,4887,-1,,,,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1sodium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,0,6.0 11725,4887,-1,,,,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1sodium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],6,0,6.0 11726,4887,-1,,,,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1sodium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,0,6.0 11727,4887,-1,,,,0.0,MS1_match,OEEVVKOBSPJYJH-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c20-14-3-1-10-5-12(14)13-6-11(2-4-15(13)21)8-17(23)19(25)9-18(24)16(22)7-10/h1-6,16-25H,7-9H2",Oc1ccc2cc1-c1cc(ccc1O)CC(O)C(O)CC(O)C(O)C2,C19H22O6,pos_1_1sodium,346.14163842399995,OEEVVKOBSPJYJH,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,0,6.0 11728,4886,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ethylamine,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11729,4886,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11730,4886,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11731,4886,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11732,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZJHORUWDAUIHTD-UHFFFAOYSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)33(46-23(4)40)31-21(2)28(48-29(43)18-26(38(9)10)25-14-12-11-13-15-25)16-17-36(31,8)34(47-24(5)41)32(45-22(3)39)30(20)35(37,6)7/h11-15,26,28,31-34,44H,2,16-19H2,1,3-10H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,ZJHORUWDAUIHTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11733,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11734,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11735,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11736,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11737,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11738,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11739,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CVSYBUKGIXQKJN-QFTQROJLSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)32(46-23(4)40)30-21(2)28(48-34(43)26(38(9)10)18-25-14-12-11-13-15-25)16-17-36(30,8)33(47-24(5)41)31(45-22(3)39)29(20)35(37,6)7/h11-15,26,28,30-33,44H,2,16-19H2,1,3-10H3/t26?,28-,30-,31+,32-,33-,36+,37+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,CVSYBUKGIXQKJN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11740,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11741,4885,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XQLJYGLHZIUECS-GLESJUERSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.2777975439999,XQLJYGLHZIUECS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11742,4884,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11743,4884,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11744,4884,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11745,4884,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11746,4883,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.3998008,ISDB,KOTXAHKUCAQPQA-AAUVPWARSA-N,"InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23?,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1",CC(=O)O[C@H]1CC2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C35H47NO10,,641.319996704,KOTXAHKUCAQPQA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,10.0992032289505 11747,4881,940,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,VKLPDVPDTDIJKC-POFHNINGSA-N,"InChI=1S/C33H34O15/c1-11-7-13-14(34)3-4-15(35)23(13)28(41)22(11)21-12(2)8-17(37)24-19(6-5-16(36)25(21)24)47-33-31(44)29(42)27(40)20(48-33)10-46-32-30(43)26(39)18(38)9-45-32/h3-8,18,20,26-27,29-33,36-44H,9-10H2,1-2H3/t18-,20-,26+,27-,29+,30-,31-,32+,33-/m1/s1",Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc(O)c13)C(=O)C=CC2=O,C33H34O15,pos_1_1proton1ammonium,670.189770388,VKLPDVPDTDIJKC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Diospyros lycioides,978884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Royena'],['Royena lycioides'],6,3,7.5 11748,4881,940,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,SZKSYABHAXDRDG-POFHNINGSA-N,"InChI=1S/C33H34O15/c1-11-7-13-14(34)5-6-19(23(13)28(41)22(11)21-12(2)8-17(37)24-15(35)3-4-16(36)25(21)24)47-33-31(44)29(42)27(40)20(48-33)10-46-32-30(43)26(39)18(38)9-45-32/h3-8,18,20,26-27,29-34,37-44H,9-10H2,1-2H3/t18-,20-,26+,27-,29+,30-,31-,32+,33-/m1/s1",Cc1cc(O)c2c(c1-c1c(C)cc3c(O)ccc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c3c1O)C(=O)C=CC2=O,C33H34O15,pos_1_1proton1ammonium,670.189770388,SZKSYABHAXDRDG,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Diospyros lycioides,978884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Royena'],['Royena lycioides'],6,3,7.5 11749,4880,475,Polyketides,Naphthalenes,Naphthoquinones,0.76359034,ISDB,YJYNIQQTZMGISK-UHFFFAOYSA-N,"InChI=1S/C22H16O6/c1-9-7-15(25)19-13(23)5-3-11(17(19)21(9)27)12-4-6-14(24)20-16(26)8-10(2)22(28)18(12)20/h3-7,10,23-24H,8H2,1-2H3",CC1=CC(=O)c2c(O)ccc(-c3ccc(O)c4c3C(=O)C(C)CC4=O)c2C1=O,C22H16O6,,376.094688232,YJYNIQQTZMGISK,Polyketides,Naphthalenes,Naphthoquinones,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],7,3,11.554361343383789 11750,4879,2149,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,0.26385716,ISDB,SVGLRYYOFWEEMV-MTDVPKQISA-N,"InChI=1S/C29H34O9/c1-15-11-12-27-20(15)29(34,24(33)38-25(27,3)4)26(5)18(31)13-19-28(14-35-19,37-16(2)30)21(26)22(27)36-23(32)17-9-7-6-8-10-17/h6-10,18-19,21-22,31,34H,11-14H2,1-5H3/t18-,19+,21-,22-,26+,27-,28-,29-/m0/s1",CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]23CCC(C)=C2[C@]1(O)C(=O)OC3(C)C,C29H34O9,,526.220282668,SVGLRYYOFWEEMV,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,8.555428624153137 11751,4879,2149,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,0.26385716,ISDB,SVGLRYYOFWEEMV-MTDVPKQISA-N,"InChI=1S/C29H34O9/c1-15-11-12-27-20(15)29(34,24(33)38-25(27,3)4)26(5)18(31)13-19-28(14-35-19,37-16(2)30)21(26)22(27)36-23(32)17-9-7-6-8-10-17/h6-10,18-19,21-22,31,34H,11-14H2,1-5H3/t18-,19+,21-,22-,26+,27-,28-,29-/m0/s1",CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]23CCC(C)=C2[C@]1(O)C(=O)OC3(C)C,C29H34O9,,526.220282668,SVGLRYYOFWEEMV,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,3,8.555428624153137 11752,4876,-1,,,,0.8223392,ISDB,FSHKRIFUEGZCIN-DPFCLURTSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],3,0,6.289356708526611 11753,4876,-1,,,,0.8223392,ISDB,FSHKRIFUEGZCIN-DPFCLURTSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Marrubium velutinum,6081214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Marrubieae'],['Marrubium'],['Marrubium velutinum'],3,0,6.289356708526611 11754,4876,-1,,,,0.8223392,ISDB,FSHKRIFUEGZCIN-QUAQUOSGSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22?,25-,27-,29?,31+/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Buddleja coriacea,6073515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja coriacea'],3,0,6.289356708526611 11755,4875,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,3,8.5 11756,4874,1323,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.59912956,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.896518230438232 11757,4873,234,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.4472198,ISDB,QHRABXYWCDWVQB-BTYIYWSLSA-N,"InChI=1S/C21H27NO7/c1-27-17-7-5-13(9-19(17)29-3)8-15(12-23)21(26,20(22)25)11-14-4-6-16(24)18(10-14)28-2/h4-7,9-10,15,23-24,26H,8,11-12H2,1-3H3,(H2,22,25)/t15-,21-/m0/s1",COc1cc(C[C@@](O)(C(N)=O)[C@H](CO)Cc2ccc(OC)c(OC)c2)ccc1O,C21H27NO7,,405.178752204,QHRABXYWCDWVQB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Trachelospermum jasminoides,495811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Apocyneae'],['Trachelospermum'],['Trachelospermum jasminoides'],3,2,5.788879156112671 11758,4872,675,Terpenoids,Monoterpenoids,Megastigmanes,0.0,MS1_match,UUUMPMJOJKTIFJ-QYRNMCMWSA-N,"InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11-,13+,14+,15-,16+,17+,18+,19+/m0/s1",CC1=CC(=O)C[C@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(O)/C=C/[C@H](C)O,C19H30O9,pos_1_1proton1ammonium,402.18898254,UUUMPMJOJKTIFJ,Terpenoids,Apocarotenoids,Megastigmanes,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,8.5 11759,4872,675,Terpenoids,Monoterpenoids,Megastigmanes,0.0,MS1_match,UUUMPMJOJKTIFJ-QYRNMCMWSA-N,"InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11-,13+,14+,15-,16+,17+,18+,19+/m0/s1",CC1=CC(=O)C[C@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(O)/C=C/[C@H](C)O,C19H30O9,pos_1_1proton1ammonium,402.18898254,UUUMPMJOJKTIFJ,Terpenoids,Apocarotenoids,Megastigmanes,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,8.5 11760,4870,-1,,,,0.0,MS1_match,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,pos_2_2proton,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11761,4870,-1,,,,0.0,MS1_match,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,pos_2_2proton,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11762,4870,-1,,,,0.0,MS1_match,DNYDYJVMCPIMMQ-BZTLBABMSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,39H,13-16,18,20-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21,C35H50N2O4,pos_2_2proton,562.37705808,DNYDYJVMCPIMMQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11763,4869,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VYNQRHYSCBDBNY-WRIOLOASSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)30-28(42-22(2)39)19-35(5)26-18-27(40)31-25(17-24(26)15-16-34(30,35)4)13-14-29(33(31,3)20-38)36-32(41)23-11-9-8-10-12-23/h8-13,15,20-21,26-31,40H,14,16-19H2,1-7H3,(H,36,41)/t21-,26+,27-,28+,29-,30-,31-,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)[C@]4(C)C=O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O5,pos_1_1proton1methanol,576.356322636,VYNQRHYSCBDBNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 11764,4869,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JTYUIQIWSMPTDQ-RRWISKKNSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26(39)30-32(3)20-41-35(30,18-24(25)13-15-33(29,34)4)16-14-28(32)36-31(40)23-11-9-8-10-12-23/h8-14,16,21,25-30,39H,15,17-20H2,1-7H3,(H,36,40)/t21-,25+,26-,27+,28-,29-,30-,32+,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O5,pos_1_1proton1methanol,576.356322636,JTYUIQIWSMPTDQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,8.5 11765,4869,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VCPJZJYGJJULKC-YWIVKCBASA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-14,16,21,25-30,40H,15,17-20H2,1-7H3,(H,36,39)/t21-,25+,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H]4OC[C@@]5(C)[C@@H](NC(=O)c6ccccc6)C=C[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton1methanol,576.356322636,VCPJZJYGJJULKC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,8.5 11766,4869,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VCPJZJYGJJULKC-RRWISKKNSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-14,16,21,25-30,40H,15,17-20H2,1-7H3,(H,36,39)/t21-,25+,26-,27+,28-,29-,30-,32+,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)C=C[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton1methanol,576.356322636,VCPJZJYGJJULKC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 11767,4869,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QNOJJJBDYRTJIJ-NHKZMATNSA-N,"InChI=1S/C35H48N2O5/c1-20(37(6)7)29-28(42-21(2)38)18-35(5)25-17-27-30-24(15-23(25)13-14-34(29,35)4)16-26(39)31(33(30,3)19-41-27)36-32(40)22-11-9-8-10-12-22/h8-13,16,20,25-31,39H,14-15,17-19H2,1-7H3,(H,36,40)/t20-,25+,26+,27-,28+,29-,30-,31-,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)[C@H](O)C=C(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton1methanol,576.356322636,QNOJJJBDYRTJIJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,8.5 11768,4868,155,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4726356,ISDB,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.390542387962341 11769,4867,370,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.50918716,ISDB,KGECUYUTWWUGRM-KSBKVOADSA-N,"InChI=1S/C24H39NO2/c1-15(26)20-8-9-21-19-7-6-17-14-18(25(5)16(2)27)10-12-23(17,3)22(19)11-13-24(20,21)4/h17-22H,6-14H2,1-5H3/t17-,18+,19-,20+,21-,22+,23+,24+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N(C)C(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,C24H39NO2,,373.298079488,KGECUYUTWWUGRM,Terpenoids,Steroids,Pregnane steroids,Holarrhena pubescens,495827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena pubescens'],4,0,6.036748647689819 11770,4866,2149,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,0.0,MS1_match,YWLXLRUDGLRYDR-ZHPRIASZSA-N,"InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1",CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,C29H36O10,pos_1_1proton1ammonium,544.230847352,YWLXLRUDGLRYDR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,2,8.0 11771,4863,1243,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,SPNCPJHJJONRPM-YKSJTIPHSA-N,"InChI=1S/C32H50O5/c1-20(2)24-10-11-27-26(30(24,5)15-14-28(34)36-8)13-17-31(6)25(12-16-32(27,31)7)21(3)18-23(33)19-22(4)29(35)37-9/h11,21-22,24-26H,1,10,12-19H2,2-9H3/t21-,22-,24+,25-,26-,30+,31-,32+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)OC,C32H50O5,pos_2_1magnesium,514.3658246999998,SPNCPJHJJONRPM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,7.5 11772,4862,1243,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.38112578,ISDB,CUUFUIWPYJIJGQ-RYUDHWBXSA-N,"InChI=1S/C15H22O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,8,11-12H,4-5,7,9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)=CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H22O3,,250.156894564,CUUFUIWPYJIJGQ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,1,8.024503111839294 11773,4861,-1,,,,0.42398483,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,7.695939302444458 11774,4861,-1,,,,0.42398483,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,7.695939302444458 11775,4859,-1,,,,0.50157976,ISDB,CUKDXKLGQVRPBL-UHFFFAOYSA-N,"InChI=1S/C38H58O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-33(40)31(39)27-30-32(38(43)44-35(28)30)36-34(41)29(37(42)45-36)26-24-22-20-18-16-14-12-10-8-6-4-2/h27,39-41H,3-26H2,1-2H3",CCCCCCCCCCCCCC1=C(O)C(=C2C(=O)Oc3c2cc(O)c(O)c3CCCCCCCCCCCCC)OC1=O,C38H58O7,,626.418254196,CUKDXKLGQVRPBL,Polyketides,Aromatic polyketides,Catechols with side chains,Embelia ribes,417749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Embelia'],['Embelia ribes'],4,0,6.006319046020508 11776,4858,-1,,,,0.50907457,ISDB,KPPSMCABJGUZGW-HYXAFXHYSA-N,"InChI=1S/C24H32O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h3,5,9,12-13,15-16,18-20,25-26H,1-2,4,6-8,10-11,14,17H2/b5-3-",Oc1cc(O)cc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O2,,352.240230264,KPPSMCABJGUZGW,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.0362982749938965 11777,4857,-1,,,,0.36236718,ISDB,XPXCWUPURKUWHC-RYUDHWBXSA-N,"InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H24O3,,252.172544628,XPXCWUPURKUWHC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],5,0,6.449468731880188 11778,4857,-1,,,,0.36236718,ISDB,XPXCWUPURKUWHC-RYUDHWBXSA-N,"InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H24O3,,252.172544628,XPXCWUPURKUWHC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cedrus libani,608496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus libani'],5,0,6.449468731880188 11779,4857,-1,,,,0.36236718,ISDB,XPXCWUPURKUWHC-RYUDHWBXSA-N,"InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H24O3,,252.172544628,XPXCWUPURKUWHC,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],5,0,6.449468731880188 11780,4856,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QLIOXOVTRYEVGV-KWYVMQCFSA-N,"InChI=1S/C35H44O11/c1-19-27(40)17-30(46-31(42)14-13-24-11-9-8-10-12-24)25(18-36)15-28(41)26-16-29(43-21(3)37)20(2)32(35(26,6)7)34(45-23(5)39)33(19)44-22(4)38/h8-15,26-30,34,36,40-41H,16-18H2,1-7H3/b14-13+,25-15+,33-19+/t26-,27+,28-,29-,30-,34+/m1/s1",CC(=O)O/C1=C(\C)[C@@H](O)C[C@@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@@H](O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@@H]1OC(C)=O)C2(C)C,C35H44O11,pos_1_1proton1ethylamine,640.288362228,QLIOXOVTRYEVGV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11781,4856,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QLIOXOVTRYEVGV-KWYVMQCFSA-N,"InChI=1S/C35H44O11/c1-19-27(40)17-30(46-31(42)14-13-24-11-9-8-10-12-24)25(18-36)15-28(41)26-16-29(43-21(3)37)20(2)32(35(26,6)7)34(45-23(5)39)33(19)44-22(4)38/h8-15,26-30,34,36,40-41H,16-18H2,1-7H3/b14-13+,25-15+,33-19+/t26-,27+,28-,29-,30-,34+/m1/s1",CC(=O)O/C1=C(\C)[C@@H](O)C[C@@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@@H](O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@@H]1OC(C)=O)C2(C)C,C35H44O11,pos_1_1proton1ethylamine,640.288362228,QLIOXOVTRYEVGV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,3,7.5 11782,4855,1953,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,pos_1_1proton,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11783,4853,-1,,,,0.7910051,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.164020299911499 11784,4851,398,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,pos_2_2proton,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11785,4850,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11786,4849,1740,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ammonium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11787,4848,1102,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MCa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 11788,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-UHFFFAOYSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3",Cc1occc(=O)c1OC1OC(CO)C(O)C(O)C1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Gamblea innovans,709202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Gamblea'],['Gamblea innovans'],4,3,8.937170267105103 11789,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,8.937170267105103 11790,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Chaerophyllum hirsutum,815187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Chaerophyllum'],['Chaerophyllum hirsutum'],4,3,8.937170267105103 11791,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Aeschynanthus bracteatus,154188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Aeschynanthus'],['Aeschynanthus bracteatus'],4,3,8.937170267105103 11792,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Turnera diffusa,92073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Turnera'],['Turnera diffusa'],4,3,8.937170267105103 11793,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Inulanthera nuda,7596867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera nuda'],4,3,8.937170267105103 11794,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Prangos uloptera,413490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Prangos'],['Prangos uloptera'],4,3,8.937170267105103 11795,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Prangos tschimganica,3888519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Prangos'],['Prangos tschimganica'],4,3,8.937170267105103 11796,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Petrorhagia prolifera,312857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia prolifera'],4,3,8.937170267105103 11797,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Petrorhagia nanteuilii,5143926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia nanteuilii'],4,3,8.937170267105103 11798,4847,703,Polyketides,Cyclic polyketides,4-pyrone derivatives,0.85929257,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Helichrysum italicum,54015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum italicum'],4,3,8.937170267105103 11799,4846,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28194845,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,10.627793788909912 11800,4846,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28194845,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.627793788909912 11801,4846,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28194845,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.627793788909912 11802,4846,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28194845,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,3,10.627793788909912 11803,4846,1327,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.28194845,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.627793788909912 11804,4845,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 11805,4845,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 11806,4844,2183,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BGXQOXKJFCPHSX-NVOQNHNXSA-N,"InChI=1S/C40H54N2O4/c1-26(42(5)6)33-29(46-35(45)28-15-11-8-12-16-28)23-38(4)31-18-17-30-36(2,25-43)32(41-34(44)27-13-9-7-10-14-27)19-20-39(30)24-40(31,39)22-21-37(33,38)3/h7-16,26,29-33,43H,17-25H2,1-6H3,(H,41,44)/t26-,29+,30-,31-,32-,33-,36-,37+,38-,39+,40-/m0/s1",C[C@@H]([C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C40H54N2O4,pos_2_2proton,626.4083582080001,BGXQOXKJFCPHSX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 11807,4843,-1,,,,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 11808,4842,1622,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.80265844,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.710633754730225 11809,4841,-1,,,,0.0,MS1_match,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3",COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,C16H12O6,pos_1_1proton,300.063388104,IHFBPDAQLQOCBX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 11810,4841,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 11811,4841,-1,,,,0.0,MS1_match,VJJZJBUCDWKPLC-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3",COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O,C16H12O6,pos_1_1proton,300.063388104,VJJZJBUCDWKPLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 11812,4840,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_2MHNH3,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11813,4840,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2MHNH3,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11814,4840,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_2MHNH3,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11815,4840,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_2MHNH3,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11816,4839,-1,,,,0.7495366,ISDB,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,10.998146295547485 11817,4839,-1,,,,0.7495366,ISDB,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,10.998146295547485 11818,4839,-1,,,,0.7495366,ISDB,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,10.998146295547485 11819,4838,2814,,,,0.30743134,ISDB,,,,,,,ITSKEHKPHTXJPC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2297253608703613 11820,4837,-1,,,,0.48526314,ISDB,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,9.941052556037903 11821,4836,-1,,,,0.6311193,ISDB,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,9.524477243423462 11822,4835,-1,,,,0.0,MS1_match,GCAVYPNOOWBODM-GJZGRUSLSA-N,"InChI=1S/C19H24O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)14(10-20)6-12-2-4-16(22)18(24)8-12/h2-5,8-9,14-15,20-24H,6-7,10-11H2,1H3/t14-,15-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(O)c2)ccc1O,C19H24O6,pos_2MHNH3,348.157288488,GCAVYPNOOWBODM,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 11823,4834,-1,,,,0.0,MS1_match,OLBLWNPOURNBCY-UHFFFAOYSA-O,"InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1",OCC1OC(Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)cc23)C(O)C(O)C1O,C32H39O20+,pos_1_minus1proton1iron,743.20292006809,OLBLWNPOURNBCY,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 11824,4833,-1,,,,0.46948153,ISDB,IZCOVOGPZWOJIB-PQLHSWSHSA-N,"InChI=1S/C37H52N2O6/c1-21(39(8)9)31-28(44-23(3)41)19-35(6)29-16-15-26-25(18-37(29)30(45-37)20-36(31,35)7)17-27(43-22(2)40)32(34(26,4)5)38-33(42)24-13-11-10-12-14-24/h10-14,17,21,26-32H,15-16,18-20H2,1-9H3,(H,38,42)/t21-,26+,27+,28+,29-,30-,31-,32-,35-,36+,37+/m0/s1",CC(=O)O[C@@H]1C=C2C[C@]34O[C@H]3C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]3(C)[C@@H]4CC[C@H]2C(C)(C)[C@H]1NC(=O)c1ccccc1,C37H52N2O6,,620.382537384,IZCOVOGPZWOJIB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,8.877926111221313 11825,4829,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KZNJMVNXYDZENT-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(42)16-15-25-13-11-10-12-14-25)18-29(46-22(4)39)36(9)31(19)32(47-23(5)40)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)33(43)34(36)48-24(6)41/h10-16,26-27,29,31-34,43-44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ethylamine,682.2989269119998,KZNJMVNXYDZENT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11826,4829,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HDCVJVBXAPXPOQ-NKJCUGKCSA-N,"InChI=1S/C37H46O12/c1-20-30(45-22(3)39)17-28-29(43)16-27(19-38)32(49-33(44)15-14-26-12-10-9-11-13-26)18-31(46-23(4)40)21(2)35(47-24(5)41)36(48-25(6)42)34(20)37(28,7)8/h9-16,28-32,36,38,43H,17-19H2,1-8H3/b15-14+,27-16+,35-21-/t28-,29-,30-,31-,32-,36+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,HDCVJVBXAPXPOQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11827,4829,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FIUCYFQSNWIGHE-SDRLVIIESA-N,"InChI=1S/C37H46O12/c1-20-29(42)18-32(49-33(44)15-14-26-12-10-9-11-13-26)27(19-45-22(3)38)16-30(43)28-17-31(46-23(4)39)21(2)34(37(28,7)8)36(48-25(6)41)35(20)47-24(5)40/h9-16,28-32,36,42-43H,17-19H2,1-8H3/b15-14+,27-16+,35-20-/t28-,29+,30+,31+,32+,36-/m1/s1",CC(=O)OC/C1=C\[C@H](O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,FIUCYFQSNWIGHE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11828,4829,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DBZFNHBVCLHAHY-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(43)16-15-25-13-11-10-12-14-25)18-29(42)36(9)31(19)32(46-22(4)39)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)34(48-24(6)41)33(36)47-23(5)40/h10-16,26-27,29,31-34,42,44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,DBZFNHBVCLHAHY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11829,4828,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,pos_1_1proton,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11830,4828,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,pos_1_1proton,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11831,4827,-1,,,,0.80576044,ISDB,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.223041772842407 11832,4826,-1,,,,0.0,MS1_match,BZORLJPADUHVJE-QWBBESJSSA-N,"InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C39H54O7,pos_1_minus1proton1calcium,634.386954068,BZORLJPADUHVJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 11833,4823,1157,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.24219316,ISDB,CXFIQFGADOTDPF-XKZIYDEJSA-N,"InChI=1S/C38H48O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,23,26-27,33,39,41H,9,12,15,17-19H2,1-8H3,(H,42,43)/b22-13-",CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(CC4CC1C(C)(C)OC2(C/C=C(/C)C(=O)O)C4O)C3=O,C38H48O8,,632.3349184959999,CXFIQFGADOTDPF,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Garcinia hanburyi,311071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia hanburyi'],4,3,6.468772649765015 11834,4822,-1,,,,0.70648867,ISDB,MVIXAPHJOKOOEU-OFNXNBMYSA-N,"InChI=1S/C27H34N2/c1-29-18-10-15-22-25(29)19-23(20-11-4-2-5-12-20)27(24-16-8-9-17-28-24)26(22)21-13-6-3-7-14-21/h2-7,11-14,22-23,25-27H,8-10,15-19H2,1H3/t22-,23+,25+,26+,27-/m0/s1",CN1CCC[C@@H]2[C@@H](c3ccccc3)[C@H](C3=NCCCC3)[C@@H](c3ccccc3)C[C@H]21,C27H34N2,,386.272199088,MVIXAPHJOKOOEU,Alkaloids,,,Lobelia cardinalis,665771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia cardinalis'],4,0,6.8259546756744385 11835,4821,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,3,8.5 11836,4820,-1,,,,0.50087374,ISDB,RAMZOIXSGZNZAP-GQEXHLRCSA-N,"InChI=1S/C31H50O12/c1-28-8-4-9-29(2,18(28)7-10-31-11-15(5-6-19(28)31)30(3,39)14-31)27(38)43-26-24(22(36)21(35)17(12-32)41-26)42-25-23(37)20(34)16(33)13-40-25/h15-26,32-37,39H,4-14H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-,22+,23-,24-,25+,26+,28-,29-,30-,31+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3,C31H50O12,,614.33022704,RAMZOIXSGZNZAP,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Eremosis triflosculosa,7052625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Eremosis'],['Eremosis triflosculosa'],4,0,6.00349497795105 11837,4819,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ethylamine,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11838,4819,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11839,4819,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11840,4819,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11841,4818,-1,,,,0.26220357,ISDB,XPLHFSXEZDJFCO-ZQDZILKHSA-N,"InChI=1S/C17H26N2O3/c1-3-6-14-12-9-13(11-19(14)17(21)22-4-2)15-7-5-8-16(20)18(15)10-12/h3,12-15H,1,4-11H2,2H3/t12-,13-,14-,15+/m0/s1",C=CC[C@H]1[C@H]2C[C@@H](CN1C(=O)OCC)[C@H]1CCCC(=O)N1C2,C17H26N2O3,,306.194342692,XPLHFSXEZDJFCO,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lupinus polyphyllus,1030439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus polyphyllus'],4,0,5.048814296722412 11842,4817,-1,,,,0.0,MS1_match,HGVVOUNEGQIPMS-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O13,pos_1_1proton,594.137340892,HGVVOUNEGQIPMS,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,0,7.0 11843,4816,-1,,,,0.5944672,ISDB,OWZQLGWYJGXUMM-SUMWQHHRSA-N,"InChI=1S/C17H18O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-8,13,17-19H,9H2,1-2H3/t13-,17+/m0/s1",COc1ccc([C@@H]2COc3cc(OC)c(O)cc3[C@H]2O)cc1,C17H18O5,,302.115423676,OWZQLGWYJGXUMM,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],3,0,5.377868890762329 11844,4815,-1,,,,0.40151408,ISDB,DKMGVACNAAKVRR-MRBSYODNSA-N,"InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+",CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,DKMGVACNAAKVRR,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.606056332588196 11845,4814,-1,,,,0.24331708,ISDB,,,,,,,KAHDAULQQJUDPU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9732683300971985 11846,4813,616,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11847,4813,616,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11848,4813,616,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11849,4813,616,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11850,4812,-1,,,,0.0,MS1_match,AGQLGMXLTFMOAP-OEHKQELHSA-N,"InChI=1S/C23H22O11/c1-9-20(32-10(2)24)18(29)19(30)23(31-9)34-22-17(28)16-14(27)7-13(26)8-15(16)33-21(22)11-3-5-12(25)6-4-11/h3-9,18-20,23,25-27,29-30H,1-2H3/t9-,18-,19+,20-,23-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C,C23H22O11,pos_1_1proton1methanol,474.1162115239999,AGQLGMXLTFMOAP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 11851,4811,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.4897266,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.458906412124634 11852,4810,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.78304,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],3,3,7.632159948348999 11853,4810,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.78304,ISDB,ZAUXXSQCVPKKPE-HNNXBMFYSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m0/s1",CC1=C2C(=O)c3c(C)coc3C[C@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],3,3,7.632159948348999 11854,4809,-1,,,,0.0,MS1_match,UOUGFQVCCBWYHB-YQJHWPCZSA-N,"InChI=1S/C29H46N2O3/c1-16(2)19-15-31(27(19)34)23-11-13-28(4)20-10-12-29(5)22(18(20)8-9-21(28)26(23)33)14-24(32)25(29)17(3)30(6)7/h11,16-22,24-25,32H,8-10,12-15H2,1-7H3/t17-,18+,19-,20-,21+,22-,24+,25-,28+,29-/m0/s1",CC(C)[C@@H]1CN(C2=CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@H]43)C2=O)C1=O,C29H46N2O3,pos_1_1proton1isopropanol,470.3508433319999,UOUGFQVCCBWYHB,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,0,6.0 11855,4808,319,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.566926,ISDB,QILSEMOPVAZWLY-DSJRXEMUSA-N,"InChI=1S/C28H46N2O/c1-19(29(5)6)22-13-15-28(4)24-10-9-23-20(16-21(24)12-14-27(22,28)3)8-11-25-26(23,2)17-31-18-30(25)7/h12,16,19,22-25H,8-11,13-15,17-18H2,1-7H3/t19-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C)N(C)C,C28H46N2O,,426.361014092,QILSEMOPVAZWLY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.767704010009766 11856,4807,-1,,,,0.50498444,ISDB,ZQUSGHWWSCAMAR-UWWQJTBQSA-N,"InChI=1S/C33H50N2O3/c1-21(34(5)6)25-15-16-26-24-13-14-28-30(38-22(2)36)29(35(7)31(37)23-11-9-8-10-12-23)18-20-33(28,4)27(24)17-19-32(25,26)3/h8-12,21,24-30H,13-20H2,1-7H3/t21-,24-,25+,26-,27-,28-,29+,30+,32+,33+/m0/s1",CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C33H50N2O3,,522.38214346,ZQUSGHWWSCAMAR,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,8.019937753677368 11857,4807,-1,,,,0.50498444,ISDB,ZQUSGHWWSCAMAR-UWWQJTBQSA-N,"InChI=1S/C33H50N2O3/c1-21(34(5)6)25-15-16-26-24-13-14-28-30(38-22(2)36)29(35(7)31(37)23-11-9-8-10-12-23)18-20-33(28,4)27(24)17-19-32(25,26)3/h8-12,21,24-30H,13-20H2,1-7H3/t21-,24-,25+,26-,27-,28-,29+,30+,32+,33+/m0/s1",CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C33H50N2O3,,522.38214346,ZQUSGHWWSCAMAR,Terpenoids,Steroids,Pregnane steroids,Sarcococca coriacea,6128186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca coriacea'],6,0,8.019937753677368 11858,4807,-1,,,,0.50498444,ISDB,ZQUSGHWWSCAMAR-RWBMJKMJSA-N,"InChI=1S/C33H50N2O3/c1-21(34(5)6)25-15-16-26-24-13-14-28-30(38-22(2)36)29(35(7)31(37)23-11-9-8-10-12-23)18-20-33(28,4)27(24)17-19-32(25,26)3/h8-12,21,24-30H,13-20H2,1-7H3/t21-,24-,25+,26-,27-,28-,29-,30+,32+,33+/m0/s1",CC(=O)O[C@H]1[C@@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C33H50N2O3,,522.38214346,ZQUSGHWWSCAMAR,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,8.019937753677368 11859,4806,452,Terpenoids,Steroids,Steroidal alkaloids,0.51282084,ISDB,DMWFVSJPHMUFEL-UHFFFAOYSA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C(CCC3(C)C(C(C)N(C)C)CCC23C)CC2=CC(O)C(NC(=O)c3ccccc3)C(C)(C)C21,C35H52N2O4,,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.551283359527588 11860,4805,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5281114,ISDB,XRAXOBMGDOKQGR-PRNAPTTNSA-N,"InChI=1S/C26H39NO/c1-6-20-12-14-26(4)22-9-8-21-18(15-19(22)11-13-25(20,26)3)7-10-23-24(21,2)16-28-17-27(23)5/h6,11,15,20-23H,1,7-10,12-14,16-17H2,2-5H3/t20-,21+,22+,23-,24-,25+,26-/m0/s1",C=C[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C,C26H39NO,,381.303164868,XRAXOBMGDOKQGR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.612445592880249 11861,4804,-1,,,,0.714891,ISDB,DZBDDACPJRFJGO-NXBFSHDWSA-N,"InChI=1S/C19H34N2O2/c1-13-9-14(11-16-5-3-4-8-21(16)2)17-7-6-15(12-19(22)23)20-18(17)10-13/h13-18,20H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,17+,18-/m1/s1",C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CC[C@@H](CC(=O)O)N[C@@H]2C1,C19H34N2O2,,322.262028328,DZBDDACPJRFJGO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lycopodiella cernua,429356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Palhinhaea'],['Palhinhaea cernua'],3,0,5.8595640659332275 11862,4803,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.73159593,ISDB,HKMQKWZDPMJSBO-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-12H,1-4H3",CC=Cc1ccc2oc(-c3ccc(OC)c(OC)c3)c(C)c2c1,C20H20O3,,308.1412445,HKMQKWZDPMJSBO,Shikimates and Phenylpropanoids,Lignans,,Eupomatia laurina,659249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Eupomatiaceae'],['Unknown'],['Eupomatia'],['Eupomatia laurina'],4,2,7.92638373374939 11863,4803,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.73159593,ISDB,HKMQKWZDPMJSBO-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-12H,1-4H3",CC=Cc1ccc2oc(-c3ccc(OC)c(OC)c3)c(C)c2c1,C20H20O3,,308.1412445,HKMQKWZDPMJSBO,Shikimates and Phenylpropanoids,Lignans,,Eupomatia bennettii,971331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Eupomatiaceae'],['Unknown'],['Eupomatia'],['Eupomatia bennettii'],4,2,7.92638373374939 11864,4803,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.73159593,ISDB,HKMQKWZDPMJSBO-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-12H,1-4H3",CC=Cc1ccc2oc(-c3ccc(OC)c(OC)c3)c(C)c2c1,C20H20O3,,308.1412445,HKMQKWZDPMJSBO,Shikimates and Phenylpropanoids,Lignans,,Caryodaphnopsis tonkinensis,634478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Caryodaphnopsis'],['Caryodaphnopsis tonkinensis'],4,2,7.92638373374939 11865,4801,-1,,,,0.0,MS1_match,LZERJKGWTQYMBB-UHFFFAOYSA-N,"InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3",COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1,C17H14O5,pos_1_1proton,298.084123548,LZERJKGWTQYMBB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 11866,4800,-1,,,,0.59607476,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,8.384299039840698 11867,4799,319,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5668981,ISDB,DLPHGNHSDIDDPI-KBVVDYDXSA-N,"InChI=1S/C27H44N2O/c1-17-24-22(30-16-29(17)7)15-27(5)21-10-9-20-18(8-11-23(28-6)25(20,2)3)14-19(21)12-13-26(24,27)4/h12,14,17,20-24,28H,8-11,13,15-16H2,1-7H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]5[C@@H](C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)OCN(C)[C@H]5C,C27H44N2O,,412.345364028,DLPHGNHSDIDDPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.767592430114746 11868,4798,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RIVHKUMNQRHVLQ-UHFFFAOYSA-N,"InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.3036183679998,RIVHKUMNQRHVLQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11869,4798,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RIVHKUMNQRHVLQ-UHFFFAOYSA-N,"InChI=1S/C35H44O8/c1-20-27-18-26-19-29(40-22(3)36)21(2)31(34(26,6)7)32(41-23(4)37)33(42-24(5)38)35(27,8)17-16-28(20)43-30(39)15-14-25-12-10-9-11-13-25/h9-15,26-29,32-33H,1,16-19H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.3036183679998,RIVHKUMNQRHVLQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 11870,4798,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,PAIIMRPDBSFIET-JZULUBIOSA-N,"InChI=1S/C35H44O8/c1-19-26(28(39)15-14-24-12-10-9-11-13-24)18-30(40)35(8)27(19)16-25-17-29(41-21(3)36)20(2)31(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29-30,32-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26+,27-,29+,30+,32-,33+,35+/m1/s1",C=C1[C@@H](C(=O)/C=C/c2ccccc2)C[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C,C35H44O8,pos_1_1proton1ammonium,592.303618368,PAIIMRPDBSFIET,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11871,4798,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HYRLNINDGRHYHB-IFHKUCNCSA-N,"InChI=1S/C35H47NO8/c1-19-26(39)17-24-30(42-21(3)37)35-20(2)27(44-28(40)18-25(36(8)9)23-13-11-10-12-14-23)15-16-33(35,7)29(41)31(43-22(4)38)34(19,35)32(24,5)6/h10-14,19,24-25,27,29-31,41H,2,15-18H2,1,3-9H3/t19-,24+,25-,27+,29+,30-,31+,33+,34-,35-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H47NO8,pos_1_1proton,609.330167464,HYRLNINDGRHYHB,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11872,4797,-1,,,,0.77001274,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus neoniveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,4.080050945281982 11873,4797,-1,,,,0.77001274,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus niveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,4.080050945281982 11874,4795,649,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.30923292,ISDB,VUHCEJPYCQSKEW-PBVIGIQOSA-N,"InChI=1S/C15H23NO4/c1-9-5-10(2)15(20)12(6-9)4-3-11(7-13(16)17)8-14(18)19/h4,9-11H,3,5-8H2,1-2H3,(H2,16,17)(H,18,19)/b12-4+/t9-,10-,11-/m0/s1",C[C@@H]1C/C(=C\C[C@@H](CC(N)=O)CC(=O)O)C(=O)[C@@H](C)C1,C15H23NO4,,281.162708216,VUHCEJPYCQSKEW,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.7369316816329956 11875,4794,-1,,,,0.7013224,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],3,0,5.8052895069122314 11876,4794,-1,,,,0.7013224,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,0,5.8052895069122314 11877,4793,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 11878,4793,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 11879,4790,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,BIRUBGLRQLAEFF-UHFFFAOYSA-N,"InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,C31H62O2,pos_2_2sodium,466.474981224,BIRUBGLRQLAEFF,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 11880,4789,-1,,,,0.7983794,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.193517684936523 11881,4788,-1,,,,0.0,MS1_match,BZORLJPADUHVJE-QWBBESJSSA-N,"InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C39H54O7,pos_1_minus1proton1calcium,634.386954068,BZORLJPADUHVJE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 11882,4785,-1,,,,0.49814275,ISDB,MQOMHFMKUJFDBH-OBZTUIKSSA-N,"InChI=1S/C20H26O5/c1-13-6-10-19-11-8-15(20(19,24)12-7-13)18(3,25-17(19)23)9-4-5-14(2)16(21)22/h4-6,9,15,24H,7-8,10-12H2,1-3H3,(H,21,22)/t15-,18+,19+,20-/m0/s1",CC1=CC[C@@]23CC[C@@H]([C@@](C)(C=CC=C(C)C(=O)O)OC2=O)[C@@]3(O)CC1,C20H26O5,,346.178023932,MQOMHFMKUJFDBH,Terpenoids,,,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],5,0,6.992570996284485 11883,4785,-1,,,,0.49814275,ISDB,MQOMHFMKUJFDBH-OBZTUIKSSA-N,"InChI=1S/C20H26O5/c1-13-6-10-19-11-8-15(20(19,24)12-7-13)18(3,25-17(19)23)9-4-5-14(2)16(21)22/h4-6,9,15,24H,7-8,10-12H2,1-3H3,(H,21,22)/t15-,18+,19+,20-/m0/s1",CC1=CC[C@@]23CC[C@@H]([C@@](C)(C=CC=C(C)C(=O)O)OC2=O)[C@@]3(O)CC1,C20H26O5,,346.178023932,MQOMHFMKUJFDBH,Terpenoids,,,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,0,6.992570996284485 11884,4784,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.41950575,ISDB,KPOWRRDYXUYBJR-UHFFFAOYSA-N,"InChI=1S/C41H55NO14/c1-20-28(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)18-30(52-23(4)44)40(10)32(20)36(54-25(6)46)41(50)19-29(51-22(3)43)21(2)31(39(41,8)9)35(53-24(5)45)37(40)55-26(7)47/h13-17,28-30,32-37,48,50H,1,18-19H2,2-12H3",C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C41H55NO14,,785.36225544,KPOWRRDYXUYBJR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,10.178022980690002 11885,4782,232,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_1_1potassium,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,2,10.0 11886,4780,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],6,0,6.0 11887,4780,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],6,0,6.0 11888,4780,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda serratifolia,717971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda serratifolia'],6,0,6.0 11889,4779,-1,,,,0.7706223,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,10.082489252090454 11890,4779,-1,,,,0.7706223,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,10.082489252090454 11891,4778,2561,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.443944,ISDB,LCZDRNJWCTYBNI-APWZRJJASA-N,"InChI=1S/C19H22O4/c20-15-8-4-13(5-9-15)6-10-16-2-1-3-19(23-16)14-7-11-17(21)18(22)12-14/h4-5,7-9,11-12,16,19-22H,1-3,6,10H2/t16-,19+/m1/s1",Oc1ccc(CC[C@H]2CCC[C@@H](c3ccc(O)c(O)c3)O2)cc1,C19H22O4,,314.151809184,LCZDRNJWCTYBNI,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus nepalensis,639089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus nepalensis'],3,3,6.275776028633118 11892,4776,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 11893,4776,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 11894,4773,-1,,,,0.41708466,ISDB,OCTCQOBNUIMMMN-MGUQSTJXSA-N,"InChI=1S/C35H58O9/c1-30(2)14-19-18-8-9-22-32(5)12-11-23(37)31(3,4)21(32)10-13-33(22,6)34(18,7)15-24(38)35(19,28(42)27(30)41)17-43-29-26(40)25(39)20(16-36)44-29/h8,19-29,36-42H,9-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,25-,26-,27-,28-,29+,32-,33+,34+,35-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C35H58O9,,622.408083436,OCTCQOBNUIMMMN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,0,5.668338656425476 11895,4772,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QSIASPXMKRQPDR-DDVRDOFFSA-N,"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,11,14,18-19,21-23H,9-10,12-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,21-,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1=O,C28H42N2O2,pos_1_1proton1isopropanol,438.324628584,QSIASPXMKRQPDR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,3,7.5 11896,4772,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KUJJMZAMJWXAJU-LSAQCAEWSA-N,"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,12,14,18-20,22-23H,9-11,13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O,C28H42N2O2,pos_1_1proton1isopropanol,438.324628584,KUJJMZAMJWXAJU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,7.5 11897,4771,-1,,,,0.5689943,ISDB,JNHKVMWTQCZYHK-CVZWCJCVSA-N,"InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O,C15H20O3,,248.1412445,JNHKVMWTQCZYHK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,9.27597713470459 11898,4770,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6126609,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.950643539428711 11899,4770,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6126609,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Laurus novocanariensis,5699389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus novocanariensis'],7,3,10.950643539428711 11900,4769,-1,,,,0.0,MS1_match,DFIZODYMENDZMN-RBTXIFOQSA-N,"InChI=1S/C15H28O4/c1-13-6-4-7-14(2,18)12(13)11(17)10(5-8-13)15(3,19)9-16/h10-12,16-19H,4-9H2,1-3H3/t10-,11+,12-,13-,14-,15-/m1/s1",C[C@]12CCC[C@@](C)(O)[C@@H]1[C@@H](O)[C@H]([C@](C)(O)CO)CC2,C15H28O4,pos_1_1sodium,272.198759376,DFIZODYMENDZMN,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 11901,4768,891,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.7980206,ISDB,HCBBFMFEVRXQGI-SFJACZDSSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-15(8-17-15)10-4-6-14(3,16)12(10)11(9)13/h9-12,16H,4-8H2,1-3H3/t9-,10-,11-,12-,14+,15-/m0/s1",CC1(C)[C@@H]2[C@@H]3[C@H](CC[C@@]3(C)O)[C@]3(CC[C@@H]21)CO3,C15H24O2,,236.177630008,HCBBFMFEVRXQGI,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Neolitsea hiiranensis,5699234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea hiiranensis'],6,3,10.692082405090332 11902,4767,808,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,0.749515,ISDB,UGVIZCBJCSXBCJ-JWFUOXDNSA-N,"InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1",C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H22O,,218.167065324,UGVIZCBJCSXBCJ,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,3,10.49805998802185 11903,4766,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7793745,ISDB,CTILMUMVHPOCNU-JTQLQIEISA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,2,8.11749792098999 11904,4766,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7793745,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena glaberrima,7603033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena glaberrima'],4,2,8.11749792098999 11905,4766,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7793745,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],4,2,8.11749792098999 11906,4766,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7793745,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis ulicina,7600236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis ulicina'],4,2,8.11749792098999 11907,4766,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7793745,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena,692383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Unknown'],4,2,8.11749792098999 11908,4766,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7793745,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eutrochium fistulosum,681437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eutrochium'],['Eutrochium fistulosum'],4,2,8.11749792098999 11909,4765,-1,,,,0.3534622,ISDB,BDOVQRGWITVTSL-UHFFFAOYSA-N,"InChI=1S/C19H28/c1-5-18(3)12-10-17-15(13-18)8-9-16-14(2)7-6-11-19(16,17)4/h5,8,16-17H,1-2,6-7,9-13H2,3-4H3",C=CC1(C)CCC2C(=CCC3C(=C)CCCC32C)C1,C19H28,,256.219100896,BDOVQRGWITVTSL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,5.4138487577438354 11910,4764,-1,,,,0.5488426,ISDB,CEMBNJZUXWTPEZ-ZUEPEPMWSA-N,"InChI=1S/C26H34O8/c1-15-11-20(29)22(32-17(3)28)25(14-31-16(2)27)21(33-23(30)18-9-7-6-8-10-18)12-19-13-26(15,25)34-24(19,4)5/h6-10,15,19-22,29H,11-14H2,1-5H3/t15-,19-,20+,21+,22+,25-,26+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](O)C[C@H](C)[C@]13C[C@H](C[C@H]2OC(=O)c1ccccc1)C(C)(C)O3,C26H34O8,,474.225368048,CEMBNJZUXWTPEZ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],3,0,5.195370435714722 11911,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LOMXQCXSNSCLNP-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-13(25)6-10(30-2)7-14(15)32-20(21)9-3-4-11(23)12(24)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O11,pos_1_1proton1methanol,462.1162115239998,LOMXQCXSNSCLNP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 11912,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LOMXQCXSNSCLNP-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-13(25)6-10(30-2)7-14(15)32-20(21)9-3-4-11(23)12(24)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O11,pos_1_1proton1methanol,462.1162115239998,LOMXQCXSNSCLNP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 11913,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton1isopropanol,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 11914,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton1isopropanol,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 11915,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton1isopropanol,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 11916,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton1isopropanol,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 11917,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton1isopropanol,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 11918,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PZZRDJXEMZMZFD-IEGSVRCHSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton1isopropanol,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 11919,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton1isopropanol,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 11920,4763,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton1isopropanol,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 11921,4762,3128,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,BIJOPUWEMBBDEG-UHFFFAOYSA-N,"InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3",COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1,C14H14O4,pos_1_1proton,246.089208928,BIJOPUWEMBBDEG,Polyketides,Naphthalenes,Naphthalenes and derivatives,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,3,8.5 11922,4762,3128,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,BIJOPUWEMBBDEG-UHFFFAOYSA-N,"InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3",COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1,C14H14O4,pos_1_1proton,246.089208928,BIJOPUWEMBBDEG,Polyketides,Naphthalenes,Naphthalenes and derivatives,Berchemia discolor,704358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia discolor'],7,3,8.5 11923,4762,3128,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,XHEPMMCLXBHCRW-UHFFFAOYSA-N,"InChI=1S/C14H14O4/c1-7-4-9-5-10(16)6-11(18-3)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3",COc1cc(O)cc2cc(C)c(C(C)=O)c(O)c12,C14H14O4,pos_1_1proton,246.089208928,XHEPMMCLXBHCRW,Polyketides,Naphthalenes,Naphthalenes and derivatives,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,3,8.5 11924,4761,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KZNJMVNXYDZENT-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(42)16-15-25-13-11-10-12-14-25)18-29(46-22(4)39)36(9)31(19)32(47-23(5)40)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)33(43)34(36)48-24(6)41/h10-16,26-27,29,31-34,43-44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ethylamine,682.2989269119998,KZNJMVNXYDZENT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11925,4761,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HDCVJVBXAPXPOQ-NKJCUGKCSA-N,"InChI=1S/C37H46O12/c1-20-30(45-22(3)39)17-28-29(43)16-27(19-38)32(49-33(44)15-14-26-12-10-9-11-13-26)18-31(46-23(4)40)21(2)35(47-24(5)41)36(48-25(6)42)34(20)37(28,7)8/h9-16,28-32,36,38,43H,17-19H2,1-8H3/b15-14+,27-16+,35-21-/t28-,29-,30-,31-,32-,36+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,HDCVJVBXAPXPOQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11926,4761,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FIUCYFQSNWIGHE-SDRLVIIESA-N,"InChI=1S/C37H46O12/c1-20-29(42)18-32(49-33(44)15-14-26-12-10-9-11-13-26)27(19-45-22(3)38)16-30(43)28-17-31(46-23(4)39)21(2)34(37(28,7)8)36(48-25(6)41)35(20)47-24(5)40/h9-16,28-32,36,42-43H,17-19H2,1-8H3/b15-14+,27-16+,35-20-/t28-,29+,30+,31+,32+,36-/m1/s1",CC(=O)OC/C1=C\[C@H](O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,FIUCYFQSNWIGHE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11927,4761,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DBZFNHBVCLHAHY-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(43)16-15-25-13-11-10-12-14-25)18-29(42)36(9)31(19)32(46-22(4)39)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)34(48-24(6)41)33(36)47-23(5)40/h10-16,26-27,29,31-34,42,44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ethylamine,682.298926912,DBZFNHBVCLHAHY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 11928,4760,-1,,,,0.0,MS1_match,NRSUOHVIKLCXEE-UHFFFAOYSA-N,"InChI=1S/C23H24O11/c1-3-13-17(27)19(29)20(30)23(33-13)34-22-18(28)16-12(26)7-10(24)8-15(16)32-21(22)9-4-5-11(25)14(6-9)31-2/h4-8,13,17,19-20,23-27,29-30H,3H2,1-2H3",CCC1OC(Oc2c(-c3ccc(O)c(OC)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C23H24O11,pos_1_1proton,476.131861588,NRSUOHVIKLCXEE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alphitonia incana,5749479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Unknown'],['Alphitonia'],['Alphitonia incana'],6,0,6.0 11929,4760,-1,,,,0.0,MS1_match,NRSUOHVIKLCXEE-UHFFFAOYSA-N,"InChI=1S/C23H24O11/c1-3-13-17(27)19(29)20(30)23(33-13)34-22-18(28)16-12(26)7-10(24)8-15(16)32-21(22)9-4-5-11(25)14(6-9)31-2/h4-8,13,17,19-20,23-27,29-30H,3H2,1-2H3",CCC1OC(Oc2c(-c3ccc(O)c(OC)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C23H24O11,pos_1_1proton,476.131861588,NRSUOHVIKLCXEE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alphitonia philippinensis,7056802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Unknown'],['Alphitonia'],['Alphitonia philippinensis'],6,0,6.0 11930,4759,-1,,,,0.62592566,ISDB,BFMIUBHJKFRWIV-MRXNPFEDSA-N,"InChI=1S/C16H16O5/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)13(8)15(19)14(9)12(18)7-16/h3-5,17,19-20H,6-7H2,1-2H3/t16-/m1/s1",COc1cc(O)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC3=O,C16H16O5,,288.099773612,BFMIUBHJKFRWIV,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Berchemia discolor,704358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia discolor'],7,0,9.503702640533447 11931,4758,-1,,,,0.440787,ISDB,OOIJRRBPTUCNMW-UHFFFAOYSA-N,"InChI=1S/C14H12O3/c15-9-12-8-11(3-6-14(12)17)7-10-1-4-13(16)5-2-10/h1-6,8-9,16-17H,7H2",O=Cc1cc(Cc2ccc(O)cc2)ccc1O,C14H12O3,,228.078644244,OOIJRRBPTUCNMW,Shikimates and Phenylpropanoids,,,Microtropis fokienensis,1015845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Microtropis'],['Microtropis fokienensis'],4,0,5.763147950172424 11932,4753,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JHPBZGSKESVROC-IGIVFXLZSA-N,"InChI=1S/C37H46O13/c1-18-26(45-19(2)38)15-25-30(49-34(43)24-13-11-10-12-14-24)32-36(9,27(46-20(3)39)16-28-37(32,17-44-28)50-23(6)42)33(48-22(5)41)31(47-21(4)40)29(18)35(25,7)8/h10-14,25-28,30-33H,15-17H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33-,36+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C37H46O13,pos_1_1proton1ethylamine,698.293841532,JHPBZGSKESVROC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 11933,4752,-1,,,,0.0,MS1_match,VYNQRHYSCBDBNY-WRIOLOASSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)30-28(42-22(2)39)19-35(5)26-18-27(40)31-25(17-24(26)15-16-34(30,35)4)13-14-29(33(31,3)20-38)36-32(41)23-11-9-8-10-12-23/h8-13,15,20-21,26-31,40H,14,16-19H2,1-7H3,(H,36,41)/t21-,26+,27-,28+,29-,30-,31-,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)[C@]4(C)C=O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O5,pos_1_1proton,576.356322636,VYNQRHYSCBDBNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 11934,4752,-1,,,,0.0,MS1_match,JTYUIQIWSMPTDQ-RRWISKKNSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26(39)30-32(3)20-41-35(30,18-24(25)13-15-33(29,34)4)16-14-28(32)36-31(40)23-11-9-8-10-12-23/h8-14,16,21,25-30,39H,15,17-20H2,1-7H3,(H,36,40)/t21-,25+,26-,27+,28-,29-,30-,32+,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O5,pos_1_1proton,576.356322636,JTYUIQIWSMPTDQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,7.0 11935,4752,-1,,,,0.0,MS1_match,VCPJZJYGJJULKC-YWIVKCBASA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-14,16,21,25-30,40H,15,17-20H2,1-7H3,(H,36,39)/t21-,25+,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H]4OC[C@@]5(C)[C@@H](NC(=O)c6ccccc6)C=C[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton,576.356322636,VCPJZJYGJJULKC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,0,7.0 11936,4752,-1,,,,0.0,MS1_match,VCPJZJYGJJULKC-RRWISKKNSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-14,16,21,25-30,40H,15,17-20H2,1-7H3,(H,36,39)/t21-,25+,26-,27+,28-,29-,30-,32+,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)C=C[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton,576.356322636,VCPJZJYGJJULKC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 11937,4752,-1,,,,0.0,MS1_match,QNOJJJBDYRTJIJ-NHKZMATNSA-N,"InChI=1S/C35H48N2O5/c1-20(37(6)7)29-28(42-21(2)38)18-35(5)25-17-27-30-24(15-23(25)13-14-34(29,35)4)16-26(39)31(33(30,3)19-41-27)36-32(40)22-11-9-8-10-12-22/h8-13,16,20,25-31,39H,14-15,17-19H2,1-7H3,(H,36,40)/t20-,25+,26+,27-,28+,29-,30-,31-,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)[C@H](O)C=C(CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45,C35H48N2O5,pos_1_1proton,576.356322636,QNOJJJBDYRTJIJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,7.0 11938,4751,-1,,,,0.47222078,ISDB,HPMZAZCMGAGHFS-SYDZCELUSA-N,"InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8,15,18,20-25,31H,9-14,16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1",C/C=C(\C)C(=O)N[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O,C28H46N2O2,,442.355928712,HPMZAZCMGAGHFS,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,7.888883113861084 11939,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11940,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XBKVZMYBDASNNM-PXJXHGSXSA-N,"InChI=1S/C37H46O10/c1-20-28(47-30(42)16-15-26-13-11-10-12-14-26)17-18-37(9)32(20)33(44-23(4)39)27-19-29(43-22(3)38)21(2)31(36(27,7)8)34(45-24(5)40)35(37)46-25(6)41/h10-16,27-29,32-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,XBKVZMYBDASNNM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11941,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11942,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11943,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VBLNERPSGWCFQJ-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,VBLNERPSGWCFQJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11944,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZJHORUWDAUIHTD-UHFFFAOYSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)33(46-23(4)40)31-21(2)28(48-29(43)18-26(38(9)10)25-14-12-11-13-15-25)16-17-36(31,8)34(47-24(5)41)32(45-22(3)39)30(20)35(37,6)7/h11-15,26,28,31-34,44H,2,16-19H2,1,3-10H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,ZJHORUWDAUIHTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11945,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XQLJYGLHZIUECS-GLESJUERSA-N,"InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@@]132)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.2777975439999,XQLJYGLHZIUECS,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11946,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CVSYBUKGIXQKJN-QFTQROJLSA-N,"InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)32(46-23(4)40)30-21(2)28(48-34(43)26(38(9)10)18-25-14-12-11-13-15-25)16-17-36(30,8)33(47-24(5)41)31(45-22(3)39)29(20)35(37,6)7/h11-15,26,28,30-33,44H,2,16-19H2,1,3-10H3/t26?,28-,30-,31+,32-,33-,36+,37+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H49NO10,pos_1_1proton,667.335646768,CVSYBUKGIXQKJN,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11947,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MIJTXBNFQDJTPL-IKXCWYAJSA-N,"InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/t27-,28-,29?,30?,31?,34?,35?,37-/m0/s1",C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)[C@@]2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)C[C@H](C[C@@H]12)C3(C)C,C37H46O10,pos_1_1proton1ammonium,650.309097672,MIJTXBNFQDJTPL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11948,4750,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZVYBIARXHLUXGT-UHFFFAOYSA-N,"InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C,C35H42O10,pos_1_1proton1ethylamine,622.277797544,ZVYBIARXHLUXGT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11949,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 11950,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 11951,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 11952,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 11953,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 11954,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 11955,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 11956,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 11957,4749,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 11958,4748,-1,,,,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 11959,4746,80,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.26050374,ISDB,,,,,,,SBYSQKKZEWBXAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0420149564743042 11960,4745,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,LAJSXCAVRQXZIO-UHFFFAOYSA-N,"InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3",Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O,C15H12O4,pos_1_1proton,256.073558864,LAJSXCAVRQXZIO,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 11961,4745,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,LAJSXCAVRQXZIO-UHFFFAOYSA-N,"InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3",Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O,C15H12O4,pos_1_1proton,256.073558864,LAJSXCAVRQXZIO,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 11962,4744,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1sodium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11963,4743,1740,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ammonium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 11964,4742,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1potassium,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11965,4742,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11966,4742,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11967,4742,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1potassium,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11968,4741,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,FTFZXPBVBBJTHV-OGJJZOIMSA-N,"InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C19H20O9,pos_1_1proton,392.11073222,FTFZXPBVBBJTHV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,3,7.5 11969,4740,1636,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RCFDCAUSOKKJLW-YRGDSFMKSA-N,"InChI=1S/C23H24O12/c1-8-13(26)12-16(29)21(32-2)19(9-3-5-10(25)6-4-9)34-20(12)22(14(8)27)35-23-18(31)17(30)15(28)11(7-24)33-23/h3-6,11,15,17-18,23-28,30-31H,7H2,1-2H3/t11-,15-,17+,18-,23+/m1/s1",COc1c(-c2ccc(O)cc2)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(C)c(O)c2c1=O,C23H24O12,pos_1_1proton,492.1267762079998,RCFDCAUSOKKJLW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 11970,4739,1895,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.73745424,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.449816942214966 11971,4738,-1,,,,0.0,MS1_match,ZOUZJMBDRBNYLJ-KFTUZQHUSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](OC(C)=O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C31H38O18,pos_1_1proton1ethylamine,698.2058143760001,ZOUZJMBDRBNYLJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 11972,4738,-1,,,,0.0,MS1_match,IIRLJBYCOBQSFR-OPKVVABASA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)11-8-20-6-9-21(37)10-7-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,IIRLJBYCOBQSFR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11973,4738,-1,,,,0.0,MS1_match,XEULPBRTZLSETH-OZNBHJLGSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)27(44-18(4)35)28(45-19(5)36)30(46-22)49-31(14-43-17(3)34)29(26(40)23(48-31)13-42-16(2)33)47-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,XEULPBRTZLSETH,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11974,4738,-1,,,,0.0,MS1_match,YTERZBXYMRSCJV-WWXINNHQSA-N,"InChI=1S/C31H38O18/c1-15(32)41-12-22-25(39)29(47-24(38)10-9-20-7-6-8-21(37)11-20)31(48-22,14-43-17(3)34)49-30-28(45-19(5)36)26(40)27(44-18(4)35)23(46-30)13-42-16(2)33/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b10-9-/t22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C31H38O18,pos_1_1proton1ethylamine,698.205814376,YTERZBXYMRSCJV,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 11975,4737,1783,Polyketides,Cyclic polyketides,Catechols with side chains,0.7158374,ISDB,KFLDXHQJVVNZHY-CNTPUZDVSA-N,"InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-17-18-13-14-19-20(24(25)26)12-11-16-15-21(17)23(18)22(16)19/h2-3,11-14,16-23H,4-10,15H2,1H3,(H,25,26)/b3-2+/t16-,17+,18-,19-,20-,21-,22-,23-/m0/s1",C/C=C/CCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H]4[C@@H]2[C@H]1C[C@@H]4C=C[C@@H]3C(=O)O,C24H34O2,,354.255880328,KFLDXHQJVVNZHY,Polyketides,Cyclic polyketides,,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],4,2,7.863349676132202 11976,4736,2383,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69382596,ISDB,VVFHGZOZXJXSNR-DKBOKBLXSA-N,"InChI=1S/C15H22O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h10-13H,1,4-8H2,2-3H3/t10-,11-,12+,13-,15+/m0/s1",C=C1CCC[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C15H22O2,,234.161979944,VVFHGZOZXJXSNR,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Magnolia kachirachirai,843602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kachirachirai'],7,2,10.775303840637207 11977,4735,-1,,,,0.6389857,ISDB,KSWPMXHTZCMXBJ-SECBINFHSA-N,"InChI=1S/C12H16O/c1-9-4-3-5-10-6-7-11(13-2)8-12(9)10/h6-9H,3-5H2,1-2H3/t9-/m1/s1",COc1ccc2c(c1)[C@H](C)CCC2,C12H16O,,176.120115132,KSWPMXHTZCMXBJ,,,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],4,0,6.55594277381897 11978,4734,-1,,,,0.0,MS1_match,DCXFPVCKNREVLL-POFDWFQXSA-N,"InChI=1S/C29H38O11/c1-3-16(2)28(37)40-27-26(36)25(35)15-38-29(27)39-20(9-5-18-7-11-22(32)24(34)13-18)14-19(30)8-4-17-6-10-21(31)23(33)12-17/h6-7,10-13,16,20,25-27,29,31-36H,3-5,8-9,14-15H2,1-2H3/t16-,20+,25-,26+,27-,29+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1[C@H](O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)CCc2ccc(O)c(O)c2)OC[C@@H](O)[C@@H]1O,C29H38O11,pos_1_1sodium,562.241412036,DCXFPVCKNREVLL,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 11979,4733,1774,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DCXFPVCKNREVLL-POFDWFQXSA-N,"InChI=1S/C29H38O11/c1-3-16(2)28(37)40-27-26(36)25(35)15-38-29(27)39-20(9-5-18-7-11-22(32)24(34)13-18)14-19(30)8-4-17-6-10-21(31)23(33)12-17/h6-7,10-13,16,20,25-27,29,31-36H,3-5,8-9,14-15H2,1-2H3/t16-,20+,25-,26+,27-,29+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1[C@H](O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)CCc2ccc(O)c(O)c2)OC[C@@H](O)[C@@H]1O,C29H38O11,pos_1_1proton1ammonium,562.241412036,DCXFPVCKNREVLL,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 11980,4731,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ATTDURQKMQHLPP-FBBCWWNVSA-N,"InChI=1S/C35H49NO7/c1-20(37)26-13-14-27-25-19-29(41-21(2)38)28-18-24(36(6)7)15-16-34(28,4)31(25)32(33(35(26,27)5)42-22(3)39)43-30(40)17-23-11-9-8-10-12-23/h8-12,24-29,31-33H,13-19H2,1-7H3/t24-,25-,26+,27-,28+,29+,31+,32-,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(=O)Cc2ccccc2)[C@H]2[C@@H](C[C@@H](OC(C)=O)[C@H]3C[C@@H](N(C)C)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@@]12C,C35H49NO7,pos_1_1proton1acetonitrile,595.350902908,ATTDURQKMQHLPP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,3,7.5 11981,4730,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,pos_1_1proton,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11982,4730,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,pos_1_1proton,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 11983,4728,-1,,,,0.52829105,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.113164186477661 11984,4725,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5464937,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.685974836349487 11985,4722,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.37658104,ISDB,XMLWGUKRPGLJGA-CABCVRRESA-N,"InChI=1S/C21H24O7/c1-25-17-8-12(4-5-16(17)22)6-14-11-28-21(24)15(14)7-13-9-18(26-2)20(23)19(10-13)27-3/h4-5,8-10,14-15,22-23H,6-7,11H2,1-3H3/t14-,15+/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O,C21H24O7,,388.1522031079999,XMLWGUKRPGLJGA,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],5,3,8.006324172019958 11986,4721,615,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.70063376,ISDB,AENSHGKORGDOBI-SAVHIDLTSA-N,"InChI=1S/C23H35NO2/c1-14-18-7-8-20-17-6-5-15-13-16(24(3)4)9-11-22(15,2)19(17)10-12-23(18,20)21(25)26-14/h5,14,16-20H,6-13H2,1-4H3/t14-,16-,17-,18-,19+,20+,22+,23+/m1/s1",C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@H]13,C23H35NO2,,357.26677936,AENSHGKORGDOBI,Terpenoids,Steroids,Pregnane steroids,Kibatalia laurifolia,5536257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Kibatalia'],['Kibatalia laurifolia'],4,0,6.802535057067871 11987,4721,615,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.70063376,ISDB,AENSHGKORGDOBI-UHFFFAOYSA-N,"InChI=1S/C23H35NO2/c1-14-18-7-8-20-17-6-5-15-13-16(24(3)4)9-11-22(15,2)19(17)10-12-23(18,20)21(25)26-14/h5,14,16-20H,6-13H2,1-4H3",CC1OC(=O)C23CCC4C(CC=C5CC(N(C)C)CCC54C)C2CCC13,C23H35NO2,,357.26677936,AENSHGKORGDOBI,Terpenoids,Steroids,Pregnane steroids,Kibatalia macrophylla,320563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Kibatalia'],['Kibatalia macrophylla'],4,0,6.802535057067871 11988,4720,155,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.29797167,ISDB,BRGSDABMUAIXHJ-JIXSKCAHSA-N,"InChI=1S/C33H52N2O4/c1-10-20(2)30(38)34-28-14-11-23-17-24-15-16-32(6)29(21(3)35(8)9)27(39-22(4)37)18-33(32,7)26(24)13-12-25(23)31(28,5)19-36/h10,15,17,21,25-29,36H,11-14,16,18-19H2,1-9H3,(H,34,38)/b20-10+/t21-,25+,26+,27+,28-,29-,31+,32+,33-/m0/s1",C/C=C(\C)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@@]1(C)CO,C33H52N2O4,,540.392708144,BRGSDABMUAIXHJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,10.69188666343689 11989,4719,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WQJGXMIIUOPURY-OROJKWBISA-N,"InChI=1S/C27H44N2O/c1-18(29(5)6)21-12-14-27(4)23-9-8-22-19(15-20(23)11-13-26(21,27)3)7-10-24-25(22,2)16-30-17-28-24/h11,15,18,21-24,28H,7-10,12-14,16-17H2,1-6H3/t18-,21+,22+,23+,24-,25-,26+,27-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@]14C)N(C)C,C27H44N2O,pos_1_1proton1isopropanol,412.345364028,WQJGXMIIUOPURY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11990,4719,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DLPHGNHSDIDDPI-KBVVDYDXSA-N,"InChI=1S/C27H44N2O/c1-17-24-22(30-16-29(17)7)15-27(5)21-10-9-20-18(8-11-23(28-6)25(20,2)3)14-19(21)12-13-26(24,27)4/h12,14,17,20-24,28H,8-11,13,15-16H2,1-7H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]5[C@@H](C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)OCN(C)[C@H]5C,C27H44N2O,pos_1_1proton1isopropanol,412.345364028,DLPHGNHSDIDDPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11991,4719,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PKXJWGJRRLLOMM-LCQYJTQBSA-N,"InChI=1S/C27H44N2O/c1-17(29-18(2)30)21-13-15-27(6)23-10-9-22-19(8-11-24(28-7)25(22,3)4)16-20(23)12-14-26(21,27)5/h12,16-17,21-24,28H,8-11,13-15H2,1-7H3,(H,29,30)/t17-,21+,22-,23+,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)NC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@H]2C1(C)C,C27H44N2O,pos_1_1proton1isopropanol,412.345364028,PKXJWGJRRLLOMM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11992,4719,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DJDRIWQODSGIRC-OPSLWGRGSA-N,"InChI=1S/C29H48N2O/c1-19(30(6)7)23-14-16-29(5)25-11-10-24-21(17-22(25)13-15-28(23,29)4)9-12-26-27(24,3)18-32-20(2)31(26)8/h13,17,19-20,23-26H,9-12,14-16,18H2,1-8H3/t19-,20-,23+,24+,25+,26-,27-,28+,29-/m0/s1",C[C@@H]1OC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@]5(C)[C@@H]([C@H](C)N(C)C)CC[C@@]45C)C=C3CC[C@@H]2N1C,C29H48N2O,pos_1_1proton1methanol,440.376664156,DJDRIWQODSGIRC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11993,4719,127,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVQXQFGAJCSURO-ZUHWRNQPSA-N,"InChI=1S/C30H52N2O2/c1-19(2)26(33)31-25-14-17-30(34)18-21-12-15-28(6)22(20(3)32(8)9)13-16-29(28,7)23(21)10-11-24(30)27(25,4)5/h12,19-20,22-25,34H,10-11,13-18H2,1-9H3,(H,31,33)/t20-,22+,23+,24-,25-,28+,29-,30-/m0/s1",CC(C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C30H52N2O2,pos_1_1proton,472.402878904,UVQXQFGAJCSURO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 11994,4717,-1,,,,0.8434439,ISDB,WBCUBYSFPZJBSU-PHJVOLQISA-N,"InChI=1S/C17H24O4/c1-5-19-17-9-16-13(20-16)7-6-10(2)15(16,4)8-12(17)11(3)14(18)21-17/h10,13H,5-9H2,1-4H3/t10-,13+,15+,16+,17+/m0/s1",CCO[C@@]12C[C@@]34O[C@@H]3CC[C@H](C)[C@@]4(C)CC1=C(C)C(=O)O2,C17H24O4,,292.167459248,WBCUBYSFPZJBSU,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio gallicus,962474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio gallicus'],3,0,6.373775482177734 11995,4715,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_1_1proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 11996,4714,-1,,,,0.0,MS1_match,VKLPDVPDTDIJKC-POFHNINGSA-N,"InChI=1S/C33H34O15/c1-11-7-13-14(34)3-4-15(35)23(13)28(41)22(11)21-12(2)8-17(37)24-19(6-5-16(36)25(21)24)47-33-31(44)29(42)27(40)20(48-33)10-46-32-30(43)26(39)18(38)9-45-32/h3-8,18,20,26-27,29-33,36-44H,9-10H2,1-2H3/t18-,20-,26+,27-,29+,30-,31-,32+,33-/m1/s1",Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc(O)c13)C(=O)C=CC2=O,C33H34O15,pos_1_1sodium,670.189770388,VKLPDVPDTDIJKC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Diospyros lycioides,978884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Royena'],['Royena lycioides'],6,0,6.0 11997,4714,-1,,,,0.0,MS1_match,SZKSYABHAXDRDG-POFHNINGSA-N,"InChI=1S/C33H34O15/c1-11-7-13-14(34)5-6-19(23(13)28(41)22(11)21-12(2)8-17(37)24-15(35)3-4-16(36)25(21)24)47-33-31(44)29(42)27(40)20(48-33)10-46-32-30(43)26(39)18(38)9-45-32/h3-8,18,20,26-27,29-34,37-44H,9-10H2,1-2H3/t18-,20-,26+,27-,29+,30-,31-,32+,33-/m1/s1",Cc1cc(O)c2c(c1-c1c(C)cc3c(O)ccc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c3c1O)C(=O)C=CC2=O,C33H34O15,pos_1_1sodium,670.189770388,SZKSYABHAXDRDG,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Diospyros lycioides,978884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Royena'],['Royena lycioides'],6,0,6.0 11998,4713,940,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,VKLPDVPDTDIJKC-POFHNINGSA-N,"InChI=1S/C33H34O15/c1-11-7-13-14(34)3-4-15(35)23(13)28(41)22(11)21-12(2)8-17(37)24-19(6-5-16(36)25(21)24)47-33-31(44)29(42)27(40)20(48-33)10-46-32-30(43)26(39)18(38)9-45-32/h3-8,18,20,26-27,29-33,36-44H,9-10H2,1-2H3/t18-,20-,26+,27-,29+,30-,31-,32+,33-/m1/s1",Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc(O)c13)C(=O)C=CC2=O,C33H34O15,pos_1_1proton1ammonium,670.189770388,VKLPDVPDTDIJKC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Diospyros lycioides,978884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Royena'],['Royena lycioides'],6,3,7.5 11999,4713,940,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,SZKSYABHAXDRDG-POFHNINGSA-N,"InChI=1S/C33H34O15/c1-11-7-13-14(34)5-6-19(23(13)28(41)22(11)21-12(2)8-17(37)24-15(35)3-4-16(36)25(21)24)47-33-31(44)29(42)27(40)20(48-33)10-46-32-30(43)26(39)18(38)9-45-32/h3-8,18,20,26-27,29-34,37-44H,9-10H2,1-2H3/t18-,20-,26+,27-,29+,30-,31-,32+,33-/m1/s1",Cc1cc(O)c2c(c1-c1c(C)cc3c(O)ccc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c3c1O)C(=O)C=CC2=O,C33H34O15,pos_1_1proton1ammonium,670.189770388,SZKSYABHAXDRDG,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Diospyros lycioides,978884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Royena'],['Royena lycioides'],6,3,7.5 12000,4712,940,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.22456227,ISDB,IFNYXORISMJQJH-CUPNMTIGSA-N,"InChI=1S/C28H26O11/c29-11-19-24(35)25(36)26(37)28(39-19)21-23(34)16(9-12-1-5-14(30)6-2-12)22(33)20-17(32)10-18(38-27(20)21)13-3-7-15(31)8-4-13/h1-8,10,19,24-26,28-31,33-37H,9,11H2/t19-,24-,25+,26-,28+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(Cc3ccc(O)cc3)c(O)c12,C28H26O11,,538.147511652,IFNYXORISMJQJH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Citrullus colocynthis,677069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Citrullus'],['Citrullus colocynthis'],4,0,4.898249089717865 12001,4711,475,Polyketides,Naphthalenes,Naphthoquinones,0.86605144,ISDB,YJYNIQQTZMGISK-UHFFFAOYSA-N,"InChI=1S/C22H16O6/c1-9-7-15(25)19-13(23)5-3-11(17(19)21(9)27)12-4-6-14(24)20-16(26)8-10(2)22(28)18(12)20/h3-7,10,23-24H,8H2,1-2H3",CC1=CC(=O)c2c(O)ccc(-c3ccc(O)c4c3C(=O)C(C)CC4=O)c2C1=O,C22H16O6,,376.094688232,YJYNIQQTZMGISK,Polyketides,Naphthalenes,Naphthoquinones,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],7,3,11.964205741882324 12002,4710,-1,,,,0.9039621,ISDB,IBBJBVLTEQHUQV-ZUDQDPCPSA-N,"InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@H]5C,C27H46N2O,,414.361014092,IBBJBVLTEQHUQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.615848302841187 12003,4707,-1,,,,0.0,MS1_match,SFKYGNQGJSKDTB-VOFPXKNKSA-N,"InChI=1S/C22H22O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-9,17,19-23,25-27H,10H2,1H3/t17-,19-,20+,21-,22+/m1/s1",COc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccccc3)oc2c1,C22H22O9,pos_1_1sodium,430.126382284,SFKYGNQGJSKDTB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12004,4706,-1,,,,0.0,MS1_match,SFKYGNQGJSKDTB-VOFPXKNKSA-N,"InChI=1S/C22H22O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-9,17,19-23,25-27H,10H2,1H3/t17-,19-,20+,21-,22+/m1/s1",COc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccccc3)oc2c1,C22H22O9,pos_1_1proton,430.126382284,SFKYGNQGJSKDTB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12005,4705,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12006,4705,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12007,4705,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12008,4705,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12009,4705,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12010,4705,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12011,4705,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12012,4705,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12013,4704,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 12014,4704,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 12015,4704,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 12016,4704,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 12017,4704,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 12018,4704,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 12019,4703,166,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.776396,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,10.105583906173706 12020,4701,-1,,,,0.5921788,ISDB,SMKZFVZXPZJPFK-RYNJIZPOSA-N,"InChI=1S/C25H41NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-18,20,26-27H,7-14H2,1-6H3/t15-,16-,17+,18+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C,C25H41NO2,,387.313729552,SMKZFVZXPZJPFK,Terpenoids,Steroids,Pregnane steroids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,9.368715286254883 12021,4700,345,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,0.0,MS1_match,UNPHDVLMOFWPKV-VEDVJMMMSA-N,"InChI=1S/C24H34O9/c1-10(2)23-8-14(32-12(4)25)11(3)17(23)18(29)20(30)22(6)15(27)7-16(28)24(33-13(5)26)9-31-21(23)19(22)24/h14-16,18-21,27-30H,1,7-9H2,2-6H3/t14-,15-,16-,18+,19-,20-,21-,22+,23-,24-/m0/s1",C=C(C)[C@@]12C[C@H](OC(C)=O)C(C)=C1[C@@H](O)[C@H](O)[C@@]1(C)[C@@H]3[C@@H]2OC[C@]3(OC(C)=O)[C@@H](O)C[C@@H]1O,C24H34O9,pos_1_1proton1ethylamine,466.220282668,UNPHDVLMOFWPKV,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 12022,4699,-1,,,,0.36530682,ISDB,WRFFVEBPEFMIOA-XAKKHSPKSA-N,"InChI=1S/C26H36O8/c1-13-6-7-17-24(3,4)18(28)8-9-25(17,5)16(13)11-26-19(29)10-15(21(31)22(26)34-26)12-33-23(32)20(30)14(2)27/h10,14,16-17,20-22,27,30-31H,1,6-9,11-12H2,2-5H3/t14-,16-,17-,20+,21+,22-,25+,26+/m0/s1",C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(COC(=O)[C@H](O)[C@H](C)O)=CC2=O,C26H36O8,,476.241018112,WRFFVEBPEFMIOA,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Trichoderma,891848.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Acanthomorphata'],['Monacanthidae'],['Unknown'],['Amanses'],['Unknown'],1,0,2.461227297782898 12023,4698,2675,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.47705695,ISDB,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.408227801322937 12024,4697,-1,,,,0.5751517,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,9.300606727600098 12025,4696,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KZNJMVNXYDZENT-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(42)16-15-25-13-11-10-12-14-25)18-29(46-22(4)39)36(9)31(19)32(47-23(5)40)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)33(43)34(36)48-24(6)41/h10-16,26-27,29,31-34,43-44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ammonium,682.2989269119998,KZNJMVNXYDZENT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12026,4696,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HDCVJVBXAPXPOQ-NKJCUGKCSA-N,"InChI=1S/C37H46O12/c1-20-30(45-22(3)39)17-28-29(43)16-27(19-38)32(49-33(44)15-14-26-12-10-9-11-13-26)18-31(46-23(4)40)21(2)35(47-24(5)41)36(48-25(6)42)34(20)37(28,7)8/h9-16,28-32,36,38,43H,17-19H2,1-8H3/b15-14+,27-16+,35-21-/t28-,29-,30-,31-,32-,36+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C37H46O12,pos_1_1proton1ammonium,682.298926912,HDCVJVBXAPXPOQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12027,4696,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FIUCYFQSNWIGHE-SDRLVIIESA-N,"InChI=1S/C37H46O12/c1-20-29(42)18-32(49-33(44)15-14-26-12-10-9-11-13-26)27(19-45-22(3)38)16-30(43)28-17-31(46-23(4)39)21(2)34(37(28,7)8)36(48-25(6)41)35(20)47-24(5)40/h9-16,28-32,36,42-43H,17-19H2,1-8H3/b15-14+,27-16+,35-20-/t28-,29+,30+,31+,32+,36-/m1/s1",CC(=O)OC/C1=C\[C@H](O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C37H46O12,pos_1_1proton1ammonium,682.298926912,FIUCYFQSNWIGHE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12028,4696,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DBZFNHBVCLHAHY-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(43)16-15-25-13-11-10-12-14-25)18-29(42)36(9)31(19)32(46-22(4)39)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)34(48-24(6)41)33(36)47-23(5)40/h10-16,26-27,29,31-34,42,44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ammonium,682.298926912,DBZFNHBVCLHAHY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 12029,4695,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 12030,4695,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 12031,4694,804,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.23768893,ISDB,VPHZQTMMIZNNMH-DHVWHUDASA-N,"InChI=1S/C32H32O13/c1-14-26(38)25-21(36)12-22(19-11-18(34)8-9-20(19)35)43-31(25)15(2)30(14)45-32-29(41)28(40)27(39)23(44-32)13-42-24(37)10-5-16-3-6-17(33)7-4-16/h3-11,22-23,27-29,32-35,38-41H,12-13H2,1-2H3/b10-5+/t22-,23+,27+,28-,29+,32-/m0/s1",Cc1c(O)c2c(c(C)c1O[C@@H]1O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]1O)O[C@H](c1cc(O)ccc1O)CC2=O,C32H32O13,,624.184291084,VPHZQTMMIZNNMH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Myrcia multiflora,87267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Myrcia'],['Myrcia multiflora'],3,3,5.450755715370178 12032,4691,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,10.5 12033,4691,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 12034,4689,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6782395,ISDB,OZVSXKKOLMOAHF-RAUXBKROSA-N,"InChI=1S/C26H37NO/c1-7-8-9-10-21-27-25-18(6)23-19(13-15(2)3)14-17(5)20-12-11-16(4)22(24(20)23)26(25)28-21/h13,16-17,19-20H,7-12,14H2,1-6H3/t16-,17-,19+,20+/m0/s1",CCCCCc1nc2c(C)c3c4c(c2o1)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C,C26H37NO,,379.287514804,OZVSXKKOLMOAHF,Terpenoids,Diterpenoids,Amphilectane diterpenoids,Antillogorgia elisabethae,1079564.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Antillogorgia'],['Antillogorgia elisabethae'],1,0,3.7129580974578857 12035,4686,-1,,,,0.0,MS1_match,OEILOTGAQMBLQQ-HEOSAPDRSA-N,"InChI=1S/C28H30O10/c1-17(29)35-11-7-8-22-14-28(38-20(4)32)27(34-6)15-24(22)23(16-36-18(2)30)12-21-9-10-25(37-19(3)31)26(13-21)33-5/h7-10,12-15H,11,16H2,1-6H3/b8-7+,23-12+",COc1cc(/C=C(\COC(C)=O)c2cc(OC)c(OC(C)=O)cc2/C=C/COC(C)=O)ccc1OC(C)=O,C28H30O10,pos_1_1proton1ethylamine,526.18389716,OEILOTGAQMBLQQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,0,6.0 12036,4686,-1,,,,0.0,MS1_match,APTNLHJOYOLQJB-PSWAGMNNSA-N,"InChI=1S/C28H34O10/c1-17(29)35-15-23(11-21-7-9-25(37-19(3)31)27(13-21)33-5)24(16-36-18(2)30)12-22-8-10-26(38-20(4)32)28(14-22)34-6/h7-10,13-14,23-24H,11-12,15-16H2,1-6H3/t23-,24+",COc1cc(C[C@@H](COC(C)=O)[C@@H](COC(C)=O)Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O,C28H34O10,pos_1_1proton1acetonitrile,530.215197288,APTNLHJOYOLQJB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,0,6.0 12037,4686,-1,,,,0.0,MS1_match,APTNLHJOYOLQJB-PSWAGMNNSA-N,"InChI=1S/C28H34O10/c1-17(29)35-15-23(11-21-7-9-25(37-19(3)31)27(13-21)33-5)24(16-36-18(2)30)12-22-8-10-26(38-20(4)32)28(14-22)34-6/h7-10,13-14,23-24H,11-12,15-16H2,1-6H3/t23-,24+",COc1cc(C[C@@H](COC(C)=O)[C@@H](COC(C)=O)Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O,C28H34O10,pos_1_1proton1acetonitrile,530.215197288,APTNLHJOYOLQJB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,0,6.0 12038,4685,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 12039,4685,-1,,,,0.0,MS1_match,FPDDUPUDFYVZHW-QOOKETHRSA-N,"InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1",CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@]3(CC1)OO2,C20H30O5,pos_1_1sodium,350.2093240599999,FPDDUPUDFYVZHW,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 12040,4685,-1,,,,0.0,MS1_match,WUQPRORIWOLFIJ-LDAFWVPBSA-N,"InChI=1S/C20H30O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13,15-16,22,25H,5-9H2,1-4H3,(H,23,24)/t13-,15+,16-,18+,19+,20+/m0/s1",CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O5,pos_1_1sodium,350.2093240599999,WUQPRORIWOLFIJ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 12041,4685,-1,,,,0.0,MS1_match,LJGDAAVEUMVPOP-CWYSQHEVSA-N,"InChI=1S/C20H30O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13,15,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,15+,18+,19+,20+/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O5,pos_1_1sodium,350.20932406,LJGDAAVEUMVPOP,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 12042,4683,-1,,,,0.40205693,ISDB,PJYYBCXMCWDUAZ-JJJZTNILSA-N,"InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,,464.3137891279999,PJYYBCXMCWDUAZ,Terpenoids,Steroids,Ecdysteroids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,7.608227729797363 12043,4683,-1,,,,0.40205693,ISDB,PJYYBCXMCWDUAZ-JJJZTNILSA-N,"InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,,464.3137891279999,PJYYBCXMCWDUAZ,Terpenoids,Steroids,Ecdysteroids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,7.608227729797363 12044,4683,-1,,,,0.40205693,ISDB,PJYYBCXMCWDUAZ-JJJZTNILSA-N,"InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,,464.3137891279999,PJYYBCXMCWDUAZ,Terpenoids,Steroids,Ecdysteroids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,0,7.608227729797363 12045,4683,-1,,,,0.40205693,ISDB,PJYYBCXMCWDUAZ-JJJZTNILSA-N,"InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1",CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,,464.3137891279999,PJYYBCXMCWDUAZ,Terpenoids,Steroids,Ecdysteroids,Taxus floridana,1089675.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus floridana'],6,0,7.608227729797363 12046,4683,-1,,,,0.40205693,ISDB,PJYYBCXMCWDUAZ-UHFFFAOYSA-N,"InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3",CC(C)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,C27H44O6,,464.3137891279999,PJYYBCXMCWDUAZ,Terpenoids,Steroids,Ecdysteroids,Taxus cuspidata var. nana,1028751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,7.608227729797363 12047,4682,-1,,,,0.0,MS1_match,LHWHLFUHAJFVBX-FSNPHTBRSA-N,"InChI=1S/C20H30O6/c1-17(2,25)20(26)10-11-12(8-15(20)22)18(3)6-5-7-19(4,16(23)24)14(18)9-13(11)21/h10,12,14-15,22,25-26H,5-9H2,1-4H3,(H,23,24)/t12-,14+,15-,18+,19+,20-/m0/s1",CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2C[C@@H]1O,C20H30O6,pos_1_1sodium,366.20423868,LHWHLFUHAJFVBX,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,0,6.0 12048,4681,-1,,,,0.748198,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.992791891098022 12049,4678,2876,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.6774791,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.209916353225708 12050,4675,2133,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,DLMNMDWSPBXDSA-GACAOOTDSA-N,"InChI=1S/C35H54N2O6/c1-20(37(5)6)28-22(39)17-33(4)26-10-9-25-31(2,19-38)27(11-12-34(25)18-35(26,34)14-13-32(28,33)3)36-30(41)21-15-23(42-7)29(40)24(16-21)43-8/h15-16,20,22,25-28,38-40H,9-14,17-19H2,1-8H3,(H,36,41)/t20-,22+,25-,26-,27-,28-,31-,32+,33-,34+,35-/m0/s1",COc1cc(C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C35H54N2O6,pos_1_1proton,598.3981874479999,DLMNMDWSPBXDSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 12051,4674,-1,,,,0.4811856,ISDB,RXLGMGRGCDFDRC-HLAUOVNOSA-N,"InChI=1S/C35H50N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-13,21,25-30,40H,14-20H2,1-7H3,(H,36,39)/t21-,25-,26+,27-,28+,29+,30+,32-,33-,34+,35-/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)CC[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@@H](C)N(C)C)[C@@H]45,C35H50N2O5,,578.3719727,RXLGMGRGCDFDRC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,0,8.924742341041565 12052,4673,2362,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,UJGXCOFZMJCRLN-YDDBCJSBSA-N,"InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17+,18+,19-,20+,21+,22+,23-/m1/s1",C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H39NO,pos_1_1proton1isopropanol,345.303164868,UJGXCOFZMJCRLN,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12053,4671,955,Polyketides,Sesquiterpenoids,Abietane diterpenoids,0.4342831,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,8.7371324300766 12054,4671,955,Polyketides,Sesquiterpenoids,Abietane diterpenoids,0.4342831,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,8.7371324300766 12055,4670,717,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.5944427,ISDB,XGCHWRRIHYVQRO-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-6-7(12)3-4-8-11(6)9(14-2)5-10(13)15-8/h3-5,12H,1-2H3",COc1cc(=O)oc2ccc(O)c(C)c12,C11H10O4,,206.0579088,XGCHWRRIHYVQRO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Gerbera jamesonii,1021698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Gerbera'],['Gerbera jamesonii'],3,3,6.877770900726318 12056,4670,717,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.5944427,ISDB,XGCHWRRIHYVQRO-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-6-7(12)3-4-8-11(6)9(14-2)5-10(13)15-8/h3-5,12H,1-2H3",COc1cc(=O)oc2ccc(O)c(C)c12,C11H10O4,,206.0579088,XGCHWRRIHYVQRO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Glaucidium palmatum,889044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Glaucidium'],['Glaucidium palmatum'],3,3,6.877770900726318 12057,4669,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12058,4668,-1,,,,0.3723328,ISDB,DKMGVACNAAKVRR-MRBSYODNSA-N,"InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+",CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,DKMGVACNAAKVRR,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.489331245422363 12059,4666,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],6,3,7.5 12060,4666,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 12061,4666,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 12062,4666,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],6,3,7.5 12063,4666,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 12064,4666,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 12065,4666,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 12066,4664,759,Alkaloids,Ornithine alkaloids,Polyamines,0.36782548,ISDB,,,,,,,PWXWJHMLUXVJPG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4713019132614136 12067,4661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12068,4661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12069,4661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12070,4661,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12071,4660,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton1methanol,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,1,9.5 12072,4659,955,Polyketides,Sesquiterpenoids,Abietane diterpenoids,0.4933777,ISDB,KPPSMCABJGUZGW-HYXAFXHYSA-N,"InChI=1S/C24H32O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h3,5,9,12-13,15-16,18-20,25-26H,1-2,4,6-8,10-11,14,17H2/b5-3-",Oc1cc(O)cc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O2,,352.240230264,KPPSMCABJGUZGW,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,1,6.4735107421875 12073,4658,1523,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.3936884,ISDB,GGGSEBXTKMTNBW-CQSZACIVSA-N,"InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2/t14-/m1/s1",Oc1cc2c(cc1O)[C@@H](Cc1ccccc1)NCC2,C16H17NO2,,255.125928784,GGGSEBXTKMTNBW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],4,2,6.574753642082214 12074,4657,-1,,,,0.2721001,ISDB,BRRIQKRUEWKTLZ-ZIWQVPDVSA-N,"InChI=1S/C40H49N5O10/c1-24(2)18-19-55-31-16-12-29(13-17-31)21-33(40(53)54)45-37(50)26(4)42-38(51)32(20-28-10-14-30(46)15-11-28)44-35(48)23-41-36(49)25(3)43-39(52)34(47)22-27-8-6-5-7-9-27/h5-18,25-26,32-34,46-47H,19-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,52)(H,44,48)(H,45,50)(H,53,54)/t25-,26+,32+,33+,34-/m0/s1",CC(C)=CCOc1ccc(C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc2ccccc2)C(=O)O)cc1,C40H49N5O10,,759.347942768,BRRIQKRUEWKTLZ,Amino acids and Peptides,Oligopeptides,Linear peptides,Paecilomyces cinnamomeus,5310725.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Paecilomyces'],['Paecilomyces cinnamomeus'],1,0,2.088400363922119 12075,4656,2341,Terpenoids,Diterpenoids,Labdane diterpenoids,0.5510947,ISDB,ZAWCPGMKVKTLKI-KVPLUYHFSA-N,"InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5,12-13,16-17H,4,6-11,14H2,1-3H3/t16-,17+,19-,20+/m0/s1",CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2CC=C(C=O)CC=O,C20H30O3,,318.21949482,ZAWCPGMKVKTLKI,Terpenoids,Diterpenoids,Labdane diterpenoids,Platycladus orientalis,61760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Platycladus'],['Platycladus orientalis'],5,3,8.704378843307495 12076,4654,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JHPBZGSKESVROC-IGIVFXLZSA-N,"InChI=1S/C37H46O13/c1-18-26(45-19(2)38)15-25-30(49-34(43)24-13-11-10-12-14-24)32-36(9,27(46-20(3)39)16-28-37(32,17-44-28)50-23(6)42)33(48-22(5)41)31(47-21(4)40)29(18)35(25,7)8/h10-14,25-28,30-33H,15-17H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33-,36+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C37H46O13,pos_1_1proton1ethylamine,698.293841532,JHPBZGSKESVROC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12077,4653,-1,,,,0.55088943,ISDB,WCEJGDDNAALKSS-UHFFFAOYSA-N,"InChI=1S/C20H28O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h8,11-13,21H,6-7,9-10H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2,C20H28O,,284.214015516,WCEJGDDNAALKSS,Terpenoids,Diterpenoids,Abietane diterpenoids,Cephalotaxus harringtonia,10224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Cephalotaxus'],['Cephalotaxus harringtonia'],5,0,7.203557729721069 12078,4652,-1,,,,0.0,MS1_match,MALVGAXITHSCSM-POROUQKLSA-N,"InChI=1S/C30H36O8/c1-16-21(38-22(33)12-11-18-9-7-6-8-10-18)13-14-28(5)25(36)26(37-17(2)31)30-24(35)20(32)15-19(27(30,3)4)23(34)29(16,28)30/h6-12,19,21,23-26,34-36H,1,13-15H2,2-5H3/b12-11+/t19-,21-,23+,24+,25-,26-,28-,29+,30+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](O)C(=O)C[C@@H]([C@@H](O)[C@@]132)C4(C)C,C30H36O8,pos_1_1proton1acetonitrile,524.241018112,MALVGAXITHSCSM,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 12079,4651,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,BIRUBGLRQLAEFF-UHFFFAOYSA-N,"InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,C31H62O2,pos_2_2sodium,466.474981224,BIRUBGLRQLAEFF,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 12080,4648,-1,,,,0.7737422,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus neoniveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,4.094968795776367 12081,4648,-1,,,,0.7737422,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus niveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,4.094968795776367 12082,4646,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 12083,4646,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FKAOWOSRYSMEBS-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",COc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 12084,4646,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 12085,4646,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FKAOWOSRYSMEBS-ZDUSSCGKSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",COc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 12086,4646,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,HMUJXQRRKBLVOO-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 12087,4645,-1,,,,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_2MNa,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12088,4645,-1,,,,0.0,MS1_match,BZGHUZGALXIEBL-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3",COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccccc1)CC2=O,C22H24O10,pos_2MNa,448.136946968,BZGHUZGALXIEBL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12089,4645,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_2MNa,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12090,4645,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_2MNa,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12091,4644,-1,,,,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1proton,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12092,4644,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-UHFFFAOYSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)",COc1cc(C=CC(=O)O)cc(OC)c1O,C11H12O5,pos_2MH,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12093,4644,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1proton,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12094,4644,-1,,,,0.0,MS1_match,BZGHUZGALXIEBL-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3",COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccccc1)CC2=O,C22H24O10,pos_1_1proton,448.136946968,BZGHUZGALXIEBL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12095,4644,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1proton,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12096,4643,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.46144694,ISDB,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,10.345787763595581 12097,4642,-1,,,,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1sodium,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 12098,4642,-1,,,,0.0,MS1_match,BZGHUZGALXIEBL-NTTVFSEDSA-N,"InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3/t13-,15-,17-,18+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O,C22H24O10,pos_1_1sodium,448.136946968,BZGHUZGALXIEBL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 12099,4642,-1,,,,0.0,MS1_match,BZGHUZGALXIEBL-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3",COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccccc1)CC2=O,C22H24O10,pos_1_1sodium,448.136946968,BZGHUZGALXIEBL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12100,4642,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1sodium,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 12101,4642,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1sodium,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12102,4642,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1potassium,432.163161716,LLEMMFPELBNINR,,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12103,4642,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1sodium,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12104,4642,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1sodium,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 12105,4642,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-UHFFFAOYSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)",COc1cc(C=CC(=O)O)cc(OC)c1O,C11H12O5,pos_2MNa,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12106,4642,-1,,,,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1sodium,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12107,4642,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-UHFFFAOYSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)",COc1cc(C=CC(=O)O)cc(OC)c1O,C11H12O5,pos_2MNa,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 12108,4640,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5636495,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.754597902297974 12109,4637,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,FTFZXPBVBBJTHV-OGJJZOIMSA-N,"InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C19H20O9,pos_1_1proton,392.11073222,FTFZXPBVBBJTHV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,3,7.5 12110,4636,1124,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28426713,ISDB,MXPXAZNVQUWDFH-NSISKUIASA-N,"InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1",CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O4,,330.18310931199994,MXPXAZNVQUWDFH,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,2,8.137068510055542 12111,4635,1830,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.53392386,ISDB,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],4,3,7.635695457458496 12112,4633,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.41168386,ISDB,OCTCQOBNUIMMMN-MGUQSTJXSA-N,"InChI=1S/C35H58O9/c1-30(2)14-19-18-8-9-22-32(5)12-11-23(37)31(3,4)21(32)10-13-33(22,6)34(18,7)15-24(38)35(19,28(42)27(30)41)17-43-29-26(40)25(39)20(16-36)44-29/h8,19-29,36-42H,9-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,25-,26-,27-,28-,29+,32-,33+,34+,35-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C35H58O9,,622.408083436,OCTCQOBNUIMMMN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Planchonia careya,3901629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Planchonia'],['Planchonia careya'],4,1,6.146735429763794 12113,4632,-1,,,,0.0,MS1_match,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,pos_1_1proton,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 12114,4631,254,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,0.6022335,ISDB,PEBQSWUQULBCGF-SFOAYJPGSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3/b22-19-/t13-,15-,16-,17+,18-,20-,21+,25+/m0/s1",CC1=C[C@@H]2CCC[C@H](C)[C@H]2[C@H](/C(O)=C2\C(=O)[C@@H](C(C)C)N(C)C2=O)[C@H]1[C@]1(C)O[C@H]1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,3,4.908934116363525 12115,4631,254,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,0.6022335,ISDB,PEBQSWUQULBCGF-SFOAYJPGSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3/b22-19-/t13-,15-,16-,17+,18-,20-,21+,25+/m0/s1",CC1=C[C@@H]2CCC[C@H](C)[C@H]2[C@H](/C(O)=C2\C(=O)[C@@H](C(C)C)N(C)C2=O)[C@H]1[C@]1(C)O[C@H]1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,3,4.908934116363525 12116,4631,254,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,0.6022335,ISDB,PEBQSWUQULBCGF-UHFFFAOYSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3",CC1=CC2CCCC(C)C2C(C(O)=C2C(=O)C(C(C)C)N(C)C2=O)C1C1(C)OC1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys,4059636.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Unknown'],1,3,4.908934116363525 12117,4628,2705,Alkaloids,Sesquiterpenoids,Illudalane sesquiterpenoids,0.2862155,ISDB,VUHCEJPYCQSKEW-PBVIGIQOSA-N,"InChI=1S/C15H23NO4/c1-9-5-10(2)15(20)12(6-9)4-3-11(7-13(16)17)8-14(18)19/h4,9-11H,3,5-8H2,1-2H3,(H2,16,17)(H,18,19)/b12-4+/t9-,10-,11-/m0/s1",C[C@@H]1C/C(=C\C[C@@H](CC(N)=O)CC(=O)O)C(=O)[C@@H](C)C1,C15H23NO4,,281.162708216,VUHCEJPYCQSKEW,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,1.6448620557785034 12118,4627,2705,Alkaloids,Sesquiterpenoids,Illudalane sesquiterpenoids,0.52114165,ISDB,XHCCHLDFCJSAGA-CYBMUJFWSA-N,"InChI=1S/C15H20O4/c1-8-10(4-5-16)9(7-17)6-11-12(8)14(19)15(2,3)13(11)18/h6,13,16-18H,4-5,7H2,1-3H3/t13-/m1/s1",Cc1c(CCO)c(CO)cc2c1C(=O)C(C)(C)[C@@H]2O,C15H20O4,,264.13615912,XHCCHLDFCJSAGA,Terpenoids,Sesquiterpenoids,Illudalane sesquiterpenoids,Pteris fauriei,562407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Pteridaceae'],['Unknown'],['Pteris'],['Pteris fauriei'],3,3,6.584566593170166 12119,4627,2705,Alkaloids,Sesquiterpenoids,Illudalane sesquiterpenoids,0.52114165,ISDB,XHCCHLDFCJSAGA-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-8-10(4-5-16)9(7-17)6-11-12(8)14(19)15(2,3)13(11)18/h6,13,16-18H,4-5,7H2,1-3H3",Cc1c(CCO)c(CO)cc2c1C(=O)C(C)(C)C2O,C15H20O4,,264.13615912,XHCCHLDFCJSAGA,Terpenoids,Sesquiterpenoids,Illudalane sesquiterpenoids,Pteris khasiana,5679603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Pteridaceae'],['Unknown'],['Pteris'],['Pteris khasiana'],3,3,6.584566593170166 12120,4626,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.36925468,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,3,8.97701871395111 12121,4626,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.36925468,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,3,8.97701871395111 12122,4625,-1,,,,0.52462226,ISDB,,,,,,,AIHILSJAGNUJAL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0984890460968018 12123,4624,955,Polyketides,Sesquiterpenoids,Abietane diterpenoids,0.44911194,ISDB,JYEVPOCBZDNGDL-ISCJZRRASA-N,"InChI=1S/C24H30O2/c1-17-9-8-10-18(2)16-21(23-20(15-17)24(23,3)4)26-22(25)14-13-19-11-6-5-7-12-19/h5-7,10-15,20-21,23H,8-9,16H2,1-4H3/b14-13+,17-15-,18-10-/t20-,21-,23-/m0/s1",C/C1=C/[C@H]2[C@@H]([C@@H](OC(=O)/C=C/c3ccccc3)C/C(C)=C\CC1)C2(C)C,C24H30O2,,350.2245802,JYEVPOCBZDNGDL,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Parthenium argentatum,928424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium argentatum'],4,2,6.79644775390625 12124,4624,955,Polyketides,Sesquiterpenoids,Abietane diterpenoids,0.44911194,ISDB,JYEVPOCBZDNGDL-ISCJZRRASA-N,"InChI=1S/C24H30O2/c1-17-9-8-10-18(2)16-21(23-20(15-17)24(23,3)4)26-22(25)14-13-19-11-6-5-7-12-19/h5-7,10-15,20-21,23H,8-9,16H2,1-4H3/b14-13+,17-15-,18-10-/t20-,21-,23-/m0/s1",C/C1=C/[C@H]2[C@@H]([C@@H](OC(=O)/C=C/c3ccccc3)C/C(C)=C\CC1)C2(C)C,C24H30O2,,350.2245802,JYEVPOCBZDNGDL,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Parthenium,928426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Unknown'],4,2,6.79644775390625 12125,4622,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12126,4622,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12127,4621,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.5294732,ISDB,KOTXAHKUCAQPQA-AAUVPWARSA-N,"InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23?,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1",CC(=O)O[C@H]1CC2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C35H47NO10,,641.319996704,KOTXAHKUCAQPQA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,10.617892742156982 12128,4620,-1,,,,0.5194015,ISDB,KPPSMCABJGUZGW-HYXAFXHYSA-N,"InChI=1S/C24H32O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h3,5,9,12-13,15-16,18-20,25-26H,1-2,4,6-8,10-11,14,17H2/b5-3-",Oc1cc(O)cc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O2,,352.240230264,KPPSMCABJGUZGW,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.077605962753296 12129,4619,778,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6535451,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.614180326461792 12130,4619,778,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6535451,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.614180326461792 12131,4617,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.39800695,ISDB,LSCSUEAXTUGLRK-UHFFFAOYSA-N,"InChI=1S/C18H23NO2/c1-14(20)9-5-3-2-4-6-10-15-13-18(21)16-11-7-8-12-17(16)19-15/h7-8,11-13H,2-6,9-10H2,1H3,(H,19,21)",CC(=O)CCCCCCCc1cc(=O)c2ccccc2[nH]1,C18H23NO2,,285.172878976,LSCSUEAXTUGLRK,Alkaloids,Anthranilic acid alkaloids,Acridone alkaloids,Ruta montana,397678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ruta'],['Ruta montana'],3,1,5.09202778339386 12132,4616,-1,,,,0.38772526,ISDB,CUUFUIWPYJIJGQ-RYUDHWBXSA-N,"InChI=1S/C15H22O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,8,11-12H,4-5,7,9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)=CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H22O3,,250.156894564,CUUFUIWPYJIJGQ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,7.5509010553359985 12133,4615,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XGQJTMGCTWAMED-UEDUNPOGSA-N,"InChI=1S/C35H44O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,19,26,28-32,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28-,29+,30-,31+,32+,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O10,pos_1_1proton1ethylamine,624.293447608,XGQJTMGCTWAMED,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12134,4614,336,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,0.5346571,ISDB,CEMBNJZUXWTPEZ-ZUEPEPMWSA-N,"InChI=1S/C26H34O8/c1-15-11-20(29)22(32-17(3)28)25(14-31-16(2)27)21(33-23(30)18-9-7-6-8-10-18)12-19-13-26(15,25)34-24(19,4)5/h6-10,15,19-22,29H,11-14H2,1-5H3/t15-,19-,20+,21+,22+,25-,26+/m0/s1",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](O)C[C@H](C)[C@]13C[C@H](C[C@H]2OC(=O)c1ccccc1)C(C)(C)O3,C26H34O8,,474.225368048,CEMBNJZUXWTPEZ,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Celastrus paniculatus,561287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus paniculatus'],3,0,5.1386284828186035 12135,4613,-1,,,,0.0,MS1_match,KHBOEHDNAZWJMH-ZGILUUTNSA-N,"InChI=1S/C25H43NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-20,26-28H,7-14H2,1-6H3/t15-,16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C25H43NO2,pos_1_1proton,389.329379616,KHBOEHDNAZWJMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 12136,4612,-1,,,,0.653348,ISDB,,,,,,,JFGPNOXTEWMCEU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6133921146392822 12137,4610,-1,,,,0.0,MS1_match,KBMFCFQKQSWIFH-XOYLVKIYSA-N,"InChI=1S/C33H36O11/c34-23(11-6-21-8-13-25(35)27(37)16-21)18-24(12-7-22-9-14-26(36)28(38)17-22)43-33-32(31(41)29(39)19-42-33)44-30(40)15-10-20-4-2-1-3-5-20/h1-5,8-10,13-17,24,29,31-33,35-39,41H,6-7,11-12,18-19H2/b15-10+/t24-,29+,31-,32+,33-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccccc1,C33H36O11,pos_1_1sodium,608.225761972,KBMFCFQKQSWIFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12138,4609,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12139,4609,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12140,4609,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12141,4609,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12142,4607,2675,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6958326,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.28333044052124 12143,4605,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.20715733,ISDB,LXUQYKJMQWQSFH-XZLXBTOFSA-N,"InChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37-/m0/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O,C40H50O4,,594.37091008,LXUQYKJMQWQSFH,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Asterias amurensis,721266.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Forcipulatida'],['Asteriidae'],['Unknown'],['Asterias'],['Asterias amurensis'],1,1,2.3286293148994446 12144,4605,32,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.20715733,ISDB,LXUQYKJMQWQSFH-XZLXBTOFSA-N,"InChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37-/m0/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O,C40H50O4,,594.37091008,LXUQYKJMQWQSFH,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Patiria pectinifera,977093.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Asterinidae'],['Unknown'],['Patiria'],['Patiria pectinifera'],1,1,2.3286293148994446 12145,4604,-1,,,,0.0,MS1_match,JMNDJFQMPPGUNI-UHFFFAOYSA-N,"InChI=1S/C35H50N2O5/c1-20(37(7)8)24-14-15-33(5)27-17-26(41-21(2)38)29-23(18-35(27)28(42-35)19-34(24,33)6)16-25(39)30(32(29,3)4)36-31(40)22-12-10-9-11-13-22/h9-13,16,20,24-30,39H,14-15,17-19H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C3(CC4=CC(O)C(NC(=O)c5ccccc5)C(C)(C)C41)OC3CC1(C)C(C(C)N(C)C)CCC21C,C35H50N2O5,pos_1_1proton,578.3719727,JMNDJFQMPPGUNI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 12146,4602,354,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.26341107,ISDB,VPHZQTMMIZNNMH-DHVWHUDASA-N,"InChI=1S/C32H32O13/c1-14-26(38)25-21(36)12-22(19-11-18(34)8-9-20(19)35)43-31(25)15(2)30(14)45-32-29(41)28(40)27(39)23(44-32)13-42-24(37)10-5-16-3-6-17(33)7-4-16/h3-11,22-23,27-29,32-35,38-41H,12-13H2,1-2H3/b10-5+/t22-,23+,27+,28-,29+,32-/m0/s1",Cc1c(O)c2c(c(C)c1O[C@@H]1O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]1O)O[C@H](c1cc(O)ccc1O)CC2=O,C32H32O13,,624.184291084,VPHZQTMMIZNNMH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Myrcia multiflora,87267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Myrcia'],['Myrcia multiflora'],3,3,5.553644299507141 12147,4600,-1,,,,0.39398906,ISDB,DKMGVACNAAKVRR-MRBSYODNSA-N,"InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+",CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,DKMGVACNAAKVRR,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.575956225395203 12148,4598,227,Fatty acids,Diterpenoids,Fatty alcohols,0.5073014,ISDB,VAGGDCACZPJMFS-OPOXAECZSA-N,"InChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+/t16-,17+,18+/m1/s1",CCCCCC[C@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCC(=O)OC,C19H36O5,,344.256274252,VAGGDCACZPJMFS,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Sambucus williamsii,589181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Sambucus'],['Sambucus williamsii'],4,1,6.529205560684204 12149,4598,227,Fatty acids,Diterpenoids,Fatty alcohols,0.5073014,ISDB,VAGGDCACZPJMFS-SQNIBIBYSA-N,"InChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/t16-,17+,18+/m1/s1",CCCCCC[C@H](O)[C@@H](O)C=C[C@H](O)CCCCCCC(=O)OC,C19H36O5,,344.256274252,VAGGDCACZPJMFS,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,1,6.529205560684204 12150,4597,1157,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.32775596,ISDB,BZQMKTCQZSTGQS-JCGBMYGUSA-N,"InChI=1S/C34H44O6/c1-20(2)14-15-24-19-34(17-16-21(3)4)30(38)27(29(37)22(5)6)32(39)40-31(34)28(33(24,7)8)25(18-26(35)36)23-12-10-9-11-13-23/h9-14,16,22,24-25,39H,15,17-19H2,1-8H3,(H,35,36)/t24-,25-,34+/m0/s1",CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C,C34H44O6,,548.313789128,BZQMKTCQZSTGQS,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Mahurea palustris,5763671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Calophyllaceae'],['Calophylleae'],['Mahurea'],['Mahurea palustris'],4,3,6.811023831367493 12151,4596,227,Fatty acids,Diterpenoids,Fatty alcohols,0.565634,ISDB,JAKAZHIACKJNNB-RTBURBONSA-N,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3/t18-,19-/m1/s1",C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O,C19H34O4,,326.24570956799994,JAKAZHIACKJNNB,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],4,3,7.76253604888916 12152,4590,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WEMFCNJAKPAGGS-GUYCJALGSA-N,"InChI=1S/C17H14O8/c1-23-16(21)17(22)13(20)6-7-24-15-14(17)11(19)8-12(25-15)9-2-4-10(18)5-3-9/h2-8,13,18,20,22H,1H3/t13-,17-/m0/s1",COC(=O)[C@@]1(O)c2c(oc(-c3ccc(O)cc3)cc2=O)OC=C[C@@H]1O,C17H14O8,pos_1_1proton,346.0688674079999,WEMFCNJAKPAGGS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,2,7.0 12153,4589,-1,,,,0.8252587,ISDB,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,10.301034688949585 12154,4588,778,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.56311953,ISDB,PBWFBFJNCUAIQQ-UHFFFAOYSA-N,"InChI=1S/C25H39NO3/c1-20(27)14-10-7-5-3-4-6-8-13-17-23-18-19-24(21(2)26-23)29-25(28)22-15-11-9-12-16-22/h9,11-12,15-16,21,23-24,26H,3-8,10,13-14,17-19H2,1-2H3",CC(=O)CCCCCCCCCCC1CCC(OC(=O)c2ccccc2)C(C)N1,C25H39NO3,,401.292994108,PBWFBFJNCUAIQQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,1,6.752478122711182 12155,4587,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12156,4582,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 12157,4582,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 12158,4581,-1,,,,0.0,MS1_match,DFIZODYMENDZMN-RBTXIFOQSA-N,"InChI=1S/C15H28O4/c1-13-6-4-7-14(2,18)12(13)11(17)10(5-8-13)15(3,19)9-16/h10-12,16-19H,4-9H2,1-3H3/t10-,11+,12-,13-,14-,15-/m1/s1",C[C@]12CCC[C@@](C)(O)[C@@H]1[C@@H](O)[C@H]([C@](C)(O)CO)CC2,C15H28O4,pos_1_1sodium,272.198759376,DFIZODYMENDZMN,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 12159,4580,891,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.7964395,ISDB,HCBBFMFEVRXQGI-SFJACZDSSA-N,"InChI=1S/C15H24O2/c1-13(2)9-5-7-15(8-17-15)10-4-6-14(3,16)12(10)11(9)13/h9-12,16H,4-8H2,1-3H3/t9-,10-,11-,12-,14+,15-/m0/s1",CC1(C)[C@@H]2[C@@H]3[C@H](CC[C@@]3(C)O)[C@]3(CC[C@@H]21)CO3,C15H24O2,,236.177630008,HCBBFMFEVRXQGI,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Neolitsea hiiranensis,5699234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea hiiranensis'],6,3,10.685758113861084 12160,4579,808,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,0.76728743,ISDB,UGVIZCBJCSXBCJ-JWFUOXDNSA-N,"InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1",C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C,C15H22O,,218.167065324,UGVIZCBJCSXBCJ,Terpenoids,Sesquiterpenoids,Aristolane sesquiterpenoids,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,3,10.569149732589722 12161,4578,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7117003,ISDB,VTUZIFHLLUSULC-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8-10H,5,7H2,1-4H3",CC1=Cc2c(C(C)C)ccc(C)c2CC1,C15H20,,200.15650064,VTUZIFHLLUSULC,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,3,10.346801280975342 12162,4577,-1,,,,0.8578342,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,0,7.431336879730225 12163,4575,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.5152667,ISDB,CPKWBZLDPWJFPM-LBPRGKRZSA-N,"InChI=1S/C17H18O4/c1-20-17-15(19)7-4-13-9-12(10-21-16(13)17)8-11-2-5-14(18)6-3-11/h2-7,12,18-19H,8-10H2,1H3/t12-/m0/s1",COc1c(O)ccc2c1OC[C@@H](Cc1ccc(O)cc1)C2,C17H18O4,,286.120509056,CPKWBZLDPWJFPM,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Dracaena cinnabari,129243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Dracaena'],['Dracaena cinnabari'],3,0,5.0610668659210205 12164,4575,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.5152667,ISDB,CPKWBZLDPWJFPM-LBPRGKRZSA-N,"InChI=1S/C17H18O4/c1-20-17-15(19)7-4-13-9-12(10-21-16(13)17)8-11-2-5-14(18)6-3-11/h2-7,12,18-19H,8-10H2,1H3/t12-/m0/s1",COc1c(O)ccc2c1OC[C@@H](Cc1ccc(O)cc1)C2,C17H18O4,,286.120509056,CPKWBZLDPWJFPM,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Dracaena cochinchinensis,445552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Dracaena'],['Dracaena cochinchinensis'],3,0,5.0610668659210205 12165,4575,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.5152667,ISDB,CPKWBZLDPWJFPM-LBPRGKRZSA-N,"InChI=1S/C17H18O4/c1-20-17-15(19)7-4-13-9-12(10-21-16(13)17)8-11-2-5-14(18)6-3-11/h2-7,12,18-19H,8-10H2,1H3/t12-/m0/s1",COc1c(O)ccc2c1OC[C@@H](Cc1ccc(O)cc1)C2,C17H18O4,,286.120509056,CPKWBZLDPWJFPM,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Dracaena cambodiana,330864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Dracaena'],['Dracaena cambodiana'],3,0,5.0610668659210205 12166,4575,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.5152667,ISDB,CPKWBZLDPWJFPM-LBPRGKRZSA-N,"InChI=1S/C17H18O4/c1-20-17-15(19)7-4-13-9-12(10-21-16(13)17)8-11-2-5-14(18)6-3-11/h2-7,12,18-19H,8-10H2,1H3/t12-/m0/s1",COc1c(O)ccc2c1OC[C@@H](Cc1ccc(O)cc1)C2,C17H18O4,,286.120509056,CPKWBZLDPWJFPM,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Dracaena draco,107686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Dracaena'],['Dracaena draco'],3,0,5.0610668659210205 12167,4573,639,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,IXXWTERKUADIKZ-DNQXCXABSA-N,"InChI=1S/C30H22O6/c1-13-9-17-23(15-5-3-7-19(31)25(15)29(35)27(17)21(33)11-13)24-16-6-4-8-20(32)26(16)30(36)28-18(24)10-14(2)12-22(28)34/h3-12,23-24,31-34H,1-2H3/t23-,24-/m1/s1",Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O,C30H22O6,pos_2_2proton,478.1416384239999,IXXWTERKUADIKZ,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 12168,4573,639,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,IXXWTERKUADIKZ-DNQXCXABSA-N,"InChI=1S/C30H22O6/c1-13-9-17-23(15-5-3-7-19(31)25(15)29(35)27(17)21(33)11-13)24-16-6-4-8-20(32)26(16)30(36)28-18(24)10-14(2)12-22(28)34/h3-12,23-24,31-34H,1-2H3/t23-,24-/m1/s1",Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O,C30H22O6,pos_2_2proton,478.1416384239999,IXXWTERKUADIKZ,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 12169,4573,639,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,CECFRXAAINWUNH-UHFFFAOYSA-N,"InChI=1S/C30H22O6/c1-13-8-16-12-15-6-7-18(28(34)24(15)29(35)23(16)21(32)10-13)25-17-4-3-5-20(31)26(17)30(36)27-19(25)9-14(2)11-22(27)33/h3-11,25,31-34H,12H2,1-2H3",Cc1cc(O)c2c(c1)Cc1ccc(C3c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=O,C30H22O6,pos_2_2proton,478.1416384239999,CECFRXAAINWUNH,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Karwinskia parvifolia,5763245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Karwinskia'],['Karwinskia parvifolia'],7,3,8.5 12170,4572,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_2MNa,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12171,4572,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_2MNa,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12172,4572,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_2MNa,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12173,4572,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_2MNa,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12174,4572,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_2MNa,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12175,4572,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_2MNa,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12176,4572,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_2MNa,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12177,4572,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_2MNa,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12178,4571,-1,,,,0.27878505,ISDB,NFWYGIXMHGBINM-FNXGOSRVSA-N,"InChI=1S/C27H50O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h9-10,21-22,24-29,31-33H,2-8,11-20H2,1H3/b10-9-/t21-,22+,24+,25-,26+,27+/m0/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H50O9,,518.34548318,NFWYGIXMHGBINM,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Codium indicum,4002209.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Bryopsidales'],['Codiaceae'],['Unknown'],['Codium'],['Codium indicum'],2,0,3.115140199661255 12179,4570,-1,,,,0.38885975,ISDB,KIKPXXYWOBPSRR-LHKLUNQESA-N,"InChI=1S/C27H44N2O2/c1-17(28-16-30)24-22(31)15-27(5)21-10-9-20-18(14-19(21)12-13-26(24,27)4)8-11-23(29(6)7)25(20,2)3/h12,14,16-17,20-24,31H,8-11,13,15H2,1-7H3,(H,28,30)/t17-,20-,21+,22+,23-,24-,26+,27-/m0/s1",C[C@H](NC=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H44N2O2,,428.340278648,KIKPXXYWOBPSRR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,9.555438995361328 12180,4568,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,2,9.0 12181,4568,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 12182,4568,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,2,9.0 12183,4567,595,Shikimates and Phenylpropanoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,IEGFOTASSBZIBZ-DNEWVRTNSA-N,"InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7+/t13-,14+,15-,16+,17-,18+,19+,20-,21-/m0/s1",CC(C)=CCC/C(C)=C/CO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H36O10,pos_1_1proton1ammonium,448.230847352,IEGFOTASSBZIBZ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hovenia dulcis,870613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Hovenia'],['Hovenia dulcis'],6,2,7.0 12184,4567,595,Shikimates and Phenylpropanoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,IEGFOTASSBZIBZ-DNEWVRTNSA-N,"InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7+/t13-,14+,15-,16+,17-,18+,19+,20-,21-/m0/s1",CC(C)=CCC/C(C)=C/CO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H36O10,pos_1_1proton1ammonium,448.230847352,IEGFOTASSBZIBZ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hovenia dulcis,870613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Hovenia'],['Hovenia dulcis'],6,2,7.0 12185,4567,595,Shikimates and Phenylpropanoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,XOSSHORSTHFGFX-OMHAHRJWSA-N,"InChI=1S/C21H36O10/c1-10(2)5-6-12(11(3)4)7-28-21-19(27)17(25)16(24)14(31-21)9-30-20-18(26)15(23)13(22)8-29-20/h5,12-27H,3,6-9H2,1-2,4H3/t12?,13-,14+,15-,16+,17-,18+,19-,20-,21-/m0/s1",C=C(C)C(CC=C(C)C)CO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,C21H36O10,pos_1_1proton1ammonium,448.230847352,XOSSHORSTHFGFX,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hovenia dulcis,870613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Hovenia'],['Hovenia dulcis'],6,2,7.0 12186,4565,736,Terpenoids,Diterpenoids,Abietane diterpenoids,0.69435996,ISDB,QMSWKASVXHXIKB-JUNANHINSA-N,"InChI=1S/C20H28O5/c1-18(2,25)13-8-11-9-15(22)16-19(3,12(11)10-14(13)21)6-5-7-20(16,4)17(23)24/h8-9,12,15-16,22,25H,5-7,10H2,1-4H3,(H,23,24)/t12-,15-,16+,19+,20+/m0/s1",CC(C)(O)C1=CC2=C[C@H](O)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O,C20H28O5,,348.1936739959999,QMSWKASVXHXIKB,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,10.277439832687378 12187,4564,759,Alkaloids,Ornithine alkaloids,Polyamines,0.7663732,ISDB,QYBCBMVQSCJMSA-UHFFFAOYSA-N,"InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)",O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(O)cc1,C25H31N3O4,,437.231456472,QYBCBMVQSCJMSA,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra tetragona,490871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra tetragona'],4,3,8.565492868423462 12188,4564,759,Alkaloids,Ornithine alkaloids,Polyamines,0.7663732,ISDB,QYBCBMVQSCJMSA-UHFFFAOYSA-N,"InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)",O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(O)cc1,C25H31N3O4,,437.231456472,QYBCBMVQSCJMSA,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra arborea,490871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra tetragona'],4,3,8.565492868423462 12189,4564,759,Alkaloids,Ornithine alkaloids,Polyamines,0.7663732,ISDB,QYBCBMVQSCJMSA-UHFFFAOYSA-N,"InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)",O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(O)cc1,C25H31N3O4,,437.231456472,QYBCBMVQSCJMSA,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra chamissoniana,5801368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra chamissoniana'],4,3,8.565492868423462 12190,4563,759,Alkaloids,Ornithine alkaloids,Polyamines,0.51695013,ISDB,PFDVWJCSCYDRMZ-AUCPOXKISA-N,"InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C34H37N3O6,,583.268235904,PFDVWJCSCYDRMZ,Alkaloids,Ornithine alkaloids,Polyamines,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,3,9.567800521850586 12191,4562,-1,,,,0.30280337,ISDB,HCBWZDHWOYYYFX-PNYQTAEKSA-N,"InChI=1S/C36H42O14/c1-44-27-13-19(4-8-24(27)38)6-11-31(40)47-18-30-32(41)33(42)34(43)36(50-30)49-26-10-5-20(14-29(26)46-3)12-22-17-48-35(23(22)16-37)21-7-9-25(39)28(15-21)45-2/h4-11,13-15,22-23,30,32-39,41-43H,12,16-18H2,1-3H3/b11-6+/t22-,23-,30+,32+,33-,34+,35+,36+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3ccc(C[C@H]4CO[C@H](c5ccc(O)c(OC)c5)[C@H]4CO)cc3OC)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C36H42O14,,698.257456024,HCBWZDHWOYYYFX,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,0,5.21121346950531 12192,4561,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.697739,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.290956020355225 12193,4560,-1,,,,0.0,MS1_match,PFDVWJCSCYDRMZ-AUCPOXKISA-N,"InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C34H37N3O6,pos_1_1sodium,583.268235904,PFDVWJCSCYDRMZ,Alkaloids,Ornithine alkaloids,Polyamines,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 12194,4557,-1,,,,0.7652944,ISDB,VSAAZASKZGNSDL-SUMWQHHRSA-N,"InChI=1S/C17H18O5/c1-20-15-7-12-14(8-16(15)21-2)22-9-13(17(12)19)10-3-5-11(18)6-4-10/h3-8,13,17-19H,9H2,1-2H3/t13-,17+/m0/s1",COc1cc2c(cc1OC)[C@@H](O)[C@H](c1ccc(O)cc1)CO2,C17H18O5,,302.115423676,VSAAZASKZGNSDL,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],3,0,6.061177492141724 12195,4556,649,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.29455692,ISDB,VUHCEJPYCQSKEW-PBVIGIQOSA-N,"InChI=1S/C15H23NO4/c1-9-5-10(2)15(20)12(6-9)4-3-11(7-13(16)17)8-14(18)19/h4,9-11H,3,5-8H2,1-2H3,(H2,16,17)(H,18,19)/b12-4+/t9-,10-,11-/m0/s1",C[C@@H]1C/C(=C\C[C@@H](CC(N)=O)CC(=O)O)C(=O)[C@@H](C)C1,C15H23NO4,,281.162708216,VUHCEJPYCQSKEW,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.678227663040161 12196,4555,779,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.62418866,ISDB,YAHBMCAACKWCEA-ATKQMNAUSA-N,"InChI=1S/C15H22O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h4,9-10,12-14,17H,5-7H2,1-3H3/b8-4+/t9-,10+,12-,13+,14+/m0/s1",C/C1=C\CC(=O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,,266.151809184,YAHBMCAACKWCEA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia argentea,1081054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argentea'],3,3,6.9967546463012695 12197,4554,119,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.77217036,ISDB,KSHYBRGJCONCFY-KMTCVKGLSA-N,"InChI=1S/C14H18O2/c1-7-10-5-9-3-8-4-11(8)14(9,2)6-12(10)16-13(7)15/h8-12H,1,3-6H2,2H3/t8-,9+,10+,11+,12-,14+/m0/s1",C=C1C(=O)O[C@H]2C[C@]3(C)[C@H](C[C@H]4C[C@H]43)C[C@H]12,C14H18O2,,218.130679816,KSHYBRGJCONCFY,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Wunderlichia mirabilis,1083965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Wunderlichieae'],['Wunderlichia'],['Wunderlichia mirabilis'],3,2,7.08868145942688 12198,4553,1661,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.758746,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,3,7.534984111785889 12199,4553,1661,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.758746,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],3,3,7.534984111785889 12200,4552,1387,Terpenoids,Diterpenoids,Abietane diterpenoids,0.4843477,ISDB,PTQFIYQNKVSVGM-GUDVDZBRSA-N,"InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C,C19H26O2,,286.193280072,PTQFIYQNKVSVGM,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,3,9.437390804290771 12201,4551,1387,Terpenoids,Diterpenoids,Abietane diterpenoids,0.28355488,ISDB,FITFAFMCWGCVDQ-LJQANCHMSA-N,"InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m1/s1",O[C@H](CCCCc1ccccc1)CCc1ccccc1,C19H24O,,268.182715388,FITFAFMCWGCVDQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,6.134219527244568 12202,4550,-1,,,,0.66733694,ISDB,MYMYSGUFPZXICQ-UHFFFAOYSA-N,"InChI=1S/C23H35NO2/c1-23(2,26)17-13-9-7-5-3-4-6-8-10-14-19-18-22(25)20-15-11-12-16-21(20)24-19/h11-12,15-16,18,26H,3-10,13-14,17H2,1-2H3,(H,24,25)",CC(C)(O)CCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1,C23H35NO2,,357.26677936,MYMYSGUFPZXICQ,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Dictyoloma vandellianum,909219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Dictyoloma'],['Dictyoloma vandellianum'],4,0,6.669347763061523 12203,4549,-1,,,,0.0,MS1_match,VDPJWHMYWDZZGX-ISARSNTHSA-N,"InChI=1S/C19H30O4/c1-13-8-9-16-18(2,10-5-11-19(16,3)17(22)23)15(13)7-4-6-14(21)12-20/h15-16,20H,1,4-12H2,2-3H3,(H,22,23)/t15-,16+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCCC(=O)CO,C19H30O4,pos_1_1sodium,322.21440944,VDPJWHMYWDZZGX,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,0,6.0 12204,4547,-1,,,,0.7555156,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus neoniveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,4.022062301635742 12205,4547,-1,,,,0.7555156,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus niveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,4.022062301635742 12206,4546,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.9030978,ISDB,LSXMHNJGHRDFGB-MUGBGTHKSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,10-12,16H,4-5H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1",CC1=C[C@@H](O)[C@@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13,C15H18O4,,262.120509056,LSXMHNJGHRDFGB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Meeboldia yunnanensis,417161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Meeboldia'],['Meeboldia yunnanensis'],3,3,8.112391233444214 12207,4545,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.44996917,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.299876689910889 12208,4544,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.77651286,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],3,3,7.606051445007324 12209,4544,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.77651286,ISDB,ZAUXXSQCVPKKPE-HNNXBMFYSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m0/s1",CC1=C2C(=O)c3c(C)coc3C[C@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],3,3,7.606051445007324 12210,4543,-1,,,,0.0,MS1_match,HOVZKJLKUYBNDD-DELXVENHSA-N,"InChI=1S/C26H36O11/c1-11-16(30)9-18(35-12(2)27)24(6)19(11)20(32)15-8-17(31)25(7)26(33,23(15,5)10-34-25)22(37-14(4)29)21(24)36-13(3)28/h15-16,18-22,30,32-33H,1,8-10H2,2-7H3/t15-,16-,18-,19-,20+,21-,22-,23-,24+,25+,26-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](O)[C@H]12,C26H36O11,pos_1_1proton1ethylamine,524.2257619719998,HOVZKJLKUYBNDD,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 12211,4543,-1,,,,0.0,MS1_match,HOVZKJLKUYBNDD-DELXVENHSA-N,"InChI=1S/C26H36O11/c1-11-16(30)9-18(35-12(2)27)24(6)19(11)20(32)15-8-17(31)25(7)26(33,23(15,5)10-34-25)22(37-14(4)29)21(24)36-13(3)28/h15-16,18-22,30,32-33H,1,8-10H2,2-7H3/t15-,16-,18-,19-,20+,21-,22-,23-,24+,25+,26-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](O)[C@H]12,C26H36O11,pos_1_1proton1ethylamine,524.2257619719998,HOVZKJLKUYBNDD,Terpenoids,Diterpenoids,Briarane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,6.0 12212,4543,-1,,,,0.0,MS1_match,CARDVZMKNDWLLP-LKGHEZQFSA-N,"InChI=1S/C26H40O11/c1-11-16(31)9-26(24(5,6)34)19(11)21(32)23(37-14(4)30)25(7)18(36-13(3)29)8-17(35-12(2)28)15(10-27)20(25)22(26)33/h15-18,20-23,27,31-34H,8-10H2,1-7H3/t15-,16+,17+,18+,20+,21-,22+,23+,25-,26+/m1/s1",CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]([C@@H]1CO)[C@H](O)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(C)=O,C26H40O11,pos_1_1proton1acetonitrile,528.2570621,CARDVZMKNDWLLP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 12213,4543,-1,,,,0.0,MS1_match,KOAMJDFBOMDZCQ-MCQGWXSPSA-N,"InChI=1S/C26H40O11/c1-11-17(32)9-26(24(5,6)34)19(11)21(36-13(3)29)23(37-14(4)30)25(7)18(35-12(2)28)8-16(31)15(10-27)20(25)22(26)33/h15-18,20-23,27,31-34H,8-10H2,1-7H3/t15-,16+,17?,18+,20+,21-,22+,23+,25-,26+/m1/s1",CC(=O)O[C@@H]1C2=C(C)C(O)C[C@@]2(C(C)(C)O)[C@@H](O)[C@@H]2[C@H](CO)[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@H]1OC(C)=O,C26H40O11,pos_1_1proton1acetonitrile,528.2570620999998,KOAMJDFBOMDZCQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 12214,4543,-1,,,,0.0,MS1_match,NHCLXSSUPOPGTR-UHFFFAOYSA-N,"InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3",CC(=O)OC1=C(C)C(O)CC(O)C(CO)=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C1OC(C)=O)C2(C)C,C28H40O11,pos_1_1proton1ammonium,552.2570621,NHCLXSSUPOPGTR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 12215,4543,-1,,,,0.0,MS1_match,NHCLXSSUPOPGTR-UHFFFAOYSA-N,"InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3",CC(=O)OC1=C(C)C(O)CC(O)C(CO)=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C1OC(C)=O)C2(C)C,C28H40O11,pos_1_1proton1ammonium,552.2570621,NHCLXSSUPOPGTR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,6.0 12216,4543,-1,,,,0.0,MS1_match,NHCLXSSUPOPGTR-UHFFFAOYSA-N,"InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3",CC(=O)OC1=C(C)C(O)CC(O)C(CO)=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C1OC(C)=O)C2(C)C,C28H40O11,pos_1_1proton1ammonium,552.2570621,NHCLXSSUPOPGTR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana var. mairei,388440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus mairei'],6,0,6.0 12217,4543,-1,,,,0.0,MS1_match,CYQNWZNDBLHXGH-PBKPRRAMSA-N,"InChI=1S/C28H40O11/c1-13-21(33)11-22(34)19(12-36-15(3)29)9-23(35)20-10-24(37-16(4)30)14(2)25(28(20,7)8)27(39-18(6)32)26(13)38-17(5)31/h9,20-24,27,33-35H,10-12H2,1-8H3/b19-9-,26-13+/t20-,21+,22-,23-,24-,27+/m0/s1",CC(=O)OC/C1=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@H](O)C[C@@H]1O)C2(C)C,C28H40O11,pos_1_1proton1ammonium,552.2570620999998,CYQNWZNDBLHXGH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 12218,4543,-1,,,,0.0,MS1_match,CYQNWZNDBLHXGH-PBKPRRAMSA-N,"InChI=1S/C28H40O11/c1-13-21(33)11-22(34)19(12-36-15(3)29)9-23(35)20-10-24(37-16(4)30)14(2)25(28(20,7)8)27(39-18(6)32)26(13)38-17(5)31/h9,20-24,27,33-35H,10-12H2,1-8H3/b19-9-,26-13+/t20-,21+,22-,23-,24-,27+/m0/s1",CC(=O)OC/C1=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@H](O)C[C@@H]1O)C2(C)C,C28H40O11,pos_1_1proton1ammonium,552.2570620999998,CYQNWZNDBLHXGH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,6.0 12219,4543,-1,,,,0.0,MS1_match,NWGSLLPHAJKKFO-NDMCULTDSA-N,"InChI=1S/C28H40O11/c1-13-21(34)11-24(37-16(4)31)19(12-29)9-22(35)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13+/t20-,21-,22+,23-,24-,27+/m0/s1",CC(=O)O/C1=C(\C)[C@@H](O)C[C@H](OC(C)=O)/C(CO)=C/[C@@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C28H40O11,pos_1_1proton1ammonium,552.2570621,NWGSLLPHAJKKFO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 12220,4543,-1,,,,0.0,MS1_match,KKYDBSIOPKKLQL-VZVRQYNNSA-N,"InChI=1S/C28H40O11/c1-12-18(33)10-20(37-15(4)30)27(9)22(12)24(38-16(5)31)28(26(7,8)35)11-19(36-14(3)29)13(2)21(28)23(34)25(27)39-17(6)32/h18-20,22-25,33-35H,1,10-11H2,2-9H3/t18-,19-,20-,22-,23+,24-,25-,27+,28-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C28H40O11,pos_1_1proton1ammonium,552.2570620999998,KKYDBSIOPKKLQL,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 12221,4542,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,pos_1_1proton,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12222,4542,237,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BAMOWEPNOWRITR-CHPRBJBJSA-N,"InChI=1S/C37H49NO11/c1-19-26(46-20(2)39)16-25-28(47-21(3)40)15-24-18-37(7,34(44)32(42)30(19)36(25,5)6)29(48-22(4)41)17-27(24)49-35(45)33(43)31(38(8)9)23-13-11-10-12-14-23/h10-15,25-29,31-33,42-43H,16-18H2,1-9H3/b24-15+/t25-,26-,27-,28-,29-,31-,32+,33+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C37H49NO11,pos_1_1proton,683.3305613879999,BAMOWEPNOWRITR,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12223,4541,-1,,,,0.49309298,ISDB,UWFDYAWULNEXBD-YULCGJSVSA-N,"InChI=1S/C24H37NO2/c1-16(25(4)15-26)20-8-9-21-19-7-6-17-14-18(27-5)10-12-23(17,2)22(19)11-13-24(20,21)3/h6,8,15-16,18-19,21-22H,7,9-14H2,1-5H3/t16-,18-,19-,21-,22-,23-,24+/m0/s1",CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C=O)=CC[C@@H]32)C1,C24H37NO2,,371.282429424,UWFDYAWULNEXBD,Terpenoids,Steroids,Cholestane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,7.972371935844421 12224,4538,-1,,,,0.0,MS1_match,IGAXGECSCJPYKE-AWTYVZHISA-N,"InChI=1S/C30H50N2O3/c1-19(31(6)7)25-21(34)16-28(5)23-11-10-22-26(3,18-35-20(2)33)24(32(8)9)12-13-29(22)17-30(23,29)15-14-27(25,28)4/h10-11,19,21-25,34H,12-18H2,1-9H3/t19-,21+,22-,23-,24-,25-,26+,27+,28-,29+,30-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13,C30H50N2O3,pos_1_1proton,486.38214346,IGAXGECSCJPYKE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 12225,4537,1655,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.55202353,ISDB,QILSEMOPVAZWLY-DSJRXEMUSA-N,"InChI=1S/C28H46N2O/c1-19(29(5)6)22-13-15-28(4)24-10-9-23-20(16-21(24)12-14-27(22,28)3)8-11-25-26(23,2)17-31-18-30(25)7/h12,16,19,22-25H,8-11,13-15,17-18H2,1-7H3/t19-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C)N(C)C,C28H46N2O,,426.361014092,QILSEMOPVAZWLY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.708094120025635 12226,4536,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 12227,4535,-1,,,,0.0,MS1_match,WDERTWRXKAEKCP-KVIBCQEESA-N,"InChI=1S/C22H30O3/c1-18(2)13-5-6-14-19(3)9-7-16(24)20(19,4)11-17(25)22(14)12-21(13,22)10-8-15(18)23/h8,10,13-14,17,25H,5-7,9,11-12H2,1-4H3/t13-,14-,17+,19-,20+,21+,22-/m0/s1",CC1(C)C(=O)C=C[C@]23C[C@]24[C@H](O)C[C@]2(C)C(=O)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C22H30O3,pos_1_1proton1ethylamine,342.21949482,WDERTWRXKAEKCP,Terpenoids,Triterpenoids,,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 12228,4533,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12229,4533,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12230,4533,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12231,4533,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12232,4532,-1,,,,0.50297445,ISDB,TVVSGJJGORSLDY-WGTHVNLLSA-N,"InChI=1S/C24H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23(25)26)24-15-14-17-20(24)16-18-21(17)22(18)24/h3-8,11-12,14-15,17-22H,2,9-10,13,16H2,1H3,(H,25,26)/b4-3+,6-5+,8-7+,12-11+/t17-,18+,19+,20-,21-,22+,24-/m0/s1",CC/C=C/C=C/C=C/CC/C=C/C[C@H](C(=O)O)[C@@]12C=C[C@@H]3[C@H]4[C@@H](C[C@@H]31)[C@H]42,C24H30O2,,350.2245802,TVVSGJJGORSLDY,Polyketides,,,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],4,0,6.011897802352905 12233,4531,-1,,,,0.0,MS1_match,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,pos_1_1proton,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 12234,4530,11,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.6816261,ISDB,ZGLXUQQMLLIKAN-QTJFZDIUSA-N,"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19-,20+/m0/s1",COc1cc([C@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC,C22H22O7,,398.136553044,ZGLXUQQMLLIKAN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,3,11.2265043258667 12235,4529,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,pos_1_1proton,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 12236,4528,-1,,,,0.28929022,ISDB,XUGFNOLBANLPEQ-JNVOQPTMSA-N,"InChI=1S/C40H49N5O11/c1-24(2)17-18-56-30-15-11-28(12-16-30)20-32(40(54)55)44-38(52)33(23-46)45-37(51)31(19-27-9-13-29(47)14-10-27)43-35(49)22-41-36(50)25(3)42-39(53)34(48)21-26-7-5-4-6-8-26/h4-17,25,31-34,46-48H,18-23H2,1-3H3,(H,41,50)(H,42,53)(H,43,49)(H,44,52)(H,45,51)(H,54,55)/t25-,31+,32+,33+,34-/m0/s1",CC(C)=CCOc1ccc(C[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc2ccccc2)C(=O)O)cc1,C40H49N5O11,,775.3428573880001,XUGFNOLBANLPEQ,Amino acids and Peptides,Oligopeptides,Linear peptides,Conoideocrella tenuis,606906.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Clavicipitaceae'],['Unknown'],['Conoideocrella'],['Conoideocrella tenuis'],1,0,2.1571608781814575 12237,4527,619,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JJAWOGHJFADXHB-KNPJAWNNSA-N,"InChI=1S/C28H40O12/c1-12-17(33)10-27(25(6,7)35)20(12)21(34)23(38-14(3)30)26(8)18(37-13(2)29)9-19-28(11-36-19,40-16(5)32)22(26)24(27)39-15(4)31/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19+,21+,22-,23-,24-,26+,27+,28-/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(C)=O)[C@]12C,C28H40O12,pos_1_1proton1ammonium,568.25197672,JJAWOGHJFADXHB,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12238,4526,3079,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.58707577,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.848303079605103 12239,4525,2016,,,,0.25591224,ISDB,,,,,,,FTPZEAAAKGNLSH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.023648977279663 12240,4524,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.5241675,ISDB,FSRWSNKMDQDICY-UHFFFAOYSA-N,"InChI=1S/C18H25NO2/c1-13-11-16-9-6-10-19(16)17(12-14(2)20)18(13,21)15-7-4-3-5-8-15/h3-5,7-8,13,16-17,21H,6,9-12H2,1-2H3",CC(=O)CC1N2CCCC2CC(C)C1(O)c1ccccc1,C18H25NO2,,287.18852904,FSRWSNKMDQDICY,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Dendrobium crepidatum,868828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium crepidatum'],3,3,6.596669912338257 12241,4523,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.40663657,ISDB,OEUGFCRAXXFNAR-SRUKPRNUSA-N,"InChI=1S/C31H49NO6/c1-23(2)15-13-11-9-7-5-4-6-8-10-12-14-16-27(33)32-22-21-25-17-19-26(20-18-25)38-31-30(36)29(35)28(34)24(3)37-31/h14,16-24,28-31,34-36H,4-13,15H2,1-3H3,(H,32,33)/b16-14-,22-21-/t24-,28-,29+,30+,31-/m0/s1",CC(C)CCCCCCCCCCC/C=C\C(=O)N/C=C\c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1,C31H49NO6,,531.3559882879998,OEUGFCRAXXFNAR,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Myxococcus,939439.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Deltaproteobacteria'],['Myxococcales'],['Myxococcaceae'],['Unknown'],['Myxococcus'],['Unknown'],0,1,2.126546263694763 12242,4521,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.3315221,ISDB,KOTXAHKUCAQPQA-AAUVPWARSA-N,"InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23?,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1",CC(=O)O[C@H]1CC2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C35H47NO10,,641.319996704,KOTXAHKUCAQPQA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.826088428497314 12243,4520,-1,,,,0.0,MS1_match,QMHSIKOTSLNLTD-VCSCPGBLSA-N,"InChI=1S/C34H44O9/c1-19-26(38)16-25-30(41-21(3)35)29-20(2)27(40-18-39-17-24-12-10-9-11-13-24)14-15-34(29,8)32(43-23(5)37)31(42-22(4)36)28(19)33(25,6)7/h9-13,25,27,29-32H,2,14-18H2,1,3-8H3/t25-,27-,29-,30+,31+,32-,34+/m0/s1",C=C1[C@@H](OCOCc2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C34H44O9,pos_1_minus1proton1magnesium,596.298532988,QMHSIKOTSLNLTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 12244,4519,-1,,,,0.0,MS1_match,OAGXTVOZBKKJKA-KRWDZBQOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,17,20,22-24H,3-4,8-9,12H2/t17-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O5,pos_1_1sodium,330.1467238039999,OAGXTVOZBKKJKA,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12245,4519,-1,,,,0.0,MS1_match,BKHDOBRYLMZANE-INIZCTEOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,16,20-21,23-24H,3-4,8-9,12H2/t16-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O5,pos_1_1sodium,330.146723804,BKHDOBRYLMZANE,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12246,4519,-1,,,,0.0,MS1_match,PCCWBFWMHAMKQV-NYCRBECQSA-N,"InChI=1S/C33H34O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-3,5-10,12-16,24,29,31-34,36-40,42H,4,11,17-18H2/b10-3+,14-7+/t24-,29-,31-,32+,33?/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)OC1OC[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H34O12,pos_2_2proton2acetonitrile,622.205026528,PCCWBFWMHAMKQV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 12247,4518,-1,,,,0.0,MS1_match,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,pos_1_1sodium,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 12248,4518,-1,,,,0.0,MS1_match,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,pos_1_1sodium,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 12249,4518,-1,,,,0.0,MS1_match,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,pos_1_1sodium,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12250,4518,-1,,,,0.0,MS1_match,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,pos_1_1sodium,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 12251,4517,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,OAGXTVOZBKKJKA-KRWDZBQOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,17,20,22-24H,3-4,8-9,12H2/t17-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O5,pos_1_1proton1ammonium,330.1467238039999,OAGXTVOZBKKJKA,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 12252,4517,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,BKHDOBRYLMZANE-INIZCTEOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,16,20-21,23-24H,3-4,8-9,12H2/t16-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O5,pos_1_1proton1ammonium,330.146723804,BKHDOBRYLMZANE,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 12253,4516,2071,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,pos_1_1proton1ammonium,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,8.5 12254,4516,2071,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,pos_1_1proton1ammonium,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 12255,4516,2071,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,pos_1_1proton1ammonium,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 12256,4516,2071,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,pos_1_1proton1ammonium,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 12257,4514,411,Alkaloids,Steroids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12258,4510,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ethylamine,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12259,4510,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ethylamine,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12260,4510,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AKGNQELVIPFFIJ-UHFFFAOYSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)28-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(28,6)31(40-20(3)35)30(39)27(18)32(22,4)5/h9-13,22-23,25,28-31,38-39H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C33H45NO7,pos_1_1proton,567.3196027799999,AKGNQELVIPFFIJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12261,4510,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BJUSJVLOCSEFRP-UHFFFAOYSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)27-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(27,6)31(39)30(40-20(3)35)28(18)32(22,4)5/h9-13,22-23,25,27,29-31,38-39H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C33H45NO7,pos_1_1proton,567.3196027799999,BJUSJVLOCSEFRP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12262,4510,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BXXBKJMBBMMFCK-YQPTXOFRSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)17-22-28(37)26-19(2)25(41-31(39)23(34(7)8)16-21-12-10-9-11-13-21)14-15-33(26,6)30(38)29(40-20(3)35)27(18)32(22,4)5/h9-13,22-23,25-26,28-30,37-38H,2,14-17H2,1,3-8H3/t22-,23?,25-,26-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C33H45NO7,pos_1_1proton,567.31960278,BXXBKJMBBMMFCK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12263,4508,963,Polyketides,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1ethylamine,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12264,4507,923,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BJBUTJQYZDYRMJ-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1,C17H14O6,pos_1_1proton,314.07903816799995,BJBUTJQYZDYRMJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus crispa,791101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus alnobetula'],7,3,8.5 12265,4505,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,PGSXQGHJRODCQQ-GQAUQGLESA-N,"InChI=1S/C25H34O10/c1-31-21-11-15(4-3-9-26)5-7-19(21)34-17(13-27)10-16-6-8-20(22(12-16)32-2)35-25-24(30)23(29)18(28)14-33-25/h5-8,11-12,17-18,23-30H,3-4,9-10,13-14H2,1-2H3/t17-,18-,23+,24-,25+/m1/s1",COc1cc(CCCO)ccc1O[C@@H](CO)Cc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C25H34O10,pos_2_2proton2acetonitrile,494.2151972879998,PGSXQGHJRODCQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 12266,4504,2480,Terpenoids,Sesquiterpenoids,Apocarotenoids(ε-),0.0,MS1_match,GWTOQEBQDIMEKO-HJTDWNHISA-N,"InChI=1S/C32H46O5/c1-9-36-27(33)14-15-29(7)24(20(2)3)10-11-26-25(29)13-17-32(26)22(5)12-16-30(32,8)23(6)19-31(35)18-21(4)28(34)37-31/h11-12,18,23-25,35H,2,9-10,13-17,19H2,1,3-8H3/t23-,24+,25-,29+,30+,31+,32+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(C)=CC[C@@]3(C)[C@H](C)C[C@]2(O)C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)OCC,C32H46O5,pos_2_1magnesium,510.334524572,GWTOQEBQDIMEKO,Terpenoids,Diterpenoids,,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,1,6.5 12267,4503,-1,,,,0.915642,ISDB,BZLUBAWCHRXHLR-ZENKMJSXSA-N,"InChI=1S/C15H18O2/c1-8-7-11-15(4)9(2)10-5-6-16-12(10)13(17-11)14(8,15)3/h5-6,8,11,13H,2,7H2,1,3-4H3/t8-,11-,13-,14-,15-/m1/s1",C=C1c2ccoc2[C@H]2O[C@@H]3C[C@@H](C)[C@@]2(C)[C@]13C,C15H18O2,,230.130679816,BZLUBAWCHRXHLR,Terpenoids,Sesquiterpenoids,Pinguisane sesquiterpenoids,Trocholejeunea sandvicensis,502852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Lejeuneaceae'],['Unknown'],['Trocholejeunea'],['Trocholejeunea sandvicensis'],3,0,6.662568092346191 12268,4501,-1,,,,0.0,MS1_match,RHTMFBCTQXIHQT-OZWSFNHBSA-N,"InChI=1S/C25H28O13/c1-32-12-7-10(5-6-11(12)37-25-21(31)20(30)17(27)15(9-26)38-25)22-24(35-4)19(29)16-13(36-22)8-14(33-2)23(34-3)18(16)28/h5-8,15,17,20-21,25-28,30-31H,9H2,1-4H3/t15-,17+,20+,21-,25-/m1/s1",COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C25H28O13,pos_1_1proton,536.152990956,RHTMFBCTQXIHQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 12269,4499,232,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,XQSWKZNKGXASCN-WLSCENOSSA-N,"InChI=1S/C33H36O16/c34-13-21-24(36)26(38)28(40)32(48-21)46-19-11-5-4-9-17(19)14-44-31(43)23-18(35)10-6-12-20(23)47-33-29(41)27(39)25(37)22(49-33)15-45-30(42)16-7-2-1-3-8-16/h1-12,21-22,24-29,32-41H,13-15H2/t21-,22+,24-,25+,26+,27-,28-,29+,32-,33+/m0/s1",O=C(OC[C@H]1O[C@@H](Oc2cccc(O)c2C(=O)OCc2ccccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C33H36O16,pos_1_1sodium,688.200335072,XQSWKZNKGXASCN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 12270,4498,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 12271,4498,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 12272,4494,-1,,,,0.0,MS1_match,MAUAGULXOHJIER-UHFFFAOYSA-N,"InChI=1S/C25H34O8/c26-15-21-22(29)23(30)24(31)25(33-21)32-20(14-9-17-7-12-19(28)13-8-17)4-2-1-3-16-5-10-18(27)11-6-16/h5-8,10-13,20-31H,1-4,9,14-15H2",OCC1OC(OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)C(O)C(O)C1O,C25H34O8,pos_1_1proton1ammonium,462.225368048,MAUAGULXOHJIER,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 12273,4494,-1,,,,0.0,MS1_match,MAUAGULXOHJIER-UHFFFAOYSA-N,"InChI=1S/C25H34O8/c26-15-21-22(29)23(30)24(31)25(33-21)32-20(14-9-17-7-12-19(28)13-8-17)4-2-1-3-16-5-10-18(27)11-6-16/h5-8,10-13,20-31H,1-4,9,14-15H2",OCC1OC(OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)C(O)C(O)C1O,C25H34O8,pos_1_1proton1ammonium,462.225368048,MAUAGULXOHJIER,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 12274,4493,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,CCNKTMMNRPJQHV-GOSISDBHSA-N,"InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2/t18-/m1/s1",O=C(CCc1ccccc1)C[C@H](O)CCc1ccccc1,C19H22O2,pos_1_1proton,282.161979944,CCNKTMMNRPJQHV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,3,9.5 12275,4492,411,Alkaloids,Steroids,Pregnane steroids,0.2015936,ISDB,PBWFBFJNCUAIQQ-UHFFFAOYSA-N,"InChI=1S/C25H39NO3/c1-20(27)14-10-7-5-3-4-6-8-13-17-23-18-19-24(21(2)26-23)29-25(28)22-15-11-9-12-16-22/h9,11-12,15-16,21,23-24,26H,3-8,10,13-14,17-19H2,1-2H3",CC(=O)CCCCCCCCCCC1CCC(OC(=O)c2ccccc2)C(C)N1,C25H39NO3,,401.292994108,PBWFBFJNCUAIQQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,1,5.306374371051788 12276,4490,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JHPBZGSKESVROC-IGIVFXLZSA-N,"InChI=1S/C37H46O13/c1-18-26(45-19(2)38)15-25-30(49-34(43)24-13-11-10-12-14-24)32-36(9,27(46-20(3)39)16-28-37(32,17-44-28)50-23(6)42)33(48-22(5)41)31(47-21(4)40)29(18)35(25,7)8/h10-14,25-28,30-33H,15-17H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33-,36+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C37H46O13,pos_1_1proton1ethylamine,698.293841532,JHPBZGSKESVROC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12277,4489,-1,,,,0.23999293,ISDB,WEVPJDIZBLFOEP-NYQDVAGCSA-N,"InChI=1S/C24H33NO2/c1-16(2)19-11-10-17(3)24(4,21(19)12-13-23(26)27-5)14-18-15-25-22-9-7-6-8-20(18)22/h6-9,15,17,21,25H,10-14H2,1-5H3/t17-,21-,24-/m1/s1",COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@@]1(C)Cc1c[nH]c2ccccc12,C24H33NO2,,367.25112929599993,WEVPJDIZBLFOEP,,,,Greenwayodendron suaveolens,956932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Greenwayodendron'],['Greenwayodendron suaveolens'],4,0,4.959971725940704 12278,4489,-1,,,,0.23999293,ISDB,WEVPJDIZBLFOEP-NYQDVAGCSA-N,"InChI=1S/C24H33NO2/c1-16(2)19-11-10-17(3)24(4,21(19)12-13-23(26)27-5)14-18-15-25-22-9-7-6-8-20(18)22/h6-9,15,17,21,25H,10-14H2,1-5H3/t17-,21-,24-/m1/s1",COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@@]1(C)Cc1c[nH]c2ccccc12,C24H33NO2,,367.25112929599993,WEVPJDIZBLFOEP,,,,Polyalthia suaveolens,956932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Greenwayodendron'],['Greenwayodendron suaveolens'],4,0,4.959971725940704 12279,4488,-1,,,,0.48657277,ISDB,KPPSMCABJGUZGW-HYXAFXHYSA-N,"InChI=1S/C24H32O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h3,5,9,12-13,15-16,18-20,25-26H,1-2,4,6-8,10-11,14,17H2/b5-3-",Oc1cc(O)cc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O2,,352.240230264,KPPSMCABJGUZGW,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,5.946291089057922 12280,4487,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_2MNa,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12281,4487,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_2MNa,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12282,4487,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_2MNa,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12283,4487,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_2MNa,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12284,4487,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_2MNa,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12285,4487,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_2MNa,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12286,4487,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_2MNa,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12287,4487,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_2MNa,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12288,4486,232,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,XQSWKZNKGXASCN-WLSCENOSSA-N,"InChI=1S/C33H36O16/c34-13-21-24(36)26(38)28(40)32(48-21)46-19-11-5-4-9-17(19)14-44-31(43)23-18(35)10-6-12-20(23)47-33-29(41)27(39)25(37)22(49-33)15-45-30(42)16-7-2-1-3-8-16/h1-12,21-22,24-29,32-41H,13-15H2/t21-,22+,24-,25+,26+,27-,28-,29+,32-,33+/m0/s1",O=C(OC[C@H]1O[C@@H](Oc2cccc(O)c2C(=O)OCc2ccccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C33H36O16,pos_1_minus1proton2sodium,688.200335072,XQSWKZNKGXASCN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 12289,4485,-1,,,,0.0,MS1_match,AGQLGMXLTFMOAP-OEHKQELHSA-N,"InChI=1S/C23H22O11/c1-9-20(32-10(2)24)18(29)19(30)23(31-9)34-22-17(28)16-14(27)7-13(26)8-15(16)33-21(22)11-3-5-12(25)6-4-11/h3-9,18-20,23,25-27,29-30H,1-2H3/t9-,18-,19+,20-,23-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C,C23H22O11,pos_1_1proton1methanol,474.1162115239999,AGQLGMXLTFMOAP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 12290,4485,-1,,,,0.0,MS1_match,AGQLGMXLTFMOAP-OEHKQELHSA-N,"InChI=1S/C23H22O11/c1-9-20(32-10(2)24)18(29)19(30)23(31-9)34-22-17(28)16-14(27)7-13(26)8-15(16)33-21(22)11-3-5-12(25)6-4-11/h3-9,18-20,23,25-27,29-30H,1-2H3/t9-,18-,19+,20-,23-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C,C23H22O11,pos_1_1proton1methanol,474.1162115239999,AGQLGMXLTFMOAP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 12291,4485,-1,,,,0.0,MS1_match,AGQLGMXLTFMOAP-OEHKQELHSA-N,"InChI=1S/C23H22O11/c1-9-20(32-10(2)24)18(29)19(30)23(31-9)34-22-17(28)16-14(27)7-13(26)8-15(16)33-21(22)11-3-5-12(25)6-4-11/h3-9,18-20,23,25-27,29-30H,1-2H3/t9-,18-,19+,20-,23-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C,C23H22O11,pos_1_1proton1methanol,474.1162115239999,AGQLGMXLTFMOAP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 12292,4484,-1,,,,0.0,MS1_match,PFDVWJCSCYDRMZ-AUCPOXKISA-N,"InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C34H37N3O6,pos_1_1sodium,583.268235904,PFDVWJCSCYDRMZ,Alkaloids,Ornithine alkaloids,Polyamines,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 12293,4483,3529,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12294,4482,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.73551583,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.442063331604004 12295,4482,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.73551583,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.442063331604004 12296,4481,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.70053375,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.302134990692139 12297,4479,-1,,,,0.0,MS1_match,BCONTSUKLHOJAZ-VLJBHAMFSA-N,"InChI=1S/C21H30O9/c1-9-4-5-12-10(2)6-21(7-11(3)19(26)30-21)29-18(12)17(9)28-20-16(25)15(24)14(23)13(8-22)27-20/h4,7,10,12-18,20,22-25H,5-6,8H2,1-3H3/t10-,12+,13+,14+,15-,16+,17+,18+,20-,21+/m0/s1",CC1=C[C@@]2(C[C@H](C)[C@H]3CC=C(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O2)OC1=O,C21H30O9,pos_1_1sodium,426.18898254,BCONTSUKLHOJAZ,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,0,6.0 12298,4477,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FXFHFOSEURHWMO-HHTZHRADSA-N,"InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C37H50O20,pos_3_1proton2sodium,814.289544,FXFHFOSEURHWMO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,1,6.5 12299,4477,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FXFHFOSEURHWMO-HHTZHRADSA-N,"InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C37H50O20,pos_3_1proton2sodium,814.289544,FXFHFOSEURHWMO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,1,6.5 12300,4474,-1,,,,0.21675964,ISDB,QIVBVEZLUWGMPA-CJBVJWGFSA-N,"InChI=1S/C37H44O15/c1-45-26-12-19(5-8-24(26)38)7-10-31(40)49-18-30-33(42)34(43)35(44)37(52-30)51-17-23-22(11-20-6-9-25(39)27(13-20)46-2)16-50-36(23)21-14-28(47-3)32(41)29(15-21)48-4/h5-10,12-15,22-23,30,33-39,41-44H,11,16-18H2,1-4H3/b10-7+/t22-,23-,30+,33+,34-,35+,36+,37+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC[C@H]3[C@@H](Cc4ccc(O)c(OC)c4)CO[C@@H]3c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C37H44O15,,728.2680207080001,QIVBVEZLUWGMPA,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],4,0,4.867038547992706 12301,4473,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12302,4473,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12303,4473,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12304,4473,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12305,4473,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12306,4473,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12307,4473,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12308,4473,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12309,4472,632,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 12310,4472,632,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 12311,4472,632,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 12312,4472,632,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 12313,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-RDJZCZTQSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m0/s1",COc1cc([C@@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,3,8.058881998062134 12314,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Diatenopteryx sorbifolia,180177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Paullinieae'],['Diatenopteryx'],['Diatenopteryx sorbifolia'],4,3,8.058881998062134 12315,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Amaroria soulameoides,708237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Amaroria'],['Amaroria soulameoides'],4,3,8.058881998062134 12316,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Matayba arborescens,452731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Unknown'],['Matayba'],['Matayba arborescens'],4,3,8.058881998062134 12317,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],4,3,8.058881998062134 12318,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Odyendyea klaineana,6128077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Quassia'],['Quassia undulata'],4,3,8.058881998062134 12319,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Arivela viscosa,500051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Corynandra'],['Corynandra viscosa'],4,3,8.058881998062134 12320,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-UHFFFAOYSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3",COc1cc(C2Oc3c(c(OC)cc4ccc(=O)oc34)OC2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Erycibe,261703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Erycibeae'],['Erycibe'],['Unknown'],4,3,8.058881998062134 12321,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Erycibe obtusifolia,5760414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Erycibeae'],['Erycibe'],['Erycibe obtusifolia'],4,3,8.058881998062134 12322,4469,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6397205,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Simaba orinocensis,1010322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simaba'],['Simaba orinocensis'],4,3,8.058881998062134 12323,4468,759,Alkaloids,Ornithine alkaloids,Polyamines,0.4948838,ISDB,PFDVWJCSCYDRMZ-AUCPOXKISA-N,"InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C34H37N3O6,,583.268235904,PFDVWJCSCYDRMZ,Alkaloids,Ornithine alkaloids,Polyamines,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,3,9.479535222053528 12324,4467,1783,Polyketides,Cyclic polyketides,Catechols with side chains,0.7195022,ISDB,KFLDXHQJVVNZHY-CNTPUZDVSA-N,"InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-17-18-13-14-19-20(24(25)26)12-11-16-15-21(17)23(18)22(16)19/h2-3,11-14,16-23H,4-10,15H2,1H3,(H,25,26)/b3-2+/t16-,17+,18-,19-,20-,21-,22-,23-/m0/s1",C/C=C/CCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H]4[C@@H]2[C@H]1C[C@@H]4C=C[C@@H]3C(=O)O,C24H34O2,,354.255880328,KFLDXHQJVVNZHY,Polyketides,Cyclic polyketides,,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],4,2,7.878008842468262 12325,4466,-1,,,,0.5346908,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.138763189315796 12326,4465,387,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.45981038,ISDB,,,,,,,MVVJNLYWEUOESB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8392415046691895 12327,4464,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12328,4464,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12329,4464,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12330,4464,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12331,4464,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12332,4464,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12333,4464,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12334,4464,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12335,4463,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CZLWREWIXSHVJD-AYFFSUKUSA-N,"InChI=1S/C33H40O8/c1-18-24(36)17-23-29(39-20(3)34)28-19(2)25(41-26(37)14-13-22-11-9-8-10-12-22)15-16-33(28,7)31(38)30(40-21(4)35)27(18)32(23,5)6/h8-14,23,25,28-31,38H,2,15-17H2,1,3-7H3/b14-13+/t23-,25-,28-,29+,30+,31-,33+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H40O8,pos_1_1proton1ammonium,564.2723182399999,CZLWREWIXSHVJD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12336,4462,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12337,4462,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12338,4462,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12339,4462,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12340,4461,-1,,,,0.80598164,ISDB,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,10.223926544189453 12341,4459,1895,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7252884,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.401153564453125 12342,4458,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 12343,4458,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 12344,4457,-1,,,,0.2700095,ISDB,AYGOSKULTISFCW-UHFFFAOYSA-N,"InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)",CCCCCCCCCCCCCCC(O)C(O)C(N)COP(=O)(O)O,C18H40NO6P,,397.2593246299999,AYGOSKULTISFCW,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,5.080037951469421 12345,4456,-1,,,,0.80375147,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.215005874633789 12346,4454,3128,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,BIJOPUWEMBBDEG-UHFFFAOYSA-N,"InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3",COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1,C14H14O4,pos_1_1proton,246.089208928,BIJOPUWEMBBDEG,Polyketides,Naphthalenes,Naphthalenes and derivatives,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,3,8.5 12347,4454,3128,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,BIJOPUWEMBBDEG-UHFFFAOYSA-N,"InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3",COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1,C14H14O4,pos_1_1proton,246.089208928,BIJOPUWEMBBDEG,Polyketides,Naphthalenes,Naphthalenes and derivatives,Berchemia discolor,704358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia discolor'],7,3,8.5 12348,4454,3128,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,XHEPMMCLXBHCRW-UHFFFAOYSA-N,"InChI=1S/C14H14O4/c1-7-4-9-5-10(16)6-11(18-3)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3",COc1cc(O)cc2cc(C)c(C(C)=O)c(O)c12,C14H14O4,pos_1_1proton,246.089208928,XHEPMMCLXBHCRW,Polyketides,Naphthalenes,Naphthalenes and derivatives,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,3,8.5 12349,4453,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CTCUFNSATHDLRX-PWNXUCPHSA-N,"InChI=1S/C33H40O7/c1-19-25(36)17-24-18-32-20(2)26(40-27(37)14-13-23-11-9-8-10-12-23)15-16-31(32,7)28(38-21(3)34)29(39-22(4)35)33(19,32)30(24,5)6/h8-14,19,24,26,28-29H,2,15-18H2,1,3-7H3/b14-13+/t19-,24+,26+,28+,29+,31+,32+,33-/m0/s1",C=C1[C@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]34[C@@H](C)C(=O)C[C@H](C[C@]132)C4(C)C,C33H40O7,pos_1_1proton1ammonium,548.27740362,CTCUFNSATHDLRX,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 12350,4451,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],6,0,6.0 12351,4451,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],6,0,6.0 12352,4451,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DAVUWBZDLSJMFA-GMLQCYRESA-N,"InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1",C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO6,pos_2MCa,259.105587264,DAVUWBZDLSJMFA,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda serratifolia,717971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda serratifolia'],6,0,6.0 12353,4450,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5864012,ISDB,UGSOUBMAJZNSMP-NTJMZCLCSA-N,"InChI=1S/C33H48N2O3/c1-21(35(5)6)29-27(37)19-33(4)26-14-13-25-23(18-24(26)16-17-32(29,33)3)12-15-28(31(25,2)20-36)34-30(38)22-10-8-7-9-11-22/h7-11,16,18,21,25-29,36-37H,12-15,17,19-20H2,1-6H3,(H,34,38)/t21-,25-,26+,27-,28+,29+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@]4(C)CO)N(C)C,C33H48N2O3,,520.366493396,UGSOUBMAJZNSMP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.84560489654541 12354,4449,-1,,,,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MCa,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,6.0 12355,4446,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7213055,ISDB,FUCSPAVAKNCMBN-ZWOIFGKBSA-N,"InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(33-2)22(17(15)28)37-24-20(31)19(30)16(27)14(8-25)36-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24+/m1/s1",COc1cc(-c2oc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3c(=O)c2OC)ccc1O,C24H26O13,,522.1373408919998,FUCSPAVAKNCMBN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Bidens pilosa,315599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens pilosa'],4,3,8.3852219581604 12356,4446,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7213055,ISDB,FUCSPAVAKNCMBN-ZWOIFGKBSA-N,"InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(33-2)22(17(15)28)37-24-20(31)19(30)16(27)14(8-25)36-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24+/m1/s1",COc1cc(-c2oc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3c(=O)c2OC)ccc1O,C24H26O13,,522.1373408919998,FUCSPAVAKNCMBN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chrysosplenium tetrandrum,890084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Chrysosplenium'],['Chrysosplenium tetrandrum'],4,3,8.3852219581604 12357,4446,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7213055,ISDB,FUCSPAVAKNCMBN-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(33-2)22(17(15)28)37-24-20(31)19(30)16(27)14(8-25)36-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1cc(-c2oc3cc(OC)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3c(=O)c2OC)ccc1O,C24H26O13,,522.137340892,FUCSPAVAKNCMBN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chrysosplenium maximowiczii,648440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Chrysosplenium'],['Chrysosplenium maximowiczii'],4,3,8.3852219581604 12358,4445,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12359,4444,-1,,,,0.0,MS1_match,SYDMVWLQJZBPIU-UHFFFAOYSA-N,"InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3",CC(=O)OC1C(=O)C2(CO)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,C31H38O12,pos_1_1sodium,602.236326656,SYDMVWLQJZBPIU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 12360,4443,-1,,,,0.29503796,ISDB,AGCNZWSYMAFAKT-DKVGJYDWSA-N,"InChI=1S/C31H36O11/c1-16-11-12-28(27(4,5)36)22(16)31(37)26(35)39-14-29(31)20(40-17(2)32)13-21-30(15-38-21,42-18(3)33)23(29)24(28)41-25(34)19-9-7-6-8-10-19/h6-10,20-21,23-24,36-37H,11-15H2,1-5H3/t20-,21+,23-,24-,28-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(C(C)(C)O)CCC(C)=C3[C@@]3(O)C(=O)OC[C@@]123,C31H36O11,,584.225761972,AGCNZWSYMAFAKT,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,7.1801518201828 12361,4443,-1,,,,0.29503796,ISDB,AGCNZWSYMAFAKT-DKVGJYDWSA-N,"InChI=1S/C31H36O11/c1-16-11-12-28(27(4,5)36)22(16)31(37)26(35)39-14-29(31)20(40-17(2)32)13-21-30(15-38-21,42-18(3)33)23(29)24(28)41-25(34)19-9-7-6-8-10-19/h6-10,20-21,23-24,36-37H,11-15H2,1-5H3/t20-,21+,23-,24-,28-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(C(C)(C)O)CCC(C)=C3[C@@]3(O)C(=O)OC[C@@]123,C31H36O11,,584.225761972,AGCNZWSYMAFAKT,Terpenoids,Diterpenoids,Abeotaxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,0,7.1801518201828 12362,4442,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.53684175,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,9.647367000579834 12363,4442,2098,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.53684175,ISDB,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,9.647367000579834 12364,4441,-1,,,,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1methanol,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 12365,4440,2133,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,PUFTXDSOJLKZCI-JHSINFGJSA-N,"InChI=1S/C32H48N2O4/c1-19(34(5)6)23-14-15-24-22-12-13-26-29(38-20(2)35)28(33-30(37)21-10-8-7-9-11-21)27(36)18-32(26,4)25(22)16-17-31(23,24)3/h7-11,19,22-29,36H,12-18H2,1-6H3,(H,33,37)/t19-,22-,23+,24-,25-,26-,27-,28-,29+,31+,32+/m0/s1",CC(=O)O[C@H]1[C@@H](NC(=O)c2ccccc2)[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C32H48N2O4,pos_1_1proton1methanol,524.361408016,PUFTXDSOJLKZCI,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 12366,4440,2133,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,PUFTXDSOJLKZCI-JHSINFGJSA-N,"InChI=1S/C32H48N2O4/c1-19(34(5)6)23-14-15-24-22-12-13-26-29(38-20(2)35)28(33-30(37)21-10-8-7-9-11-21)27(36)18-32(26,4)25(22)16-17-31(23,24)3/h7-11,19,22-29,36H,12-18H2,1-6H3,(H,33,37)/t19-,22-,23+,24-,25-,26-,27-,28-,29+,31+,32+/m0/s1",CC(=O)O[C@H]1[C@@H](NC(=O)c2ccccc2)[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,C32H48N2O4,pos_1_1proton1methanol,524.361408016,PUFTXDSOJLKZCI,Terpenoids,Steroids,Pregnane steroids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,2,7.0 12367,4439,72,Terpenoids,Diterpenoids,Abietane diterpenoids,0.43705794,ISDB,NGBRPGLXCQJIPU-MISYRCLQSA-N,"InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1",C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O2,,298.193280072,NGBRPGLXCQJIPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],5,3,8.248231768608093 12368,4438,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SZGBZZQICXWUTP-WOAMWUDZSA-N,"InChI=1S/C33H42O8/c1-18-24-15-23-16-25(39-20(3)34)19(2)29(32(23,5)6)30(40-21(4)35)31(38)33(24,7)27(36)17-26(18)41-28(37)14-13-22-11-9-8-10-12-22/h8-14,23-27,30-31,36,38H,1,15-17H2,2-7H3/b14-13+/t23-,24-,25+,26+,27+,30-,31+,33+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C,C33H42O8,pos_1_1proton1ethylamine,566.2879683039998,SZGBZZQICXWUTP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12369,4436,-1,,,,0.9279592,ISDB,ONICYSBMOZSVKS-DBZSEJJRSA-N,"InChI=1S/C19H28O4/c1-17-5-4-14-13(15(17)7-12(20)8-17)3-2-11-6-16(21)19(22)9-18(11,14)10-23-19/h11,13-16,21-22H,2-10H2,1H3/t11-,13+,14-,15-,16-,17+,18+,19-/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@]5(O)C[C@@]43CO5)[C@@H]1CC(=O)C2,C19H28O4,,320.19875937599994,ONICYSBMOZSVKS,Terpenoids,Steroids,Androstane steroids,Trichilia claussenii,5747815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia claussenii'],3,0,6.711836814880371 12370,4431,963,Polyketides,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1ethylamine,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12371,4430,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 12372,4430,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 12373,4429,266,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.40666333,ISDB,AYDJDNNMKHXZOQ-MISYRCLQSA-N,"InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O3,,316.203844756,AYDJDNNMKHXZOQ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,10.12665331363678 12374,4427,-1,,,,0.8631767,ISDB,YUDPTGPSBJVHCN-YJUJGKJLSA-N,"InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16?/m1/s1",Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C16H18O8,,338.100167536,YUDPTGPSBJVHCN,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,7.452706813812256 12375,4426,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 12376,4426,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 12377,4426,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,9.5 12378,4426,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,9.5 12379,4425,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 12380,4425,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 12381,4423,2278,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8302586,ISDB,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,12.82103443145752 12382,4423,2278,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8302586,ISDB,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,12.82103443145752 12383,4423,2278,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8302586,ISDB,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,12.82103443145752 12384,4423,2278,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8302586,ISDB,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],8,3,12.82103443145752 12385,4423,2278,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8302586,ISDB,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,12.82103443145752 12386,4423,2278,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8302586,ISDB,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,12.82103443145752 12387,4421,-1,,,,0.29604432,ISDB,,,,,,,IUJWSEFNAUXHTB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.184177279472351 12388,4420,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XGQJTMGCTWAMED-UEDUNPOGSA-N,"InChI=1S/C35H44O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,19,26,28-32,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28-,29+,30-,31+,32+,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O10,pos_1_1proton1ethylamine,624.293447608,XGQJTMGCTWAMED,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12389,4417,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 12390,4417,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,3,9.5 12391,4417,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 12392,4417,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 12393,4417,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 12394,4415,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XEEBIXBFIAEQFZ-AJAJDKFCSA-N,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+/t11-,12-,14+,15-,16+,17-,18-,19+,20+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H26O11,pos_1_1potassium,442.14751165199976,XEEBIXBFIAEQFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],6,3,7.5 12395,4415,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XEEBIXBFIAEQFZ-AJAJDKFCSA-N,"InChI=1S/C20H26O11/c21-8-11-14(23)17(26)19(29-11)28-9-12-15(24)16(25)18(27)20(30-12)31-13(22)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-21,23-27H,8-9H2/b7-6+/t11-,12-,14+,15-,16+,17-,18-,19+,20+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H26O11,pos_1_1potassium,442.14751165199976,XEEBIXBFIAEQFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fragaria chiloensis,478620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Fragaria chiloensis'],6,3,7.5 12396,4414,-1,,,,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton1acetonitrile,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,0,9.0 12397,4414,-1,,,,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton1acetonitrile,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,0,9.0 12398,4414,-1,,,,0.0,MS1_match,DLIKSSGEMUFQOK-UHFFFAOYSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21,C21H22O10,pos_1_1proton1acetonitrile,434.1212969039999,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,0,9.0 12399,4413,-1,,,,0.6339176,ISDB,YDTIZZNTZGZHKT-KBXRYBNXSA-N,"InChI=1S/C23H22O10/c1-14(24)33-17(12-31-22(29)8-4-15-2-6-18(25)20(27)10-15)13-32-23(30)9-5-16-3-7-19(26)21(28)11-16/h2-11,17,25-28H,12-13H2,1H3/b8-4+,9-5+",CC(=O)OC(COC(=O)/C=C/c1ccc(O)c(O)c1)COC(=O)/C=C/c1ccc(O)c(O)c1,C23H22O10,,458.121296904,YDTIZZNTZGZHKT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Populus lasiocarpa,320722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus lasiocarpa'],4,0,6.535670518875122 12400,4412,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 12401,4411,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 12402,4411,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 12403,4410,336,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,0.22002488,ISDB,DTCVESNFTXDLOC-IIWCYKIJSA-N,"InChI=1S/C26H34O8/c1-12-11-14-23(5)10-9-15(27)22(3,4)17(23)16(28)19(30)25(14,7)26(21(32)33-8)18(29)13(2)34-20(31)24(12,26)6/h13-14,17,19,30H,1,9-11H2,2-8H3/t13-,14-,17+,19+,23-,24-,25+,26-/m0/s1",C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C,C26H34O8,,474.225368048,DTCVESNFTXDLOC,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Aspergillus terreus,104248.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus terreus'],1,3,3.3800995349884033 12404,4409,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 12405,4409,-1,,,,0.0,MS1_match,WYYUKFFHGFCNBT-MBPYKEKKSA-N,"InChI=1S/C21H22O9/c22-15-14(11-28-20(27)13-9-5-2-6-10-13)29-21(17(24)16(15)23)30-18(19(25)26)12-7-3-1-4-8-12/h1-10,14-18,21-24H,11H2,(H,25,26)/t14-,15-,16+,17-,18-,21+/m1/s1",O=C(OC[C@H]1O[C@@H](O[C@@H](C(=O)O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1,C21H22O9,pos_1_1sodium,418.1263822839999,WYYUKFFHGFCNBT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 12406,4409,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 12407,4409,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 12408,4409,-1,,,,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1sodium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 12409,4409,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1potassium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 12410,4409,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1potassium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12411,4409,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1potassium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 12412,4409,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1potassium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 12413,4409,-1,,,,0.0,MS1_match,CNNUKFIXGVQJSF-CQQLTZKSSA-N,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3/t15-,16-,19+,20-,21+/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C21H22O9,pos_1_1sodium,418.1263822839999,CNNUKFIXGVQJSF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 12414,4409,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1potassium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12415,4409,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 12416,4409,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 12417,4409,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 12418,4409,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],8,0,8.0 12419,4409,-1,,,,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1sodium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 12420,4409,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1potassium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 12421,4409,-1,,,,0.0,MS1_match,OVWZFLKQVPSRDZ-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3",CC1OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1O,C21H22O9,pos_1_1sodium,418.126382284,OVWZFLKQVPSRDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,0,8.0 12422,4408,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KOTXAHKUCAQPQA-AAUVPWARSA-N,"InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23?,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1",CC(=O)O[C@H]1CC2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C35H47NO10,pos_1_1proton,641.319996704,KOTXAHKUCAQPQA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12423,4408,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XGQJTMGCTWAMED-UEDUNPOGSA-N,"InChI=1S/C35H44O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,19,26,28-32,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28-,29+,30-,31+,32+,34-,35-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@H]12)C3(C)C,C35H44O10,pos_1_1proton1ammonium,624.293447608,XGQJTMGCTWAMED,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12424,4407,-1,,,,0.5055055,ISDB,KPPSMCABJGUZGW-HYXAFXHYSA-N,"InChI=1S/C24H32O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h3,5,9,12-13,15-16,18-20,25-26H,1-2,4,6-8,10-11,14,17H2/b5-3-",Oc1cc(O)cc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O2,,352.240230264,KPPSMCABJGUZGW,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.022022008895874 12425,4406,-1,,,,0.42017862,ISDB,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,7.68071448802948 12426,4405,2304,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.4626023,ISDB,JTYUIQIWSMPTDQ-RRWISKKNSA-N,"InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26(39)30-32(3)20-41-35(30,18-24(25)13-15-33(29,34)4)16-14-28(32)36-31(40)23-11-9-8-10-12-23/h8-14,16,21,25-30,39H,15,17-20H2,1-7H3,(H,36,40)/t21-,25+,26-,27+,28-,29-,30-,32+,33+,34-,35+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H48N2O5,,576.356322636,JTYUIQIWSMPTDQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,10.350409150123596 12427,4404,1523,Alkaloids,Tyrosine alkaloids,Cinnamic acid amides,0.6494873,ISDB,PLPYUGCDZJGGIM-UXBLZVDNSA-N,"InChI=1S/C19H21NO4/c1-20(12-11-14-3-7-16(21)8-4-14)19(23)10-6-15-5-9-17(22)18(13-15)24-2/h3-10,13,21-22H,11-12H2,1-2H3/b10-6+",COc1cc(/C=C/C(=O)N(C)CCc2ccc(O)cc2)ccc1O,C19H21NO4,,327.147058152,PLPYUGCDZJGGIM,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Galanthus elwesii,1090686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Galanthus'],['Galanthus elwesii'],4,3,8.097949266433716 12428,4403,1734,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QIBTYQFSZFGWCS-YETGDIJESA-N,"InChI=1S/C33H36O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-2,5-9,12-16,24,29,31-34,36-40,42H,3-4,10-11,17-18H2/b14-7+/t24-,29+,31-,32+,33-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H36O12,pos_1_1sodium,624.220676592,QIBTYQFSZFGWCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 12429,4403,1734,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,FBJBPTHRQGMFOK-ZRAWXLKHSA-N,"InChI=1S/C30H40O13/c31-15-30(39)16-41-29(27(30)38)40-14-23-24(35)25(36)26(37)28(43-23)42-22(12-6-18-3-9-20(33)10-4-18)13-21(34)11-5-17-1-7-19(32)8-2-17/h1-4,7-10,22-29,31-33,35-39H,5-6,11-16H2/t22-,23+,24+,25-,26+,27-,28+,29+,30+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C30H40O13,pos_1_1potassium,608.2468913399999,FBJBPTHRQGMFOK,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 12430,4402,1774,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QIBTYQFSZFGWCS-YETGDIJESA-N,"InChI=1S/C33H36O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-2,5-9,12-16,24,29,31-34,36-40,42H,3-4,10-11,17-18H2/b14-7+/t24-,29+,31-,32+,33-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H36O12,pos_1_1proton1ammonium,624.220676592,QIBTYQFSZFGWCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 12431,4401,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12432,4399,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12433,4398,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 12434,4397,1628,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.60352117,ISDB,KQPMIGNYSJUHRD-VQKBPVDWSA-N,"InChI=1S/C28H48N2O2/c1-17(29(6)7)22-18(31)14-26(5)21-11-10-20-24(2,3)23(30(8)9)19(32)15-28(20)16-27(21,28)13-12-25(22,26)4/h10-11,17-23,31-32H,12-16H2,1-9H3/t17-,18+,19+,20-,21-,22-,23-,25+,26-,27-,28+/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,,444.371578776,KQPMIGNYSJUHRD,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,10.914084672927856 12435,4396,2789,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.5511477,ISDB,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.704590797424316 12436,4396,2789,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.5511477,ISDB,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,11.704590797424316 12437,4396,2789,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.5511477,ISDB,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,11.704590797424316 12438,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ammonium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 12439,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ammonium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,9.5 12440,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ammonium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],8,3,9.5 12441,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ammonium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 12442,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ammonium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,9.5 12443,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton1ammonium,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 12444,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ammonium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 12445,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ammonium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 12446,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton1ammonium,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 12447,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,CNNUKFIXGVQJSF-CQQLTZKSSA-N,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3/t15-,16-,19+,20-,21+/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C21H22O9,pos_1_1proton1ammonium,418.1263822839999,CNNUKFIXGVQJSF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 12448,4394,1795,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavanones,0.0,MS1_match,OVWZFLKQVPSRDZ-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3",CC1OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1O,C21H22O9,pos_1_1proton1ammonium,418.126382284,OVWZFLKQVPSRDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,3,9.5 12449,4393,-1,,,,0.36391258,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus neoniveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,2.4556503295898438 12450,4393,-1,,,,0.36391258,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus niveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,2.4556503295898438 12451,4391,293,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IGAXGECSCJPYKE-AWTYVZHISA-N,"InChI=1S/C30H50N2O3/c1-19(31(6)7)25-21(34)16-28(5)23-11-10-22-26(3,18-35-20(2)33)24(32(8)9)12-13-29(22)17-30(23,29)15-14-27(25,28)4/h10-11,19,21-25,34H,12-18H2,1-9H3/t19-,21+,22-,23-,24-,25-,26+,27+,28-,29+,30-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13,C30H50N2O3,pos_1_1proton,486.38214346,IGAXGECSCJPYKE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12452,4390,-1,,,,0.7284977,ISDB,SAEZZWNICTYMTI-UHFFFAOYSA-N,"InChI=1S/C14H16O4/c1-8-3-5-13-7-10(16)17-11(13)12(2)9(15)4-6-14(8,12)18-13/h4,6,8,11H,3,5,7H2,1-2H3",CC1CCC23CC(=O)OC2C2(C)C(=O)C=CC12O3,C14H16O4,,248.104858992,SAEZZWNICTYMTI,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Parthenium hysterophorus,875356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium hysterophorus'],4,0,6.91399073600769 12453,4389,-1,,,,0.575191,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,9.300764083862305 12454,4388,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ethylamine,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12455,4388,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ethylamine,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12456,4388,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AKGNQELVIPFFIJ-UHFFFAOYSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)28-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(28,6)31(40-20(3)35)30(39)27(18)32(22,4)5/h9-13,22-23,25,28-31,38-39H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C33H45NO7,pos_1_1proton,567.3196027799999,AKGNQELVIPFFIJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12457,4388,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BJUSJVLOCSEFRP-UHFFFAOYSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)27-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(27,6)31(39)30(40-20(3)35)28(18)32(22,4)5/h9-13,22-23,25,27,29-31,38-39H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C33H45NO7,pos_1_1proton,567.3196027799999,BJUSJVLOCSEFRP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12458,4388,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BXXBKJMBBMMFCK-YQPTXOFRSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)17-22-28(37)26-19(2)25(41-31(39)23(34(7)8)16-21-12-10-9-11-13-21)14-15-33(26,6)30(38)29(40-20(3)35)27(18)32(22,4)5/h9-13,22-23,25-26,28-30,37-38H,2,14-17H2,1,3-8H3/t22-,23?,25-,26-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C33H45NO7,pos_1_1proton,567.31960278,BXXBKJMBBMMFCK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12459,4387,-1,,,,0.40622625,ISDB,DKMGVACNAAKVRR-MRBSYODNSA-N,"InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+",CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,DKMGVACNAAKVRR,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.624904990196228 12460,4386,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.8842137,ISDB,LSXMHNJGHRDFGB-MUGBGTHKSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,10-12,16H,4-5H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1",CC1=C[C@@H](O)[C@@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13,C15H18O4,,262.120509056,LSXMHNJGHRDFGB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Meeboldia yunnanensis,417161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Meeboldia'],['Meeboldia yunnanensis'],3,3,8.03685474395752 12461,4384,-1,,,,0.37348035,ISDB,CKDZIXLGCFHXCI-JMLMEZNISA-N,"InChI=1S/C35H39N3O8/c1-46-32-24-27(8-15-30(32)41)10-17-34(44)36-19-2-3-21-38(35(45)18-11-26-7-14-29(40)31(42)23-26)22-4-20-37-33(43)16-9-25-5-12-28(39)13-6-25/h5-18,23-24,39-42H,2-4,19-22H2,1H3,(H,36,44)(H,37,43)/b16-9+,17-10+,18-11+",COc1cc(/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2ccc(O)cc2)C(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,C35H39N3O8,,629.273715208,CKDZIXLGCFHXCI,Alkaloids,Ornithine alkaloids,Polyamines,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],4,0,5.493921399116516 12462,4382,963,Polyketides,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1ethylamine,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12463,4381,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,FTFZXPBVBBJTHV-OGJJZOIMSA-N,"InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C19H20O9,pos_1_1proton,392.11073222,FTFZXPBVBBJTHV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,3,7.5 12464,4380,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12465,4380,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12466,4380,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12467,4380,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12468,4380,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12469,4380,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12470,4380,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12471,4380,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12472,4379,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,2,9.0 12473,4379,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,2,9.0 12474,4378,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12475,4378,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1sodium,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12476,4378,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1sodium,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12477,4378,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1sodium,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12478,4378,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12479,4378,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1sodium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12480,4378,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12481,4378,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12482,4376,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12483,4376,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12484,4376,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12485,4376,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12486,4375,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.73380905,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.43523621559143 12487,4375,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.73380905,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.43523621559143 12488,4374,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YEBGGMLBPBFLRT-MYWFVLACSA-N,"InChI=1S/C41H50O16/c1-21-30(57-33(48)16-15-28-13-11-10-12-14-28)18-32(53-24(4)44)40(20-50-22(2)42)34(21)35(54-25(5)45)29-17-31(52-23(3)43)39(9)41(49,38(29,8)19-51-39)37(56-27(7)47)36(40)55-26(6)46/h10-16,29-32,34-37,49H,1,17-20H2,2-9H3/b16-15+/t29-,30-,31?,32-,34-,35+,36-,37-,38-,39+,40+,41-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(OC(C)=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C41H50O16,pos_1_1proton1ammonium,798.30988552,YEBGGMLBPBFLRT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12489,4373,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QLIOXOVTRYEVGV-KWYVMQCFSA-N,"InChI=1S/C35H44O11/c1-19-27(40)17-30(46-31(42)14-13-24-11-9-8-10-12-24)25(18-36)15-28(41)26-16-29(43-21(3)37)20(2)32(35(26,6)7)34(45-23(5)39)33(19)44-22(4)38/h8-15,26-30,34,36,40-41H,16-18H2,1-7H3/b14-13+,25-15+,33-19+/t26-,27+,28-,29-,30-,34+/m1/s1",CC(=O)O/C1=C(\C)[C@@H](O)C[C@@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@@H](O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@@H]1OC(C)=O)C2(C)C,C35H44O11,pos_1_1proton1ethylamine,640.288362228,QLIOXOVTRYEVGV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 12490,4373,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QLIOXOVTRYEVGV-KWYVMQCFSA-N,"InChI=1S/C35H44O11/c1-19-27(40)17-30(46-31(42)14-13-24-11-9-8-10-12-24)25(18-36)15-28(41)26-16-29(43-21(3)37)20(2)32(35(26,6)7)34(45-23(5)39)33(19)44-22(4)38/h8-15,26-30,34,36,40-41H,16-18H2,1-7H3/b14-13+,25-15+,33-19+/t26-,27+,28-,29-,30-,34+/m1/s1",CC(=O)O/C1=C(\C)[C@@H](O)C[C@@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@@H](O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@@H]1OC(C)=O)C2(C)C,C35H44O11,pos_1_1proton1ethylamine,640.288362228,QLIOXOVTRYEVGV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,3,7.5 12491,4372,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.30687118,ISDB,RNDNBGULZNCSNB-LYFQOWASSA-N,"InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30-/m1/s1",O=C1Oc2cc(O)c3c(c2[C@@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@H](O)C3,C30H22O10,,542.121296904,RNDNBGULZNCSNB,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,7.727484703063965 12492,4372,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.30687118,ISDB,RNDNBGULZNCSNB-LYFQOWASSA-N,"InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30-/m1/s1",O=C1Oc2cc(O)c3c(c2[C@@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@H](O)C3,C30H22O10,,542.121296904,RNDNBGULZNCSNB,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],5,3,7.727484703063965 12493,4370,340,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,SVYGEXBYZBSPNY-JTQLQIEISA-N,"InChI=1S/C16H22O5/c1-9(2)5-11(17)6-10(3)12-7-15(19)13(8-14(12)18)16(20)21-4/h7-10,18-19H,5-6H2,1-4H3/t10-/m0/s1",COC(=O)c1cc(O)c([C@@H](C)CC(=O)CC(C)C)cc1O,C16H22O5,pos_1_1proton1ethylamine,294.146723804,SVYGEXBYZBSPNY,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,7.5 12494,4369,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VWSUJEGUHSFZDW-OCWOEGCQSA-N,"InChI=1S/C37H44O14/c1-19-26(51-29(43)14-13-24-11-9-8-10-12-24)16-28(48-21(3)39)36(18-46-20(2)38)30(19)31(49-22(4)40)25-15-27(42)35(7)37(45,34(25,6)17-47-35)32(44)33(36)50-23(5)41/h8-14,25-26,28,30-33,44-45H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O14,pos_1_1proton1ethylamine,712.2731060879998,VWSUJEGUHSFZDW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12495,4369,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MQEGHHBOQKLTGK-OCWOEGCQSA-N,"InChI=1S/C37H44O14/c1-19-26(51-29(44)14-13-24-11-9-8-10-12-24)16-28(47-20(2)39)36(17-38)30(19)31(48-21(3)40)25-15-27(43)35(7)37(45,34(25,6)18-46-35)33(50-23(5)42)32(36)49-22(4)41/h8-14,25-26,28,30-33,38,45H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O14,pos_1_1proton1ethylamine,712.273106088,MQEGHHBOQKLTGK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12496,4369,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DTSJBDQYCSEKEO-UHFFFAOYSA-N,"InChI=1S/C37H48O14/c1-17-22(41)15-37(35(5,6)46)25(17)30(51-33(45)21-11-9-8-10-12-21)32(48-20(4)40)36(7)14-13-23(18(2)26(36)31(37)47-19(3)39)49-34-29(44)28(43)27(42)24(16-38)50-34/h8-12,23-24,26-32,34,38,42-44,46H,2,13-16H2,1,3-7H3",C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(=O)CC3(C(C)(C)O)C(OC(C)=O)C12,C37H48O14,pos_1_1proton1acetonitrile,716.304406216,DTSJBDQYCSEKEO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12497,4369,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HRDZRYUEJYVACC-GJVCWSHMSA-N,"InChI=1S/C39H48O14/c1-20-27(48-21(2)40)18-39(46)35(52-25(6)44)33-37(9,34(51-24(5)43)32(50-23(4)42)31(20)36(39,7)8)28(49-22(3)41)17-29(38(33)19-47-38)53-30(45)16-15-26-13-11-10-12-14-26/h10-16,27-29,32-35,46H,17-19H2,1-9H3/b16-15+/t27-,28-,29-,32+,33-,34-,35-,37+,38+,39+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C39H48O14,pos_1_1proton1ammonium,740.304406216,HRDZRYUEJYVACC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12498,4368,-1,,,,0.48983815,ISDB,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,9.959352612495422 12499,4367,-1,,,,0.0,MS1_match,SVYGEXBYZBSPNY-JTQLQIEISA-N,"InChI=1S/C16H22O5/c1-9(2)5-11(17)6-10(3)12-7-15(19)13(8-14(12)18)16(20)21-4/h7-10,18-19H,5-6H2,1-4H3/t10-/m0/s1",COC(=O)c1cc(O)c([C@@H](C)CC(=O)CC(C)C)cc1O,C16H22O5,pos_1_1sodium,294.146723804,SVYGEXBYZBSPNY,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 12500,4366,341,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.79059136,ISDB,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,11.662365436553955 12501,4359,-1,,,,0.23804463,ISDB,YQEDSESCWJZLEZ-UHFFFAOYSA-N,"InChI=1S/C24H35NO3/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)24(18,22)23(28)25-20/h12-14,17-18,20,22H,6-11H2,1-5H3,(H,25,28)",CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)CCC(=O)CCC1,C24H35NO3,,385.26169398,YQEDSESCWJZLEZ,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],4,0,4.952178537845612 12502,4358,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KZNJMVNXYDZENT-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(42)16-15-25-13-11-10-12-14-25)18-29(46-22(4)39)36(9)31(19)32(47-23(5)40)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)33(43)34(36)48-24(6)41/h10-16,26-27,29,31-34,43-44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ammonium,682.2989269119998,KZNJMVNXYDZENT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12503,4358,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HDCVJVBXAPXPOQ-NKJCUGKCSA-N,"InChI=1S/C37H46O12/c1-20-30(45-22(3)39)17-28-29(43)16-27(19-38)32(49-33(44)15-14-26-12-10-9-11-13-26)18-31(46-23(4)40)21(2)35(47-24(5)41)36(48-25(6)42)34(20)37(28,7)8/h9-16,28-32,36,38,43H,17-19H2,1-8H3/b15-14+,27-16+,35-21-/t28-,29-,30-,31-,32-,36+/m0/s1",CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C,C37H46O12,pos_1_1proton1ammonium,682.298926912,HDCVJVBXAPXPOQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12504,4358,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,FIUCYFQSNWIGHE-SDRLVIIESA-N,"InChI=1S/C37H46O12/c1-20-29(42)18-32(49-33(44)15-14-26-12-10-9-11-13-26)27(19-45-22(3)38)16-30(43)28-17-31(46-23(4)39)21(2)34(37(28,7)8)36(48-25(6)41)35(20)47-24(5)40/h9-16,28-32,36,42-43H,17-19H2,1-8H3/b15-14+,27-16+,35-20-/t28-,29+,30+,31+,32+,36-/m1/s1",CC(=O)OC/C1=C\[C@H](O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C37H46O12,pos_1_1proton1ammonium,682.298926912,FIUCYFQSNWIGHE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12505,4358,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DBZFNHBVCLHAHY-SJYNCOLHSA-N,"InChI=1S/C37H46O12/c1-19-27(49-30(43)16-15-25-13-11-10-12-14-25)18-29(42)36(9)31(19)32(46-22(4)39)26-17-28(45-21(3)38)20(2)37(44,35(26,7)8)34(48-24(6)41)33(36)47-23(5)40/h10-16,26-27,29,31-34,42,44H,1,17-18H2,2-9H3/b16-15+/t26-,27-,29-,31-,32+,33-,34-,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C37H46O12,pos_1_1proton1ammonium,682.298926912,DBZFNHBVCLHAHY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,3,7.5 12506,4357,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.79840374,ISDB,OCBGWPJNUZMLCA-UHFFFAOYSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3",COc1cc(C2Oc3c(OC)cc4ccc(=O)oc4c3OC2CO)ccc1O,C20H18O8,,386.100167536,OCBGWPJNUZMLCA,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,3,10.693614959716797 12507,4357,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.79840374,ISDB,OCBGWPJNUZMLCA-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,OCBGWPJNUZMLCA,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Christiana africana,507914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Christiana'],['Christiana africana'],6,3,10.693614959716797 12508,4357,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.79840374,ISDB,OCBGWPJNUZMLCA-RDJZCZTQSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@H]2CO)ccc1O,C20H18O8,,386.100167536,OCBGWPJNUZMLCA,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Hibiscus taiwanensis,6117615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus taiwanensis'],6,3,10.693614959716797 12509,4356,-1,,,,0.0,MS1_match,FEIQZMJQJPRWFW-UHFFFAOYSA-N,"InChI=1S/C34H26O13/c1-41-17-11-20(36)27-25(13-17)46-32(31(40)29(27)38)16-6-8-23(24(10-16)43-3)45-22-7-5-15(9-19(22)35)33-34(44-4)30(39)28-21(37)12-18(42-2)14-26(28)47-33/h5-14,35-37,40H,1-4H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(Oc4ccc(-c5oc6cc(OC)cc(O)c6c(=O)c5OC)cc4O)c(OC)c3)oc2c1,C34H26O13,pos_2_1magnesium,642.137340892,FEIQZMJQJPRWFW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Spiraea brahuica,5527789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea brahuica'],6,0,6.0 12510,4355,-1,,,,0.49544892,ISDB,PBWFBFJNCUAIQQ-UHFFFAOYSA-N,"InChI=1S/C25H39NO3/c1-20(27)14-10-7-5-3-4-6-8-13-17-23-18-19-24(21(2)26-23)29-25(28)22-15-11-9-12-16-22/h9,11-12,15-16,21,23-24,26H,3-8,10,13-14,17-19H2,1-2H3",CC(=O)CCCCCCCCCCC1CCC(OC(=O)c2ccccc2)C(C)N1,C25H39NO3,,401.292994108,PBWFBFJNCUAIQQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,0,5.98179566860199 12511,4354,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 12512,4354,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 12513,4351,759,Alkaloids,Ornithine alkaloids,Polyamines,0.3002428,ISDB,PYXJSYQYQYNWGP-OISSRVDXSA-N,"InChI=1S/C34H37N3O7/c38-28-12-4-25(5-13-28)9-17-32(42)35-20-1-2-22-37(34(44)19-11-27-8-16-30(40)31(41)24-27)23-3-21-36-33(43)18-10-26-6-14-29(39)15-7-26/h4-19,24,38-41H,1-3,20-23H2,(H,35,42)(H,36,43)/b17-9+,18-10+,19-11+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)c(O)c1,C34H37N3O7,,599.2631505239999,PYXJSYQYQYNWGP,Alkaloids,Ornithine alkaloids,Polyamines,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],4,3,6.700971245765686 12514,4350,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6155262,ISDB,FSHKRIFUEGZCIN-QUAQUOSGSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22?,25-,27-,29?,31+/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Buddleja coriacea,6073515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja coriacea'],3,3,6.962104797363281 12515,4350,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6155262,ISDB,FSHKRIFUEGZCIN-DPFCLURTSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa canina,333885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa canina'],3,3,6.962104797363281 12516,4350,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6155262,ISDB,FSHKRIFUEGZCIN-DPFCLURTSA-N,"InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O,C31H28O14,,624.147905576,FSHKRIFUEGZCIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Marrubium velutinum,6081214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Marrubieae'],['Marrubium'],['Marrubium velutinum'],3,3,6.962104797363281 12517,4349,-1,,,,0.0,MS1_match,BEHTXUBGUDGCNQ-IEAAAIHOSA-N,"InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)/t30-,31-,32+,35-,36+,37+,38-,40-,44+,45-,46+/m0/s1",CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C46H57NO14,pos_1_minus1proton1magnesium,847.3779055040001,BEHTXUBGUDGCNQ,Terpenoids,Diterpenoids,Taxane diterpenoids,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,0,6.0 12518,4348,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.70019925,ISDB,LVDBEFRVSYPLRQ-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-23-9-6-10(19)14-12(7-9)26-17(18(25-3)16(14)22)8-4-11(20)15(21)13(5-8)24-2/h4-7,19-21H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(O)c(OC)c3)oc2c1,C18H16O8,,360.0845174719999,LVDBEFRVSYPLRQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum pubescens,47884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pubescens'],4,3,8.30079698562622 12519,4348,536,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.70019925,ISDB,LVDBEFRVSYPLRQ-UHFFFAOYSA-N,"InChI=1S/C18H16O8/c1-23-9-6-10(19)14-12(7-9)26-17(18(25-3)16(14)22)8-4-11(20)15(21)13(5-8)24-2/h4-7,19-21H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(O)c(O)c(OC)c3)oc2c1,C18H16O8,,360.0845174719999,LVDBEFRVSYPLRQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aeonium,36120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Aeonium'],['Unknown'],4,3,8.30079698562622 12520,4346,-1,,,,0.80204296,ISDB,UJFQJDAESQJXTG-UFUZVNNQSA-N,"InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O4,,332.19875937599994,UJFQJDAESQJXTG,Terpenoids,Diterpenoids,Gibberellins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,9.208171844482422 12521,4344,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80383295,ISDB,FUCSPAVAKNCMBN-ZWOIFGKBSA-N,"InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(33-2)22(17(15)28)37-24-20(31)19(30)16(27)14(8-25)36-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24+/m1/s1",COc1cc(-c2oc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3c(=O)c2OC)ccc1O,C24H26O13,,522.1373408919998,FUCSPAVAKNCMBN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Bidens pilosa,315599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens pilosa'],4,3,8.715331792831421 12522,4344,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80383295,ISDB,FUCSPAVAKNCMBN-ZWOIFGKBSA-N,"InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(33-2)22(17(15)28)37-24-20(31)19(30)16(27)14(8-25)36-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24+/m1/s1",COc1cc(-c2oc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3c(=O)c2OC)ccc1O,C24H26O13,,522.1373408919998,FUCSPAVAKNCMBN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chrysosplenium tetrandrum,890084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Chrysosplenium'],['Chrysosplenium tetrandrum'],4,3,8.715331792831421 12523,4344,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80383295,ISDB,FUCSPAVAKNCMBN-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(33-2)22(17(15)28)37-24-20(31)19(30)16(27)14(8-25)36-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1cc(-c2oc3cc(OC)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3c(=O)c2OC)ccc1O,C24H26O13,,522.137340892,FUCSPAVAKNCMBN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chrysosplenium maximowiczii,648440.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Chrysosplenium'],['Chrysosplenium maximowiczii'],4,3,8.715331792831421 12524,4343,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.6181802,ISDB,KOTXAHKUCAQPQA-AAUVPWARSA-N,"InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23?,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1",CC(=O)O[C@H]1CC2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C35H47NO10,,641.319996704,KOTXAHKUCAQPQA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,10.972720861434937 12525,4342,-1,,,,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_2MCa,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 12526,4341,986,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7975965,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.690386056900024 12527,4340,986,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.76812845,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,11.572513818740845 12528,4340,986,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.76812845,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.572513818740845 12529,4339,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.688239,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.752955913543701 12530,4339,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.688239,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.752955913543701 12531,4338,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JHPBZGSKESVROC-IGIVFXLZSA-N,"InChI=1S/C37H46O13/c1-18-26(45-19(2)38)15-25-30(49-34(43)24-13-11-10-12-14-24)32-36(9,27(46-20(3)39)16-28-37(32,17-44-28)50-23(6)42)33(48-22(5)41)31(47-21(4)40)29(18)35(25,7)8/h10-14,25-28,30-33H,15-17H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33-,36+,37-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C37H46O13,pos_1_1proton1ethylamine,698.293841532,JHPBZGSKESVROC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12532,4337,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,JLMGCBFIPZDHLZ-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c31-16-30(38)17-40-29(27(30)37)39-15-23-24(34)25(35)26(36)28(42-23)41-22(14-9-19-7-12-21(33)13-8-19)4-2-1-3-18-5-10-20(32)11-6-18/h5-8,10-13,22-29,31-38H,1-4,9,14-17H2",OCC1(O)COC(OCC2OC(OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)C(O)C(O)C2O)C1O,C30H42O12,pos_1_1proton1ammonium,594.267626784,JLMGCBFIPZDHLZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 12533,4337,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,JLMGCBFIPZDHLZ-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c31-16-30(38)17-40-29(27(30)37)39-15-23-24(34)25(35)26(36)28(42-23)41-22(14-9-19-7-12-21(33)13-8-19)4-2-1-3-18-5-10-20(32)11-6-18/h5-8,10-13,22-29,31-38H,1-4,9,14-17H2",OCC1(O)COC(OCC2OC(OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)C(O)C(O)C2O)C1O,C30H42O12,pos_1_1proton1ammonium,594.267626784,JLMGCBFIPZDHLZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 12534,4335,612,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,VVZGWJFMILUWOO-HFVZKWEFSA-N,"InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(24-2)16(9)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3/t10-,12-,13+,14-,17+/m1/s1",COc1cc2oc(=O)ccc2c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H20O10,pos_1_1proton1ethylamine,384.1056468399999,VVZGWJFMILUWOO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,2,9.0 12535,4333,-1,,,,0.0,MS1_match,JLMGCBFIPZDHLZ-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c31-16-30(38)17-40-29(27(30)37)39-15-23-24(34)25(35)26(36)28(42-23)41-22(14-9-19-7-12-21(33)13-8-19)4-2-1-3-18-5-10-20(32)11-6-18/h5-8,10-13,22-29,31-38H,1-4,9,14-17H2",OCC1(O)COC(OCC2OC(OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)C(O)C(O)C2O)C1O,C30H42O12,pos_1_1sodium,594.267626784,JLMGCBFIPZDHLZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 12536,4333,-1,,,,0.0,MS1_match,JLMGCBFIPZDHLZ-UHFFFAOYSA-N,"InChI=1S/C30H42O12/c31-16-30(38)17-40-29(27(30)37)39-15-23-24(34)25(35)26(36)28(42-23)41-22(14-9-19-7-12-21(33)13-8-19)4-2-1-3-18-5-10-20(32)11-6-18/h5-8,10-13,22-29,31-38H,1-4,9,14-17H2",OCC1(O)COC(OCC2OC(OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)C(O)C(O)C2O)C1O,C30H42O12,pos_1_1sodium,594.267626784,JLMGCBFIPZDHLZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 12537,4332,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12538,4331,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.79587674,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,10.683506965637207 12539,4331,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.79587674,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,3,10.683506965637207 12540,4331,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.79587674,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,3,10.683506965637207 12541,4330,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,FTFZXPBVBBJTHV-OGJJZOIMSA-N,"InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C19H20O9,pos_1_1proton,392.11073222,FTFZXPBVBBJTHV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,3,7.5 12542,4329,-1,,,,0.0,MS1_match,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,pos_1_1proton,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 12543,4328,-1,,,,0.5196105,ISDB,AENZWKGHCPXWBZ-APKZJJHSSA-N,"InChI=1S/C29H50N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h17-26,32H,8-16H2,1-7H3/t18-,19-,20-,21+,22-,23-,24-,25-,26+,28+,29+/m0/s1",CC(C)[C@@H]1CN([C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]43)[C@H]2O)C1=O,C29H50N2O2,,458.3872288399999,AENZWKGHCPXWBZ,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,8.078442096710205 12544,4327,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7383457,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.453382730484009 12545,4327,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7383457,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.453382730484009 12546,4326,-1,,,,0.6467641,ISDB,GPFVBJYXFRIOFB-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1",CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H28O3,,316.203844756,GPFVBJYXFRIOFB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,8.587056398391724 12547,4323,227,Fatty acids,Diterpenoids,Fatty alcohols,0.552253,ISDB,JAKAZHIACKJNNB-RTBURBONSA-N,"InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3/t18-,19-/m1/s1",C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O,C19H34O4,,326.24570956799994,JAKAZHIACKJNNB,Fatty acids,Fatty acyls,Fatty alcohols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],3,3,6.709012031555176 12548,4322,1541,Fatty acids,Steroids,Steroidal alkaloids,0.0,MS1_match,ZYTVGXYHWPMUEB-WUOWTSEOSA-N,"InChI=1S/C28H44N2O3/c1-16(2)14-24(32)29-22-11-13-27(4)19-10-12-28(5)21(18(19)8-9-20(27)26(22)33)15-23(31)25(28)17(3)30(6)7/h11,14,17-21,23,25,31H,8-10,12-13,15H2,1-7H3,(H,29,32)/t17-,18+,19-,20-,21-,23-,25-,27+,28-/m0/s1",CC(C)=CC(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@@H]32)C1=O,C28H44N2O3,pos_1_1proton,456.335193268,ZYTVGXYHWPMUEB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Pachysandra axillaris,23919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra axillaris'],6,3,7.5 12549,4318,-1,,,,0.27313864,ISDB,ZOCVOIBPLFDXFZ-HTLHVMMUSA-N,"InChI=1S/C31H37NO7/c1-16-13-22-21(25(16)35)14-19(11-12-33)15-23-26-29(4,5)31(26,39-18(3)34)27(17(2)30(22,23)37)38-28(36)20-9-7-8-10-24(20)32-6/h7-10,12-13,15,17,21-23,26-27,32,37H,11,14H2,1-6H3/t17-,21+,22-,23+,26-,27-,30+,31-/m1/s1",CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CC=O)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C31H37NO7,,535.2570025239999,ZOCVOIBPLFDXFZ,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Shirakiopsis indica,3914924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Unknown'],['Shirakiopsis'],['Shirakiopsis indica'],3,0,4.092554569244385 12550,4316,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 12551,4316,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 12552,4314,341,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7552859,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.521143674850464 12553,4313,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12554,4313,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12555,4313,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12556,4313,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12557,4313,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12558,4313,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12559,4313,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12560,4313,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12561,4312,1740,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12562,4311,1709,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 12563,4310,-1,,,,0.0,MS1_match,QEQBTRZSJZAYTN-KRKLTZBFSA-N,"InChI=1S/C34H38O13/c1-44-30-16-21(6-12-26(30)38)7-13-31(42)47-33-32(43)29(41)18-45-34(33)46-23(9-3-20-5-11-25(37)28(40)15-20)17-22(35)8-2-19-4-10-24(36)27(39)14-19/h4-7,10-16,23,29,32-34,36-41,43H,2-3,8-9,17-18H2,1H3/b13-7+/t23-,29+,32-,33+,34-/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H](CCc3ccc(O)c(O)c3)CC(=O)CCc3ccc(O)c(O)c3)OC[C@@H](O)[C@@H]2O)ccc1O,C34H38O13,pos_1_1sodium,654.231241276,QEQBTRZSJZAYTN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12564,4307,-1,,,,0.0,MS1_match,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,pos_1_1proton,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12565,4306,475,Polyketides,Naphthalenes,Naphthoquinones,0.0,MS1_match,ITBVMLGZYFLEOG-UHFFFAOYSA-N,"InChI=1S/C21H12O6/c1-8-6-10-14(11(22)7-8)18(24)20-15(17(10)23)16-19(27-20)13-9(2)4-3-5-12(13)26-21(16)25/h3-7,22H,1-2H3",Cc1cc(O)c2c(c1)C(=O)c1c(oc3c1c(=O)oc1cccc(C)c13)C2=O,C21H12O6,pos_1_1proton1methanol,360.063388104,ITBVMLGZYFLEOG,Polyketides,Naphthalenes,Naphthoquinones,Diospyros mcphersonii,945375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros crassiflora'],7,3,8.5 12566,4306,475,Polyketides,Naphthalenes,Naphthoquinones,0.0,MS1_match,ITBVMLGZYFLEOG-UHFFFAOYSA-N,"InChI=1S/C21H12O6/c1-8-6-10-14(11(22)7-8)18(24)20-15(17(10)23)16-19(27-20)13-9(2)4-3-5-12(13)26-21(16)25/h3-7,22H,1-2H3",Cc1cc(O)c2c(c1)C(=O)c1c(oc3c1c(=O)oc1cccc(C)c13)C2=O,C21H12O6,pos_1_1proton1methanol,360.063388104,ITBVMLGZYFLEOG,Polyketides,Naphthalenes,Naphthoquinones,Diospyros crassiflora,945375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros crassiflora'],7,3,8.5 12567,4304,1774,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QEQBTRZSJZAYTN-KRKLTZBFSA-N,"InChI=1S/C34H38O13/c1-44-30-16-21(6-12-26(30)38)7-13-31(42)47-33-32(43)29(41)18-45-34(33)46-23(9-3-20-5-11-25(37)28(40)15-20)17-22(35)8-2-19-4-10-24(36)27(39)14-19/h4-7,10-16,23,29,32-34,36-41,43H,2-3,8-9,17-18H2,1H3/b13-7+/t23-,29+,32-,33+,34-/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H](CCc3ccc(O)c(O)c3)CC(=O)CCc3ccc(O)c(O)c3)OC[C@@H](O)[C@@H]2O)ccc1O,C34H38O13,pos_1_1proton1ammonium,654.231241276,QEQBTRZSJZAYTN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 12568,4303,1830,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5295878,ISDB,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],4,3,7.618351221084595 12569,4302,-1,,,,0.0,MS1_match,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,pos_1_1proton,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 12570,4301,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 12571,4301,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 12572,4300,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,CCNKTMMNRPJQHV-SFHVURJKSA-N,"InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2/t18-/m0/s1",O=C(CCc1ccccc1)C[C@@H](O)CCc1ccccc1,C19H22O2,pos_1_1proton,282.161979944,CCNKTMMNRPJQHV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus maximowiczii,1071688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus maximowiczii'],6,3,7.5 12573,4300,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,CCNKTMMNRPJQHV-SFHVURJKSA-N,"InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2/t18-/m0/s1",O=C(CCc1ccccc1)C[C@@H](O)CCc1ccccc1,C19H22O2,pos_1_1proton,282.161979944,CCNKTMMNRPJQHV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 12574,4300,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,CCNKTMMNRPJQHV-UHFFFAOYSA-N,"InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2",O=C(CCc1ccccc1)CC(O)CCc1ccccc1,C19H22O2,pos_1_1proton,282.161979944,CCNKTMMNRPJQHV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],6,3,7.5 12575,4300,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,CCNKTMMNRPJQHV-GOSISDBHSA-N,"InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2/t18-/m1/s1",O=C(CCc1ccccc1)C[C@H](O)CCc1ccccc1,C19H22O2,pos_1_1proton,282.161979944,CCNKTMMNRPJQHV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,3,7.5 12576,4300,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,CCNKTMMNRPJQHV-GOSISDBHSA-N,"InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2/t18-/m1/s1",O=C(CCc1ccccc1)C[C@H](O)CCc1ccccc1,C19H22O2,pos_1_1proton,282.161979944,CCNKTMMNRPJQHV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],6,3,7.5 12577,4298,-1,,,,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1sodium,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 12578,4298,-1,,,,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1sodium,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 12579,4298,-1,,,,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1sodium,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 12580,4297,2789,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.83069867,ISDB,IRHAYEHCEVRWSB-QNDFHXLGSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O9,,416.11073222,IRHAYEHCEVRWSB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Malus doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],6,3,10.822794675827026 12581,4297,2789,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.83069867,ISDB,IRHAYEHCEVRWSB-QNDFHXLGSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O9,,416.11073222,IRHAYEHCEVRWSB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Docynia doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],6,3,10.822794675827026 12582,4297,2789,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.83069867,ISDB,IRHAYEHCEVRWSB-RQXATKFSSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21+/m1/s1",O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O9,,416.11073222,IRHAYEHCEVRWSB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],6,3,10.822794675827026 12583,4296,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VWSUJEGUHSFZDW-OCWOEGCQSA-N,"InChI=1S/C37H44O14/c1-19-26(51-29(43)14-13-24-11-9-8-10-12-24)16-28(48-21(3)39)36(18-46-20(2)38)30(19)31(49-22(4)40)25-15-27(42)35(7)37(45,34(25,6)17-47-35)32(44)33(36)50-23(5)41/h8-14,25-26,28,30-33,44-45H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O14,pos_1_1proton1ethylamine,712.2731060879998,VWSUJEGUHSFZDW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12584,4296,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MQEGHHBOQKLTGK-OCWOEGCQSA-N,"InChI=1S/C37H44O14/c1-19-26(51-29(44)14-13-24-11-9-8-10-12-24)16-28(47-20(2)39)36(17-38)30(19)31(48-21(3)40)25-15-27(43)35(7)37(45,34(25,6)18-46-35)33(50-23(5)42)32(36)49-22(4)41/h8-14,25-26,28,30-33,38,45H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O14,pos_1_1proton1ethylamine,712.273106088,MQEGHHBOQKLTGK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12585,4296,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,DTSJBDQYCSEKEO-UHFFFAOYSA-N,"InChI=1S/C37H48O14/c1-17-22(41)15-37(35(5,6)46)25(17)30(51-33(45)21-11-9-8-10-12-21)32(48-20(4)40)36(7)14-13-23(18(2)26(36)31(37)47-19(3)39)49-34-29(44)28(43)27(42)24(16-38)50-34/h8-12,23-24,26-32,34,38,42-44,46H,2,13-16H2,1,3-7H3",C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(=O)CC3(C(C)(C)O)C(OC(C)=O)C12,C37H48O14,pos_1_1proton1acetonitrile,716.304406216,DTSJBDQYCSEKEO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12586,4296,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HRDZRYUEJYVACC-GJVCWSHMSA-N,"InChI=1S/C39H48O14/c1-20-27(48-21(2)40)18-39(46)35(52-25(6)44)33-37(9,34(51-24(5)43)32(50-23(4)42)31(20)36(39,7)8)28(49-22(3)41)17-29(38(33)19-47-38)53-30(45)16-15-26-13-11-10-12-14-26/h10-16,27-29,32-35,46H,17-19H2,1-9H3/b16-15+/t27-,28-,29-,32+,33-,34-,35-,37+,38+,39+/m0/s1",CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C,C39H48O14,pos_1_1proton1ammonium,740.304406216,HRDZRYUEJYVACC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12587,4295,-1,,,,0.53609776,ISDB,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,7.144391059875488 12588,4294,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12589,4294,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12590,4294,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12591,4294,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12592,4293,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 12593,4293,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 12594,4293,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 12595,4293,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 12596,4293,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 12597,4293,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 12598,4293,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 12599,4293,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 12600,4293,-1,,,,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,0,8.0 12601,4293,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 12602,4293,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 12603,4293,-1,,,,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,0,8.0 12604,4293,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 12605,4293,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 12606,4293,-1,,,,0.0,MS1_match,TXLQONQJSWSJJX-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,TXLQONQJSWSJJX,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 12607,4290,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.48044127,ISDB,WKXFBVJTZFLUBO-AVTSYZAUSA-N,"InChI=1S/C17H25NO/c1-18-13-7-11-16(18)14-17(19)12-6-5-10-15-8-3-2-4-9-15/h2-5,8-10,16-17,19H,6-7,11-14H2,1H3/b10-5+/t16-,17-/m1/s1",CN1CCC[C@@H]1C[C@H](O)CC/C=C/c1ccccc1,C17H25NO,,259.19361442,WKXFBVJTZFLUBO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Darlingia darlingiana,414374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Darlingia'],['Darlingia darlingiana'],4,1,6.421765089035034 12608,4286,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87604034,ISDB,LAOQYXNUSDEVJK-HZIUKEMISA-N,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,13+,14+/m0/s1",C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1,C15H24O3,,252.172544628,LAOQYXNUSDEVJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia abrotanum,725860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia abrotanum'],4,3,9.004161357879639 12609,4286,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87604034,ISDB,LAOQYXNUSDEVJK-HZIUKEMISA-N,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,13+,14+/m0/s1",C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1,C15H24O3,,252.172544628,LAOQYXNUSDEVJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,3,9.004161357879639 12610,4286,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87604034,ISDB,LAOQYXNUSDEVJK-HZIUKEMISA-N,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,13+,14+/m0/s1",C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1,C15H24O3,,252.172544628,LAOQYXNUSDEVJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia genipi,607385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia genipi'],4,3,9.004161357879639 12611,4286,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87604034,ISDB,LAOQYXNUSDEVJK-HZIUKEMISA-N,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,13+,14+/m0/s1",C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1,C15H24O3,,252.172544628,LAOQYXNUSDEVJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia umbelliformis,324916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia umbelliformis'],4,3,9.004161357879639 12612,4286,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87604034,ISDB,LAOQYXNUSDEVJK-HZIUKEMISA-N,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,13+,14+/m0/s1",C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1,C15H24O3,,252.172544628,LAOQYXNUSDEVJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia vallesiaca,453860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia vallesiaca'],4,3,9.004161357879639 12613,4286,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87604034,ISDB,LAOQYXNUSDEVJK-HZIUKEMISA-N,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,13+,14+/m0/s1",C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1,C15H24O3,,252.172544628,LAOQYXNUSDEVJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia vulgaris,1092844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia vulgaris'],4,3,9.004161357879639 12614,4286,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87604034,ISDB,LAOQYXNUSDEVJK-HZIUKEMISA-N,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,13+,14+/m0/s1",C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1,C15H24O3,,252.172544628,LAOQYXNUSDEVJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,3,9.004161357879639 12615,4286,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.87604034,ISDB,LAOQYXNUSDEVJK-HZIUKEMISA-N,"InChI=1S/C15H24O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-14,16H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,13+,14+/m0/s1",C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1,C15H24O3,,252.172544628,LAOQYXNUSDEVJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia campestris,408655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia campestris'],4,3,9.004161357879639 12616,4285,1695,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7818867,ISDB,OVDMFKGCVWVONO-BSTGVKIKSA-N,"InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,12-14H,4,6-8H2,1-3H3/b10-5+,11-9+/t12-,13-,14+/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1,C15H22O2,,234.161979944,OVDMFKGCVWVONO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Magnolia kachirachirai,843602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kachirachirai'],7,3,11.627546787261963 12617,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,0,7.59602952003479 12618,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora guidottii,213697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora guidottii'],4,0,7.59602952003479 12619,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,0,7.59602952003479 12620,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],4,0,7.59602952003479 12621,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma aeruginosa,1081899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aeruginosa'],4,0,7.59602952003479 12622,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,0,7.59602952003479 12623,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,0,7.59602952003479 12624,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-RZWYOFBOSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-",C/C1=C/CC/C(C)=C/Cc2c(C)coc2C1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,0,7.59602952003479 12625,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,0,7.59602952003479 12626,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,0,7.59602952003479 12627,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,0,7.59602952003479 12628,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma xanthorrhiza,777745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma xanthorrhiza'],4,0,7.59602952003479 12629,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],4,0,7.59602952003479 12630,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Curcuma amada,971942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma amada'],4,0,7.59602952003479 12631,4284,-1,,,,0.8990074,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hedyosmum mexicanum,626081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Hedyosmum'],['Hedyosmum mexicanum'],4,0,7.59602952003479 12632,4283,963,Polyketides,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1ethylamine,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12633,4282,-1,,,,0.0,MS1_match,QMHSIKOTSLNLTD-VCSCPGBLSA-N,"InChI=1S/C34H44O9/c1-19-26(38)16-25-30(41-21(3)35)29-20(2)27(40-18-39-17-24-12-10-9-11-13-24)14-15-34(29,8)32(43-23(5)37)31(42-22(4)36)28(19)33(25,6)7/h9-13,25,27,29-32H,2,14-18H2,1,3-8H3/t25-,27-,29-,30+,31+,32-,34+/m0/s1",C=C1[C@@H](OCOCc2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C34H44O9,pos_1_minus1proton1magnesium,596.298532988,QMHSIKOTSLNLTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 12634,4281,881,Terpenoids,Sesquiterpenoids,Cinnamoyl phenols,0.7278401,ISDB,LMVGRKPOXLBIFQ-UHFFFAOYSA-N,"InChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3",Cc1cc2occ(C)c2cc2c(C)ccc1-2,C15H14O,,210.104465068,LMVGRKPOXLBIFQ,Terpenoids,Sesquiterpenoids,,Smyrnium perfoliatum,3891768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium perfoliatum'],3,2,6.911360502243042 12635,4280,835,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7109852,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],3,3,7.343940734863281 12636,4280,835,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7109852,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,3,7.343940734863281 12637,4277,381,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8251524,ISDB,SOAPJKOPHBEWOH-UHFFFAOYSA-N,"InChI=1S/C12H16/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3,5,7,10H,4,6,8H2,1-2H3",Cc1ccc2c(c1)CC(C)CC2,C12H16,,160.125200512,SOAPJKOPHBEWOH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.800609588623047 12638,4276,1858,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.46518478,ISDB,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,12.36073911190033 12639,4275,-1,,,,0.43850273,ISDB,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,7.754010915756226 12640,4273,-1,,,,0.47448614,ISDB,QBCQXEYQSRWFAF-TZYAJKAJSA-N,"InChI=1S/C24H35NO2/c1-22(2)11-5-12-24(4)19(22)10-13-23(3)18-14-17(7-9-21(26)27)25-15-16(18)6-8-20(23)24/h14-15,19-20H,5-13H2,1-4H3,(H,26,27)/t19-,20-,23-,24-/m0/s1",CC1(C)CCC[C@]2(C)[C@H]3CCc4cnc(CCC(=O)O)cc4[C@]3(C)CC[C@@H]12,C24H35NO2,,369.26677936,QBCQXEYQSRWFAF,Terpenoids,Sesterterpenoids,Cheilanthane sesterterpenoids,Petrosaspongia nigra,533037.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Petrosaspongia'],['Petrosaspongia nigra'],1,0,2.8979445695877075 12641,4272,558,Terpenoids,Monoterpenoids,Norlabdane diterpenoids,0.0,MS1_match,LODVZNAZFNRTCG-AHHRBRNESA-N,"InChI=1S/C23H36O4/c1-15(14-21(25)26-7)8-10-18-16(2)9-11-19-22(4,5)20(27-17(3)24)12-13-23(18,19)6/h14,18-20H,2,8-13H2,1,3-7H3/b15-14+/t18-,19-,20-,23+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC,C23H36O4,pos_2MFe,376.261359632,LODVZNAZFNRTCG,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,7.5 12642,4271,3009,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.45124567,ISDB,SSDLCRAPQKJETK-OANVXVOSSA-N,"InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4,8,12H,5-7H2,1-3H3/b10-8+/t12-/m0/s1",CC(=O)/C=C(\C)[C@H]1CC=C(C)CC1,C12H18O,,178.135765196,SSDLCRAPQKJETK,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,3,8.304982662200928 12643,4271,3009,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.45124567,ISDB,SSDLCRAPQKJETK-OANVXVOSSA-N,"InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4,8,12H,5-7H2,1-3H3/b10-8+/t12-/m0/s1",CC(=O)/C=C(\C)[C@H]1CC=C(C)CC1,C12H18O,,178.135765196,SSDLCRAPQKJETK,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cedrus atlantica,1080542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus atlantica'],5,3,8.304982662200928 12644,4270,270,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,pos_2_2proton,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12645,4270,270,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,pos_2_2proton,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12646,4270,270,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OMCZFOUSFSIOAM-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C35H50N2O3,pos_2_2proton,546.38214346,OMCZFOUSFSIOAM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12647,4268,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.78415525,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],3,3,7.636620998382568 12648,4268,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.78415525,ISDB,ZAUXXSQCVPKKPE-HNNXBMFYSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m0/s1",CC1=C2C(=O)c3c(C)coc3C[C@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Commiphora myrrha,13795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Commiphora'],['Commiphora myrrha'],3,3,7.636620998382568 12649,4267,399,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.46556738,ISDB,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.362269520759583 12650,4265,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 12651,4265,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 12652,4263,2413,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5777267,ISDB,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.810906887054443 12653,4261,-1,,,,0.0,MS1_match,OVMSOCFBDVBLFW-VHLOTGQHSA-N,"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,C31H38O11,pos_1_1sodium,586.2414120359999,OVMSOCFBDVBLFW,Terpenoids,Diterpenoids,Taxane diterpenoids,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,0,6.0 12654,4261,-1,,,,0.0,MS1_match,OVMSOCFBDVBLFW-VHLOTGQHSA-N,"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,C31H38O11,pos_1_1sodium,586.2414120359999,OVMSOCFBDVBLFW,Terpenoids,Diterpenoids,Taxane diterpenoids,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,0,6.0 12655,4259,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FKAOWOSRYSMEBS-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",COc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 12656,4259,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 12657,4258,1774,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QIBTYQFSZFGWCS-YETGDIJESA-N,"InChI=1S/C33H36O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-2,5-9,12-16,24,29,31-34,36-40,42H,3-4,10-11,17-18H2/b14-7+/t24-,29+,31-,32+,33-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H36O12,pos_1_1proton1ammonium,624.220676592,QIBTYQFSZFGWCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 12658,4257,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 12659,4254,649,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.30486703,ISDB,VUHCEJPYCQSKEW-PBVIGIQOSA-N,"InChI=1S/C15H23NO4/c1-9-5-10(2)15(20)12(6-9)4-3-11(7-13(16)17)8-14(18)19/h4,9-11H,3,5-8H2,1-2H3,(H2,16,17)(H,18,19)/b12-4+/t9-,10-,11-/m0/s1",C[C@@H]1C/C(=C\C[C@@H](CC(N)=O)CC(=O)O)C(=O)[C@@H](C)C1,C15H23NO4,,281.162708216,VUHCEJPYCQSKEW,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.719468116760254 12660,4253,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.45599213,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.323968529701233 12661,4251,-1,,,,0.25611788,ISDB,HXRRVYAXZJTHKY-CQSZACIVSA-N,"InChI=1S/C14H12O5/c1-14(17)11-8(13(16)19-14)6-7-4-3-5-9(18-2)10(7)12(11)15/h3-6,15,17H,1-2H3/t14-/m1/s1",COc1cccc2cc3c(c(O)c12)[C@](C)(O)OC3=O,C14H12O5,,260.068473484,HXRRVYAXZJTHKY,Polyketides,Naphthalenes,Naphthalenes and derivatives,Eleutherine bulbosa,484376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Tigridieae'],['Eleutherine'],['Eleutherine bulbosa'],4,0,5.0244715213775635 12662,4250,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,TVDMUSYVWJLIDK-VZJVUDMVSA-N,"InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13-,15+/m0/s1",CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C,C15H22O2,pos_1_1proton1acetonitrile,234.161979944,TVDMUSYVWJLIDK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,0,6.0 12663,4249,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_1_1sodium,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 12664,4249,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_1_1sodium,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 12665,4249,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_1_1sodium,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 12666,4249,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_1_1sodium,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 12667,4248,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_1_1proton,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 12668,4248,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_1_1proton,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 12669,4248,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_1_1proton,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 12670,4248,-1,,,,0.0,MS1_match,YFVGIJBUXMQFOF-PJOVQGMDSA-N,"InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C28H32O14,pos_1_1proton,592.1792057039999,YFVGIJBUXMQFOF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 12671,4247,1734,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,QIBTYQFSZFGWCS-YETGDIJESA-N,"InChI=1S/C33H36O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-2,5-9,12-16,24,29,31-34,36-40,42H,3-4,10-11,17-18H2/b14-7+/t24-,29+,31-,32+,33-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1,C33H36O12,pos_1_1sodium,624.220676592,QIBTYQFSZFGWCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 12672,4247,1734,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,FBJBPTHRQGMFOK-ZRAWXLKHSA-N,"InChI=1S/C30H40O13/c31-15-30(39)16-41-29(27(30)38)40-14-23-24(35)25(36)26(37)28(43-23)42-22(12-6-18-3-9-20(33)10-4-18)13-21(34)11-5-17-1-7-19(32)8-2-17/h1-4,7-10,22-29,31-33,35-39H,5-6,11-16H2/t22-,23+,24+,25-,26+,27-,28+,29+,30+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C30H40O13,pos_1_1potassium,608.2468913399999,FBJBPTHRQGMFOK,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 12673,4246,3004,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,DANYIYRPLHHOCZ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C16H12O5,pos_1_1proton,284.068473484,DANYIYRPLHHOCZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Anoda cristata,17448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Anoda'],['Anoda cristata'],6,3,7.5 12674,4245,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.37571466,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,10.002858638763428 12675,4245,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.37571466,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,10.002858638763428 12676,4245,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.37571466,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,10.002858638763428 12677,4245,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.37571466,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,10.002858638763428 12678,4243,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.24729963,ISDB,XIWMGCLILBQGSO-WPAPTHEOSA-N,"InChI=1S/C28H33NO5/c1-16-9-8-12-21-26(32)19(4)18(3)24-22(15-20-10-6-5-7-11-20)29-27(33)28(21,24)34-23(30)14-13-17(2)25(16)31/h5-8,10-13,16,18,21-22,24,26,32H,4,9,14-15H2,1-3H3,(H,29,33)/b12-8-,17-13-/t16-,18+,21-,22-,24-,26+,28-/m0/s1",C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)C/C=C(/C)C(=O)[C@@H](C)C/C=C\[C@H]3[C@@H]1O,C28H33NO5,,463.235873156,XIWMGCLILBQGSO,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus terreus,104248.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus terreus'],1,3,3.4891985058784485 12679,4241,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1sodium,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12680,4241,-1,,,,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1sodium,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12681,4241,-1,,,,0.0,MS1_match,BZGHUZGALXIEBL-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3",COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccccc1)CC2=O,C22H24O10,pos_1_1sodium,448.136946968,BZGHUZGALXIEBL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12682,4241,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-UHFFFAOYSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)",COc1cc(C=CC(=O)O)cc(OC)c1O,C11H12O5,pos_2MNa,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12683,4241,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1sodium,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12684,4241,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1potassium,432.163161716,LLEMMFPELBNINR,,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 12685,4240,234,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,MAEVGGSLCDAPGW-UHFFFAOYSA-N,"InChI=1S/C20H22O7/c1-26-17-6-10(3-4-15(17)22)19-12-8-16(23)18(27-2)7-11(12)5-13(20(24)25)14(19)9-21/h3-4,6-8,13-14,19,21-23H,5,9H2,1-2H3,(H,24,25)",COc1cc(C2c3cc(O)c(OC)cc3CC(C(=O)O)C2CO)ccc1O,C20H22O7,pos_1_1proton1ammonium,374.1365530439999,MAEVGGSLCDAPGW,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 12686,4238,-1,,,,0.0,MS1_match,UKHWOLNMBQSCLJ-BIENJYKASA-N,"InChI=1S/C20H22O7/c1-25-17-8-11(3-5-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-16(22)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O,C20H22O7,pos_1_1sodium,374.1365530439999,UKHWOLNMBQSCLJ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 12687,4238,-1,,,,0.0,MS1_match,UKHWOLNMBQSCLJ-BIENJYKASA-N,"InChI=1S/C20H22O7/c1-25-17-8-11(3-5-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-16(22)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O,C20H22O7,pos_1_1sodium,374.1365530439999,UKHWOLNMBQSCLJ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 12688,4237,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 12689,4237,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.0 12690,4236,-1,,,,0.42098185,ISDB,,,,,,,VWSNLVVBVKAHGF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6839274168014526 12691,4235,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.70878696,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.335147857666016 12692,4234,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ONNIMFBTDSHYJD-SZNYQVOFSA-N,"InChI=1S/C33H45NO9/c1-17-23(42-18(2)35)14-21-22(36)13-20-16-33(5,30(40)28(38)26(17)32(21,3)4)25(37)15-24(20)43-31(41)29(39)27(34(6)7)19-11-9-8-10-12-19/h8-13,21-25,27-29,36-39H,14-16H2,1-7H3/b20-13+/t21-,22-,23-,24-,25-,27-,28+,29+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C33H45NO9,pos_1_1proton,599.3094320199999,ONNIMFBTDSHYJD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12693,4232,236,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JJAWOGHJFADXHB-KNPJAWNNSA-N,"InChI=1S/C28H40O12/c1-12-17(33)10-27(25(6,7)35)20(12)21(34)23(38-14(3)30)26(8)18(37-13(2)29)9-19-28(11-36-19,40-16(5)32)22(26)24(27)39-15(4)31/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19+,21+,22-,23-,24-,26+,27+,28-/m0/s1",CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(C)=O)[C@]12C,C28H40O12,pos_1_1proton1ammonium,568.25197672,JJAWOGHJFADXHB,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12694,4231,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.40412983,ISDB,VNHVNFCIDMAHID-RZEGTOFJSA-N,"InChI=1S/C30H26O13/c31-13-21-24(37)28(42-22(36)10-3-14-1-6-16(32)7-2-14)26(39)30(41-21)43-29-25(38)23-19(35)11-18(34)12-20(23)40-27(29)15-4-8-17(33)9-5-15/h1-12,21,24,26,28,30-35,37,39H,13H2/b10-3+/t21-,24-,26-,28-,30+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H]1O,C30H26O13,,594.137340892,VNHVNFCIDMAHID,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,3,9.116519331932068 12695,4230,224,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZPTPAHYXDZSFJO-YYOBNSGMSA-N,"InChI=1S/C34H52N2O2/c1-22(35(6)7)24-16-17-32(5)27-15-14-26-30(2,3)28(36(8)29(38)23-12-10-9-11-13-23)25(37)20-34(26)21-33(27,34)19-18-31(24,32)4/h9-13,22,24-28,37H,14-21H2,1-8H3/t22-,24+,25+,26-,27-,28-,31+,32-,33-,34+/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)N(C)C,C34H52N2O2,pos_2_2proton,520.402878904,ZPTPAHYXDZSFJO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12696,4229,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,YCVPRTHEGLPYPB-VOTSOKGWSA-N,"InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+",Oc1cc(O)cc(/C=C/c2ccccc2)c1,C14H12O2,pos_1_1proton1methanol,212.083729624,YCVPRTHEGLPYPB,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,1,7.5 12697,4229,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,YCVPRTHEGLPYPB-VOTSOKGWSA-N,"InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+",Oc1cc(O)cc(/C=C/c2ccccc2)c1,C14H12O2,pos_1_1proton1methanol,212.083729624,YCVPRTHEGLPYPB,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montana,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],7,1,7.5 12698,4225,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.4222651,ISDB,,,,,,,ZJXMZLYOTILHPI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6890604496002197 12699,4222,-1,,,,0.0,MS1_match,PUXKQFMZRYJBBE-ZJBBONHWSA-N,"InChI=1S/C27H30O14/c1-9(28)23-20(34)22(36)27(40-23)41-25-18(32)16-14(30)7-13(38-26-21(35)19(33)17(31)10(2)37-26)8-15(16)39-24(25)11-3-5-12(29)6-4-11/h3-10,17,19-23,26-31,33-36H,1-2H3/t9-,10+,17+,19-,20+,21-,22-,23-,26+,27+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1potassium,578.16355564,PUXKQFMZRYJBBE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 12700,4222,-1,,,,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1potassium,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 12701,4222,-1,,,,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1potassium,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 12702,4219,-1,,,,0.618538,ISDB,UJGXCOFZMJCRLN-YDDBCJSBSA-N,"InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17+,18+,19-,20+,21+,22+,23-/m1/s1",C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H39NO,,345.303164868,UJGXCOFZMJCRLN,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.474152088165283 12703,4218,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74252784,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.47011137008667 12704,4218,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74252784,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.47011137008667 12705,4218,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74252784,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.47011137008667 12706,4218,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74252784,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.47011137008667 12707,4218,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74252784,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.47011137008667 12708,4218,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74252784,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.47011137008667 12709,4216,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5496634,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.69865369796753 12710,4215,-1,,,,0.0,MS1_match,QEQBTRZSJZAYTN-KRKLTZBFSA-N,"InChI=1S/C34H38O13/c1-44-30-16-21(6-12-26(30)38)7-13-31(42)47-33-32(43)29(41)18-45-34(33)46-23(9-3-20-5-11-25(37)28(40)15-20)17-22(35)8-2-19-4-10-24(36)27(39)14-19/h4-7,10-16,23,29,32-34,36-41,43H,2-3,8-9,17-18H2,1H3/b13-7+/t23-,29+,32-,33+,34-/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H](CCc3ccc(O)c(O)c3)CC(=O)CCc3ccc(O)c(O)c3)OC[C@@H](O)[C@@H]2O)ccc1O,C34H38O13,pos_2_1magnesium,654.231241276,QEQBTRZSJZAYTN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12711,4214,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QLIOXOVTRYEVGV-KWYVMQCFSA-N,"InChI=1S/C35H44O11/c1-19-27(40)17-30(46-31(42)14-13-24-11-9-8-10-12-24)25(18-36)15-28(41)26-16-29(43-21(3)37)20(2)32(35(26,6)7)34(45-23(5)39)33(19)44-22(4)38/h8-15,26-30,34,36,40-41H,16-18H2,1-7H3/b14-13+,25-15+,33-19+/t26-,27+,28-,29-,30-,34+/m1/s1",CC(=O)O/C1=C(\C)[C@@H](O)C[C@@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@@H](O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@@H]1OC(C)=O)C2(C)C,C35H44O11,pos_1_1proton1ethylamine,640.288362228,QLIOXOVTRYEVGV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 12712,4214,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QLIOXOVTRYEVGV-KWYVMQCFSA-N,"InChI=1S/C35H44O11/c1-19-27(40)17-30(46-31(42)14-13-24-11-9-8-10-12-24)25(18-36)15-28(41)26-16-29(43-21(3)37)20(2)32(35(26,6)7)34(45-23(5)39)33(19)44-22(4)38/h8-15,26-30,34,36,40-41H,16-18H2,1-7H3/b14-13+,25-15+,33-19+/t26-,27+,28-,29-,30-,34+/m1/s1",CC(=O)O/C1=C(\C)[C@@H](O)C[C@@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@@H](O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@@H]1OC(C)=O)C2(C)C,C35H44O11,pos_1_1proton1ethylamine,640.288362228,QLIOXOVTRYEVGV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,3,7.5 12713,4213,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12714,4213,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12715,4213,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12716,4213,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12717,4212,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NYZTVYMLRZLUBV-UOIGVGIGSA-N,"InChI=1S/C29H44O8/c1-14-12-21(37-27(34)15(2)17(4)30)25-26(36-19(6)32)24-16(3)20(33)10-11-29(24,9)13-22(35-18(5)31)23(14)28(25,7)8/h15,17,20-22,24-26,30,33H,3,10-13H2,1-2,4-9H3/t15-,17+,20+,21+,22+,24+,25+,26+,29+/m1/s1",C=C1[C@@H](O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C29H44O8,pos_1_1sodium1acetonitrile,520.303618368,NYZTVYMLRZLUBV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 12718,4212,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,NYZTVYMLRZLUBV-UOIGVGIGSA-N,"InChI=1S/C29H44O8/c1-14-12-21(37-27(34)15(2)17(4)30)25-26(36-19(6)32)24-16(3)20(33)10-11-29(24,9)13-22(35-18(5)31)23(14)28(25,7)8/h15,17,20-22,24-26,30,33H,3,10-13H2,1-2,4-9H3/t15-,17+,20+,21+,22+,24+,25+,26+,29+/m1/s1",C=C1[C@@H](O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C29H44O8,pos_1_1sodium1acetonitrile,520.303618368,NYZTVYMLRZLUBV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus sumatrana,793995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus sumatrana'],6,3,7.5 12719,4211,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6325924,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,8.030369520187378 12720,4211,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6325924,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,8.030369520187378 12721,4209,-1,,,,0.76127714,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.045108556747437 12722,4208,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12723,4208,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12724,4208,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12725,4208,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12726,4208,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12727,4208,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1potassium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12728,4208,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12729,4208,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1potassium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12730,4206,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NISGMKNSSUMSSN-DHXMEVIDSA-N,"InChI=1S/C30H46N2O/c1-20(31-4)25-13-14-26-24-12-11-22-19-23(32(5)28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27,31H,11-19H2,1-5H3/t20-,22+,23+,24+,25-,26+,27+,29+,30-/m1/s1",CN[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C30H46N2O,pos_1_1proton1isopropanol,450.361014092,NISGMKNSSUMSSN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,3,7.5 12731,4203,162,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.46931267,ISDB,JKUXEKUGDNFENI-WQXAFCNFSA-N,"InChI=1S/C19H35N5O4/c1-8-13(22-19(20)21)16(25)23-15(11(4)5)17(26)24(7)14(10(2)3)9-12(6)18(27)28/h9-11,13-15H,8H2,1-7H3,(H,23,25)(H,27,28)(H4,20,21,22)/b12-9+/t13-,14+,15-/m0/s1",CC[C@H](NC(=N)N)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)C,C19H35N5O4,,397.2689046,JKUXEKUGDNFENI,Amino acids and Peptides,Small peptides,Tripeptides,Moorea producens,659831.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Moorea producens'],0,0,1.8772506713867188 12732,4202,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,2,9.0 12733,4202,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,2,9.0 12734,4201,615,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8014107,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.705642700195312 12735,4199,-1,,,,0.24384032,ISDB,WEVPJDIZBLFOEP-NYQDVAGCSA-N,"InChI=1S/C24H33NO2/c1-16(2)19-11-10-17(3)24(4,21(19)12-13-23(26)27-5)14-18-15-25-22-9-7-6-8-20(18)22/h6-9,15,17,21,25H,10-14H2,1-5H3/t17-,21-,24-/m1/s1",COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@@]1(C)Cc1c[nH]c2ccccc12,C24H33NO2,,367.25112929599993,WEVPJDIZBLFOEP,,,,Greenwayodendron suaveolens,956932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Greenwayodendron'],['Greenwayodendron suaveolens'],4,0,4.9753612875938416 12736,4199,-1,,,,0.24384032,ISDB,WEVPJDIZBLFOEP-NYQDVAGCSA-N,"InChI=1S/C24H33NO2/c1-16(2)19-11-10-17(3)24(4,21(19)12-13-23(26)27-5)14-18-15-25-22-9-7-6-8-20(18)22/h6-9,15,17,21,25H,10-14H2,1-5H3/t17-,21-,24-/m1/s1",COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@@]1(C)Cc1c[nH]c2ccccc12,C24H33NO2,,367.25112929599993,WEVPJDIZBLFOEP,,,,Polyalthia suaveolens,956932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Greenwayodendron'],['Greenwayodendron suaveolens'],4,0,4.9753612875938416 12737,4198,502,Shikimates and Phenylpropanoids,Isoflavonoids,Azaphilones,0.54710805,ISDB,GLPDBGACWOZVNL-ZETCQYMHSA-N,"InChI=1S/C9H8O4/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-3,7,10-11H,4H2/t7-/m0/s1",O=C1c2ccc(O)cc2OC[C@@H]1O,C9H8O4,,180.042258736,GLPDBGACWOZVNL,Shikimates and Phenylpropanoids,Isoflavonoids,,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],4,2,7.188432216644287 12738,4195,1541,Fatty acids,Steroids,Steroidal alkaloids,0.36208317,ISDB,YFPVRCYDDXYINM-VWLOTQADSA-N,"InChI=1S/C27H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(30)29-25(27(31)32)20-22-21-28-24-18-16-15-17-23(22)24/h15-18,21,25,28H,2-14,19-20H2,1H3,(H,29,30)(H,31,32)/t25-/m0/s1",CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C27H42N2O3,,442.319543204,YFPVRCYDDXYINM,Fatty acids,Fatty amides,N-acyl amines,Escherichia coli,474506.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Enterobacteriaceae'],['Unknown'],['Unknown'],['Escherichia coli'],0,1,1.948332667350769 12739,4194,-1,,,,0.0,MS1_match,NISPVUDLMHQFRQ-MKIKIEMVSA-N,"InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H42O7,pos_1_minus1proton1magnesium,514.2930536839999,NISPVUDLMHQFRQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Helicteres angustifolia,283046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Helicteres'],['Helicteres angustifolia'],6,0,6.0 12740,4194,-1,,,,0.0,MS1_match,NISPVUDLMHQFRQ-MKIKIEMVSA-N,"InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H42O7,pos_1_minus1proton1magnesium,514.2930536839999,NISPVUDLMHQFRQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Helicteres angustifolia,283046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Helicteres'],['Helicteres angustifolia'],6,0,6.0 12741,4192,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5418693,ISDB,FYHHLMRXXMJAPQ-FEEPWOQDSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-20(35)11-18-21(38-28)12-23-25(27(18)36)26-24-19(34)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,20,26,28-29,31-37H,11H2/t20-,26-,28-,29-,30+/m1/s1",Oc1ccc([C@H]2Oc3cc4c(c(O)c3C[C@H]2O)[C@H]2c3c(O)cc(O)cc3O[C@@](c3ccc(O)cc3)(O4)[C@@H]2O)cc1,C30H24O10,,544.136946968,FYHHLMRXXMJAPQ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ephedra,673430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Ephedrales'],['Ephedraceae'],['Unknown'],['Ephedra'],['Unknown'],3,3,6.667477130889893 12742,4191,778,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1methanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12743,4191,778,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1methanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12744,4189,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5134632,ISDB,ZPTPAHYXDZSFJO-YYOBNSGMSA-N,"InChI=1S/C34H52N2O2/c1-22(35(6)7)24-16-17-32(5)27-15-14-26-30(2,3)28(36(8)29(38)23-12-10-9-11-13-23)25(37)20-34(26)21-33(27,34)19-18-31(24,32)4/h9-13,22,24-28,37H,14-21H2,1-8H3/t22-,24+,25+,26-,27-,28-,31+,32-,33-,34+/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)N(C)C,C34H52N2O2,,520.402878904,ZPTPAHYXDZSFJO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.553852796554565 12745,4187,759,Alkaloids,Ornithine alkaloids,Polyamines,0.3103634,ISDB,QHBPDPDZYJEPGR-AVQSSONKSA-N,"InChI=1S/C35H39N3O9/c1-47-32-23-26(7-13-29(32)41)9-15-34(45)37-18-4-20-38(35(46)16-10-25-6-12-28(40)31(43)22-25)19-3-2-17-36-33(44)14-8-24-5-11-27(39)30(42)21-24/h5-16,21-23,39-43H,2-4,17-20H2,1H3,(H,36,44)(H,37,45)/b14-8+,15-9+,16-10+",COc1cc(/C=C/C(=O)NCCCN(CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,C35H39N3O9,,645.268629828,QHBPDPDZYJEPGR,Alkaloids,Ornithine alkaloids,Polyamines,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],4,3,6.741453647613525 12746,4186,-1,,,,0.0,MS1_match,PHHIEOZUONPPQY-ROQFLNLZSA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23+,25-/m0/s1",COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1sodium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12747,4185,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12748,4184,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12749,4183,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 12750,4183,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 12751,4181,-1,,,,0.33175808,ISDB,WPFFFCFKBSDSFI-CTLLREPQSA-N,"InChI=1S/C24H30O6/c1-12(2)15-8-16-18(9-19(15)29-13(3)26)24(7)10-17(21(16)30-14(4)27)22(28)23(5,6)20(24)11-25/h8-9,11-12,17,20-21H,10H2,1-7H3/t17-,20-,21+,24+/m0/s1",CC(=O)Oc1cc2c(cc1C(C)C)[C@@H](OC(C)=O)[C@@H]1C[C@@]2(C)[C@@H](C=O)C(C)(C)C1=O,C24H30O6,,414.20423868,WPFFFCFKBSDSFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],4,0,5.3270323276519775 12752,4181,-1,,,,0.33175808,ISDB,WPFFFCFKBSDSFI-COFNMNJVSA-N,"InChI=1S/C24H30O6/c1-12(2)15-8-16-18(9-19(15)29-13(3)26)24(7)10-17(21(16)30-14(4)27)22(28)23(5,6)20(24)11-25/h8-9,11-12,17,20-21H,10H2,1-7H3/t17-,20-,21-,24+/m0/s1",CC(=O)Oc1cc2c(cc1C(C)C)[C@H](OC(C)=O)[C@@H]1C[C@@]2(C)[C@@H](C=O)C(C)(C)C1=O,C24H30O6,,414.20423868,WPFFFCFKBSDSFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Chamaecyparis obtusa var. formosana,800336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],4,0,5.3270323276519775 12753,4180,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUMIEQQAVQWNBJ-CCCKHRJYSA-N,"InChI=1S/C37H44O15/c1-18-26(48-19(2)38)15-28(49-20(3)39)36(17-46-33(44)24-12-10-9-11-13-24)29(18)30(50-21(4)40)25-14-27(43)35(8)37(45,34(25,7)16-47-35)32(52-23(6)42)31(36)51-22(5)41/h9-13,25-26,28-32,45H,1,14-17H2,2-8H3/t25-,26-,28-,29-,30+,31-,32-,34-,35+,36+,37-/m0/s1",C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(COC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12,C37H44O15,pos_1_1proton1ethylamine,728.268020708,XUMIEQQAVQWNBJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12754,4179,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VWGCDYGRSUJYGJ-GPOPEEISSA-N,"InChI=1S/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1",C=C1[C@H]2C[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H]1O,C31H40O9,pos_1_1proton1acetonitrile,556.2672328599999,VWGCDYGRSUJYGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12755,4179,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ammonium,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12756,4179,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ammonium,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12757,4179,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ammonium,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12758,4179,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ammonium,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12759,4179,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,VWGCDYGRSUJYGJ-GPOPEEISSA-N,"InChI=1S/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1",C=C1[C@H]2C[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H]1O,C31H40O9,pos_1_1proton1acetonitrile,556.2672328599999,VWGCDYGRSUJYGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12760,4176,-1,,,,0.5249121,ISDB,PBWFBFJNCUAIQQ-UHFFFAOYSA-N,"InChI=1S/C25H39NO3/c1-20(27)14-10-7-5-3-4-6-8-13-17-23-18-19-24(21(2)26-23)29-25(28)22-15-11-9-12-16-22/h9,11-12,15-16,21,23-24,26H,3-8,10,13-14,17-19H2,1-2H3",CC(=O)CCCCCCCCCCC1CCC(OC(=O)c2ccccc2)C(C)N1,C25H39NO3,,401.292994108,PBWFBFJNCUAIQQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,0,6.099648475646973 12761,4173,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.402312,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,2.6092480421066284 12762,4173,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.402312,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,2.6092480421066284 12763,4172,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7363755,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.445502042770386 12764,4172,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7363755,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.445502042770386 12765,4171,-1,,,,0.29863384,ISDB,BJLMUUKAICQBIY-UHFFFAOYSA-N,"InChI=1S/C25H37NO2/c1-2-3-12-19-24(27)20-15-9-7-5-4-6-8-10-16-21-25(28)26-22-23-17-13-11-14-18-23/h7,9,11,13-15,17-18,20H,2-6,8,10,12,16,19,21-22H2,1H3,(H,26,28)",CCCCCC(=O)C=CC=CCCCCCCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,BJLMUUKAICQBIY,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.1945353746414185 12766,4168,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12767,4168,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12768,4168,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12769,4168,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12770,4168,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12771,4168,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12772,4168,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12773,4168,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12774,4167,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JUIYKRQGQJORHH-UGFNMZIJSA-N,"InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-13(30)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20-,22+,23-,24+,25+,28-,29-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C29H34O16,pos_1_1proton,638.184685008,JUIYKRQGQJORHH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 12775,4167,366,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JUIYKRQGQJORHH-UGFNMZIJSA-N,"InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-13(30)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20-,22+,23-,24+,25+,28-,29-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C29H34O16,pos_1_1proton,638.184685008,JUIYKRQGQJORHH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 12776,4166,-1,,,,0.767968,ISDB,RKDYSYBFDLUFOO-HNGXFMMISA-N,"InChI=1S/C35H44O20/c1-11-21(38)24(41)27(44)34(50-11)54-30-12(2)51-33(29(46)26(30)43)49-10-19-22(39)25(42)28(45)35(53-19)55-32-23(40)20-16(37)8-14(47-3)9-18(20)52-31(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-22,24-30,33-39,41-46H,10H2,1-4H3/t11-,12-,19+,21-,22+,24-,25-,26+,27+,28+,29+,30-,33+,34-,35-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,,784.242593808,RKDYSYBFDLUFOO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus formosana,6109468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus formosana'],7,0,10.071871995925903 12777,4165,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MYMGKIQXYXSRIJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,C17H14O7,pos_1_1proton,330.073952788,MYMGKIQXYXSRIJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus lycioides,115710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus lycioides'],7,3,8.5 12778,4165,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MYMGKIQXYXSRIJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,C17H14O7,pos_1_1proton,330.073952788,MYMGKIQXYXSRIJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 12779,4165,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MYMGKIQXYXSRIJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,C17H14O7,pos_1_1proton,330.073952788,MYMGKIQXYXSRIJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 12780,4165,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MYMGKIQXYXSRIJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,C17H14O7,pos_1_1proton,330.073952788,MYMGKIQXYXSRIJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 12781,4163,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.32421076,ISDB,ZWHJUGHQRBGBPG-CHXMCPJFSA-N,"InChI=1S/C32H52N2O2/c1-11-20(2)27(35)36-22-18-30(7)24-13-12-23-28(4,5)25(34(9)10)14-15-31(23)19-32(24,31)17-16-29(30,6)26(22)21(3)33-8/h11-13,21-26,33H,14-19H2,1-10H3/b20-11+/t21-,22-,23+,24+,25+,26+,29-,30+,31-,32+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@@H](C)NC,C32H52N2O2,,496.402878904,ZWHJUGHQRBGBPG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,10.7968430519104 12782,4162,-1,,,,0.51402974,ISDB,QBCQXEYQSRWFAF-TZYAJKAJSA-N,"InChI=1S/C24H35NO2/c1-22(2)11-5-12-24(4)19(22)10-13-23(3)18-14-17(7-9-21(26)27)25-15-16(18)6-8-20(23)24/h14-15,19-20H,5-13H2,1-4H3,(H,26,27)/t19-,20-,23-,24-/m0/s1",CC1(C)CCC[C@]2(C)[C@H]3CCc4cnc(CCC(=O)O)cc4[C@]3(C)CC[C@@H]12,C24H35NO2,,369.26677936,QBCQXEYQSRWFAF,Terpenoids,Sesterterpenoids,Cheilanthane sesterterpenoids,Petrosaspongia nigra,533037.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Petrosaspongia'],['Petrosaspongia nigra'],1,0,3.056118965148926 12783,4161,-1,,,,0.0,MS1_match,BVQPBPDDNCHOSN-AMKBCIOXSA-N,"InChI=1S/C35H44O20/c1-11-21(38)25(42)27(44)34(51-11)54-31-22(39)12(2)50-33(29(31)46)49-10-19-23(40)26(43)28(45)35(53-19)55-32-24(41)20-16(37)8-14(47-3)9-18(20)52-30(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-23,25-29,31,33-40,42-46H,10H2,1-4H3/t11-,12+,19+,21-,22-,23+,25-,26-,27-,28-,29-,31-,33+,34-,35-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,pos_2MNa,784.242593808,BVQPBPDDNCHOSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,0,7.0 12784,4161,-1,,,,0.0,MS1_match,BVQPBPDDNCHOSN-UHFFFAOYSA-N,"InChI=1S/C35H44O20/c1-11-21(38)25(42)27(44)34(51-11)54-31-22(39)12(2)50-33(29(31)46)49-10-19-23(40)26(43)28(45)35(53-19)55-32-24(41)20-16(37)8-14(47-3)9-18(20)52-30(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-23,25-29,31,33-40,42-46H,10H2,1-4H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,pos_2MNa,784.242593808,BVQPBPDDNCHOSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus,329914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Unknown'],7,0,7.0 12785,4161,-1,,,,0.0,MS1_match,BVQPBPDDNCHOSN-FLAKKNJLSA-N,"InChI=1S/C35H44O20/c1-11-21(38)25(42)27(44)34(51-11)54-31-22(39)12(2)50-33(29(31)46)49-10-19-23(40)26(43)28(45)35(53-19)55-32-24(41)20-16(37)8-14(47-3)9-18(20)52-30(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-23,25-29,31,33-40,42-46H,10H2,1-4H3/t11-,12-,19+,21-,22-,23-,25+,26-,27+,28+,29+,31+,33+,34-,35-/m1/s1",COc1cc(O)c2c(=O)c(O[C@H]3O[C@@H](CO[C@H]4O[C@H](C)[C@@H](O)[C@H](O[C@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,pos_2MNa,784.242593808,BVQPBPDDNCHOSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,0,7.0 12786,4161,-1,,,,0.0,MS1_match,RKDYSYBFDLUFOO-HNGXFMMISA-N,"InChI=1S/C35H44O20/c1-11-21(38)24(41)27(44)34(50-11)54-30-12(2)51-33(29(46)26(30)43)49-10-19-22(39)25(42)28(45)35(53-19)55-32-23(40)20-16(37)8-14(47-3)9-18(20)52-31(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-22,24-30,33-39,41-46H,10H2,1-4H3/t11-,12-,19+,21-,22+,24-,25-,26+,27+,28+,29+,30-,33+,34-,35-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,pos_2MNa,784.242593808,RKDYSYBFDLUFOO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus formosana,6109468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus formosana'],7,0,7.0 12787,4160,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BVQPBPDDNCHOSN-AMKBCIOXSA-N,"InChI=1S/C35H44O20/c1-11-21(38)25(42)27(44)34(51-11)54-31-22(39)12(2)50-33(29(31)46)49-10-19-23(40)26(43)28(45)35(53-19)55-32-24(41)20-16(37)8-14(47-3)9-18(20)52-30(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-23,25-29,31,33-40,42-46H,10H2,1-4H3/t11-,12+,19+,21-,22-,23+,25-,26-,27-,28-,29-,31-,33+,34-,35-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,pos_1_1sodium,784.242593808,BVQPBPDDNCHOSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 12788,4160,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BVQPBPDDNCHOSN-UHFFFAOYSA-N,"InChI=1S/C35H44O20/c1-11-21(38)25(42)27(44)34(51-11)54-31-22(39)12(2)50-33(29(31)46)49-10-19-23(40)26(43)28(45)35(53-19)55-32-24(41)20-16(37)8-14(47-3)9-18(20)52-30(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-23,25-29,31,33-40,42-46H,10H2,1-4H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,pos_1_1sodium,784.242593808,BVQPBPDDNCHOSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus,329914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Unknown'],7,3,8.5 12789,4160,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BVQPBPDDNCHOSN-FLAKKNJLSA-N,"InChI=1S/C35H44O20/c1-11-21(38)25(42)27(44)34(51-11)54-31-22(39)12(2)50-33(29(31)46)49-10-19-23(40)26(43)28(45)35(53-19)55-32-24(41)20-16(37)8-14(47-3)9-18(20)52-30(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-23,25-29,31,33-40,42-46H,10H2,1-4H3/t11-,12-,19+,21-,22-,23-,25+,26-,27+,28+,29+,31+,33+,34-,35-/m1/s1",COc1cc(O)c2c(=O)c(O[C@H]3O[C@@H](CO[C@H]4O[C@H](C)[C@@H](O)[C@H](O[C@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,pos_1_1sodium,784.242593808,BVQPBPDDNCHOSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,8.5 12790,4160,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKDYSYBFDLUFOO-HNGXFMMISA-N,"InChI=1S/C35H44O20/c1-11-21(38)24(41)27(44)34(50-11)54-30-12(2)51-33(29(46)26(30)43)49-10-19-22(39)25(42)28(45)35(53-19)55-32-23(40)20-16(37)8-14(47-3)9-18(20)52-31(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-22,24-30,33-39,41-46H,10H2,1-4H3/t11-,12-,19+,21-,22+,24-,25-,26+,27+,28+,29+,30-,33+,34-,35-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C35H44O20,pos_1_1sodium,784.242593808,RKDYSYBFDLUFOO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus formosana,6109468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus formosana'],7,3,8.5 12791,4158,-1,,,,0.6668825,ISDB,,,,,,,YIGHZHOPCWHUCU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.667530059814453 12792,4155,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.47145167,ISDB,QGCSPPKMXOJFEM-RXYILKCJSA-N,"InChI=1S/C29H33NO7/c1-34-25-13-18(5-7-23(25)32)28-21(15-31)20-10-16(11-27(36-3)29(20)37-28)4-6-22-19-14-26(35-2)24(33)12-17(19)8-9-30-22/h5,7,10-14,21-22,28,30-33H,4,6,8-9,15H2,1-3H3/t21-,22-,28+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CC[C@@H]4NCCc5cc(O)c(OC)cc54)cc3[C@@H]2CO)ccc1O,C29H33NO7,,507.2257023959999,QGCSPPKMXOJFEM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lobelia chinensis,104504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia chinensis'],3,0,4.885806679725647 12793,4154,-1,,,,0.65033376,ISDB,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.601335048675537 12794,4153,-1,,,,0.66324884,ISDB,VTMACKLIDOUCGC-MKICQXMISA-N,"InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)26(14-4-3-13-25)24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14,25H2,1-2H3/b11-7+,12-8+",COc1cc(/C=C/C(=O)N(CCCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C24H28N2O6,,440.194736616,VTMACKLIDOUCGC,Alkaloids,Ornithine alkaloids,Polyamines,Dracunculus vulgaris,1025064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Areae'],['Dracunculus'],['Dracunculus vulgaris'],4,0,6.652995347976685 12795,4153,-1,,,,0.66324884,ISDB,VTMACKLIDOUCGC-MKICQXMISA-N,"InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)26(14-4-3-13-25)24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14,25H2,1-2H3/b11-7+,12-8+",COc1cc(/C=C/C(=O)N(CCCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C24H28N2O6,,440.194736616,VTMACKLIDOUCGC,Alkaloids,Ornithine alkaloids,Polyamines,Arum italicum,17921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Areae'],['Arum'],['Arum italicum'],4,0,6.652995347976685 12796,4153,-1,,,,0.66324884,ISDB,VTMACKLIDOUCGC-MKICQXMISA-N,"InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)26(14-4-3-13-25)24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14,25H2,1-2H3/b11-7+,12-8+",COc1cc(/C=C/C(=O)N(CCCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C24H28N2O6,,440.194736616,VTMACKLIDOUCGC,Alkaloids,Ornithine alkaloids,Polyamines,Remusatia vivipara,1023103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Remusatia'],['Remusatia vivipara'],4,0,6.652995347976685 12797,4151,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6281174,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,8.01246953010559 12798,4151,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6281174,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,8.01246953010559 12799,4148,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,QMHSIKOTSLNLTD-VCSCPGBLSA-N,"InChI=1S/C34H44O9/c1-19-26(38)16-25-30(41-21(3)35)29-20(2)27(40-18-39-17-24-12-10-9-11-13-24)14-15-34(29,8)32(43-23(5)37)31(42-22(4)36)28(19)33(25,6)7/h9-13,25,27,29-32H,2,14-18H2,1,3-8H3/t25-,27-,29-,30+,31+,32-,34+/m0/s1",C=C1[C@@H](OCOCc2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C34H44O9,pos_1_1proton1ammonium,596.298532988,QMHSIKOTSLNLTD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12800,4147,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 12801,4147,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 12802,4146,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.50036025,ISDB,KOTXAHKUCAQPQA-AAUVPWARSA-N,"InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23?,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1",CC(=O)O[C@H]1CC2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C35H47NO10,,641.319996704,KOTXAHKUCAQPQA,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,10.50144100189209 12803,4145,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,CZLWREWIXSHVJD-AYFFSUKUSA-N,"InChI=1S/C33H40O8/c1-18-24(36)17-23-29(39-20(3)34)28-19(2)25(41-26(37)14-13-22-11-9-8-10-12-22)15-16-33(28,7)31(38)30(40-21(4)35)27(18)32(23,5)6/h8-14,23,25,28-31,38H,2,15-17H2,1,3-7H3/b14-13+/t23-,25-,28-,29+,30+,31-,33+/m0/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H40O8,pos_1_1proton1ammonium,564.2723182399999,CZLWREWIXSHVJD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12804,4144,-1,,,,0.0,MS1_match,OFMCNWVMMIJDPE-UHFFFAOYSA-N,"InChI=1S/C29H36O6/c1-16-20(30)15-19-25(32)24-17(2)21(35-22(31)12-11-18-9-7-6-8-10-18)13-14-29(24,5)27(34)26(33)23(16)28(19,3)4/h6-12,19,21,24-27,32-34H,2,13-15H2,1,3-5H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C29H36O6,pos_1_1proton1acetonitrile,480.2511888719999,OFMCNWVMMIJDPE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 12805,4143,779,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.58602446,ISDB,SAAUSGDGZGFSKS-GJQVQUKXSA-N,"InChI=1S/C15H22O4/c1-8-7-12-13(10(3)15(18)19-12)14(17)9(2)11(8)5-4-6-16/h9,12-14,16-17H,3-7H2,1-2H3/t9-,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2CC(C)=C(CCCO)[C@@H](C)[C@@H](O)[C@H]12,C15H22O4,,266.151809184,SAAUSGDGZGFSKS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Inula britannica,587344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema britannicum'],3,3,6.844097852706909 12806,4143,779,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.58602446,ISDB,SAAUSGDGZGFSKS-GJQVQUKXSA-N,"InChI=1S/C15H22O4/c1-8-7-12-13(10(3)15(18)19-12)14(17)9(2)11(8)5-4-6-16/h9,12-14,16-17H,3-7H2,1-2H3/t9-,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2CC(C)=C(CCCO)[C@@H](C)[C@@H](O)[C@H]12,C15H22O4,,266.151809184,SAAUSGDGZGFSKS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Inula japonica,552416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Inula japonica'],3,3,6.844097852706909 12807,4143,779,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.58602446,ISDB,SAAUSGDGZGFSKS-GJQVQUKXSA-N,"InChI=1S/C15H22O4/c1-8-7-12-13(10(3)15(18)19-12)14(17)9(2)11(8)5-4-6-16/h9,12-14,16-17H,3-7H2,1-2H3/t9-,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2CC(C)=C(CCCO)[C@@H](C)[C@@H](O)[C@H]12,C15H22O4,,266.151809184,SAAUSGDGZGFSKS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Pentanema britannicum,587344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema britannicum'],3,3,6.844097852706909 12808,4142,-1,,,,0.6150814,ISDB,ZKGCXEGVGZLKCO-NJZAAPMLSA-N,"InChI=1S/C15H20O3/c1-9-6-12(18-8-9)7-11(3)13-5-4-10(2)14(16)15(13)17/h4,6,8,11,13,15,17H,5,7H2,1-3H3/t11-,13+,15+/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)[C@@H](O)C1=O,C15H20O3,,248.1412445,ZKGCXEGVGZLKCO,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,8.460325717926025 12809,4141,-1,,,,0.81766754,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena,692383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Unknown'],3,0,6.270670175552368 12810,4141,-1,,,,0.81766754,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eutrochium fistulosum,681437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eutrochium'],['Eutrochium fistulosum'],3,0,6.270670175552368 12811,4141,-1,,,,0.81766754,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],3,0,6.270670175552368 12812,4141,-1,,,,0.81766754,ISDB,CTILMUMVHPOCNU-UHFFFAOYSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3",Cc1ccc2c(c1)-c1c(C)coc1CC2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena glaberrima,7603033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena glaberrima'],3,0,6.270670175552368 12813,4141,-1,,,,0.81766754,ISDB,CTILMUMVHPOCNU-SNVBAGLBSA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis ulicina,7600236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis ulicina'],3,0,6.270670175552368 12814,4141,-1,,,,0.81766754,ISDB,CTILMUMVHPOCNU-JTQLQIEISA-N,"InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",Cc1ccc2c(c1)-c1c(C)coc1C[C@@H]2C,C15H16O,,212.120115132,CTILMUMVHPOCNU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],3,0,6.270670175552368 12815,4140,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7432747,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.473098754882812 12816,4140,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7432747,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.473098754882812 12817,4140,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7432747,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.473098754882812 12818,4140,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7432747,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.473098754882812 12819,4140,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7432747,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.473098754882812 12820,4140,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7432747,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.473098754882812 12821,4139,1554,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.45957047,ISDB,BFCPRIFFJUHFAD-UHFFFAOYSA-N,"InChI=1S/C14H24N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",O=C(NC1CCCCC1)C(=O)NC1CCCCC1,C14H24N2O2,,252.183778008,BFCPRIFFJUHFAD,,,,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],4,0,5.838281869888306 12822,4134,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 12823,4134,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 12824,4133,-1,,,,0.7875152,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.150060892105103 12825,4132,-1,,,,0.20031564,ISDB,,,,,,,CKRJPYYQWZCUGP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8012625575065613 12826,4130,-1,,,,0.0,MS1_match,KZXGQBBDMVLTOX-UHFFFAOYSA-N,"InChI=1S/C30H40O4/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(31)32)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22-16-19(3)27(33)34-22/h9-10,16-17,21,23-24H,1,8,11-15H2,2-7H3,(H,31,32)",C=C(C)C1CC=C2C(CCC23C(C)=CCC3(C)C(C)C=C2C=C(C)C(=O)O2)C1(C)CCC(=O)O,C30H40O4,pos_1_1proton1dmso,464.29265976,KZXGQBBDMVLTOX,Terpenoids,,,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 12827,4130,-1,,,,0.0,MS1_match,KZXGQBBDMVLTOX-OPVLIPGASA-N,"InChI=1S/C30H40O4/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(31)32)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22-16-19(3)27(33)34-22/h9-10,16-17,21,23-24H,1,8,11-15H2,2-7H3,(H,31,32)/b22-17-/t21-,23+,24-,28-,29-,30-/m0/s1",C=C(C)[C@H]1CC=C2[C@H](CC[C@]23C(C)=CC[C@@]3(C)[C@@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O,C30H40O4,pos_1_1proton1dmso,464.29265976,KZXGQBBDMVLTOX,Terpenoids,,,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 12828,4130,-1,,,,0.0,MS1_match,DYOXXVQSGJXSDF-ZAXMZARQSA-N,"InChI=1S/C30H40O4/c1-18(2)23-8-9-25-24(28(23,6)13-12-26(31)32)11-15-30(25)20(4)10-14-29(30,7)21(5)17-22-16-19(3)27(33)34-22/h9,16-17,21,23-24H,1,4,8,10-15H2,2-3,5-7H3,(H,31,32)/b22-17-/t21-,23+,24+,28+,29+,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O,C30H40O4,pos_1_1proton1dmso,464.29265976,DYOXXVQSGJXSDF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 12829,4130,-1,,,,0.0,MS1_match,SEDSTERUSLKVFG-VMUGRQMYSA-N,"InChI=1S/C30H40O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,16-17,20,23-24H,1,10-15H2,2-7H3,(H,31,32)/b21-17-/t20-,23+,24-,28+,29+,30-/m1/s1",C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)/C=C4/C=C(C)C(=O)O4)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O,C30H40O4,pos_1_1proton1dmso,464.29265976,SEDSTERUSLKVFG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 12830,4130,-1,,,,0.0,MS1_match,SEDSTERUSLKVFG-LFPJXKQESA-N,"InChI=1S/C30H40O4/c1-18(2)23-9-8-22-24(28(23,5)13-12-26(31)32)10-15-30(7)25(22)11-14-29(30,6)20(4)17-21-16-19(3)27(33)34-21/h8-9,16-17,20,23-24H,1,10-15H2,2-7H3,(H,31,32)/b21-17-/t20-,23+,24+,28+,29+,30-/m1/s1",C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)/C=C4/C=C(C)C(=O)O4)[C@]3(C)CC[C@@H]2[C@@]1(C)CCC(=O)O,C30H40O4,pos_1_1proton1dmso,464.29265976,SEDSTERUSLKVFG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 12831,4129,963,Polyketides,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1ethylamine,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 12832,4128,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.46851873,ISDB,RSVYNBKMYRAROU-RHFQGWMVSA-N,"InChI=1S/C34H50N2O2/c1-23(36(6)7)27-18-20-34(4)29-15-14-28-25(21-26(29)17-19-33(27,34)3)13-16-30(35-5)32(28,2)22-38-31(37)24-11-9-8-10-12-24/h8-12,17,21,23,27-30,35H,13-16,18-20,22H2,1-7H3/t23-,27+,28+,29+,30-,32-,33+,34-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)COC(=O)c1ccccc1,C34H50N2O2,,518.38722884,RSVYNBKMYRAROU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,10.374074935913086 12833,4127,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.70676506,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.327060222625732 12834,4125,180,Shikimates and Phenylpropanoids,,,0.0,MS1_match,DPTPQXXDBLPEOP-UHFFFAOYSA-N,"InChI=1S/C9H12O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6,10-12H,1-2,5H2",OCCCc1ccc(O)c(O)c1,C9H12O3,pos_1_1proton1acetonitrile,168.078644244,DPTPQXXDBLPEOP,,,,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 12835,4124,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 12836,4124,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.0 12837,4122,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OCHDFFCQHATESH-OMVMMUDDSA-N,"InChI=1S/C33H42O9/c1-17-24(37)16-23-28(39-19(3)34)27-18(2)25(42-31(38)22-12-10-9-11-13-22)14-15-33(27,8)30(41-21(5)36)29(40-20(4)35)26(17)32(23,6)7/h9-13,23-25,27-30,37H,2,14-16H2,1,3-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H42O9,pos_1_1proton1ethylamine,582.282882924,OCHDFFCQHATESH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12838,4122,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,RVJHLRGBPGMFRC-OMVMMUDDSA-N,"InChI=1S/C33H42O9/c1-17-24(37)14-15-33(8)27(17)28(39-19(3)34)23-16-25(42-31(38)22-12-10-9-11-13-22)18(2)26(32(23,6)7)29(40-20(4)35)30(33)41-21(5)36/h9-13,23-25,27-30,37H,1,14-16H2,2-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)c4ccccc4)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C33H42O9,pos_1_1proton1ethylamine,582.282882924,RVJHLRGBPGMFRC,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12839,4122,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,UPWPZXQNFGMDHD-VABNOWBQSA-N,"InChI=1S/C33H42O9/c1-18-24(40-19(2)34)15-23-26(41-20(3)35)14-22-17-33(6,31(39)30(38)29(18)32(23,4)5)27(36)16-25(22)42-28(37)13-12-21-10-8-7-9-11-21/h7-13,22-27,30,36,38H,14-17H2,1-6H3/b13-12+/t22-,23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)C[C@H]3C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)/C=C/c1ccccc1,C33H42O9,pos_1_1proton1ethylamine,582.282882924,UPWPZXQNFGMDHD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12840,4122,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZNDNIKJPCFPZJG-OMQSHQQQSA-N,"InChI=1S/C33H42O9/c1-18-24(41-25(36)14-13-22-11-9-8-10-12-22)15-16-31(7)26(18)27(39-20(3)34)23-17-32(37)19(2)33(38,30(23,5)6)29(28(31)42-32)40-21(4)35/h8-14,19,23-24,26-29,37-38H,1,15-17H2,2-7H3/b14-13+/t19-,23+,24+,26+,27-,28+,29+,31-,32+,33+/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@H]3O[C@@]4(O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C(C)(C)[C@@](O)([C@H]3OC(C)=O)[C@@H]4C,C33H42O9,pos_1_1proton1ethylamine,582.282882924,ZNDNIKJPCFPZJG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12841,4121,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.4812295,ISDB,ONNIMFBTDSHYJD-SZNYQVOFSA-N,"InChI=1S/C33H45NO9/c1-17-23(42-18(2)35)14-21-22(36)13-20-16-33(5,30(40)28(38)26(17)32(21,3)4)25(37)15-24(20)43-31(41)29(39)27(34(6)7)19-11-9-8-10-12-19/h8-13,21-25,27-29,36-39H,14-16H2,1-7H3/b20-13+/t21-,22-,23-,24-,25-,27-,28+,29+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C33H45NO9,,599.3094320199999,ONNIMFBTDSHYJD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,10.424918055534363 12842,4116,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,PHPMYGWKQZJPMD-WMZMENGWSA-N,"InChI=1S/C25H40O6/c1-16(13-15-30-18(3)26)8-10-20-17(2)9-11-21-24(20,5)14-12-22(31-19(4)27)25(21,6)23(28)29-7/h16,20-22H,2,8-15H2,1,3-7H3/t16-,20-,21+,22+,24+,25+/m0/s1",C=C1CC[C@@H]2[C@](C)(CC[C@@H](OC(C)=O)[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CCOC(C)=O,C25H40O6,pos_2MFe,436.2824889999999,PHPMYGWKQZJPMD,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Juniperus thurifera,340326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus thurifera'],6,0,6.0 12843,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KXOPSQZLBRPJGX-KEBUVGJQSA-N,"InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17+,19+,21-,22-,23+,24+,25-,28-,29-/m0/s1",CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H]2C)[C@H](O)[C@@H](O)[C@@H]1O,C29H32O16,pos_1_1sodium,636.1690349439999,KXOPSQZLBRPJGX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,3,7.5 12844,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KXOPSQZLBRPJGX-UHFFFAOYSA-N,"InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3",CC(=O)OCC1OC(OC2C(C)OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O,C29H32O16,pos_1_1sodium,636.169034944,KXOPSQZLBRPJGX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa,259066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Unknown'],6,3,7.5 12845,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KXOPSQZLBRPJGX-ILCUHJIVSA-N,"InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17-,19-,21+,22-,23-,24-,25-,28+,29+/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1O,C29H32O16,pos_1_1sodium,636.169034944,KXOPSQZLBRPJGX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 12846,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KXOPSQZLBRPJGX-ILCUHJIVSA-N,"InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17-,19-,21+,22-,23-,24-,25-,28+,29+/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1O,C29H32O16,pos_1_1sodium,636.169034944,KXOPSQZLBRPJGX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 12847,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KXOPSQZLBRPJGX-KEBUVGJQSA-N,"InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17+,19+,21-,22-,23+,24+,25-,28-,29-/m0/s1",CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H]2C)[C@H](O)[C@@H](O)[C@@H]1O,C29H32O16,pos_1_1sodium,636.1690349439999,KXOPSQZLBRPJGX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,3,7.5 12848,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KXOPSQZLBRPJGX-UHFFFAOYSA-N,"InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3",CC(=O)OCC1OC(OC2C(C)OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O,C29H32O16,pos_1_1sodium,636.169034944,KXOPSQZLBRPJGX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa,259066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Unknown'],6,3,7.5 12849,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KXOPSQZLBRPJGX-ILCUHJIVSA-N,"InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17-,19-,21+,22-,23-,24-,25-,28+,29+/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1O,C29H32O16,pos_1_1sodium,636.169034944,KXOPSQZLBRPJGX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,7.5 12850,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KXOPSQZLBRPJGX-ILCUHJIVSA-N,"InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17-,19-,21+,22-,23-,24-,25-,28+,29+/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1O,C29H32O16,pos_1_1sodium,636.169034944,KXOPSQZLBRPJGX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,7.5 12851,4113,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LLMVHKRJAVIEOD-APRNLGALSA-N,"InChI=1S/C29H32O16/c1-10(30)24-20(36)22(38)29(43-24)44-26-17(9-40-11(2)31)42-28(23(39)21(26)37)45-27-19(35)18-15(34)7-14(33)8-16(18)41-25(27)12-3-5-13(32)6-4-12/h3-8,10,17,20-24,26,28-30,32-34,36-39H,9H2,1-2H3/t10-,17+,20-,21+,22+,23+,24-,26+,28-,29-/m0/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](C)O)[C@@H](O)[C@H]1O,C29H32O16,pos_1_1sodium,636.169034944,LLMVHKRJAVIEOD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,3,7.5 12852,4112,1906,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2142661,ISDB,YGBLPMULYMDIGU-UHFFFAOYSA-N,"InChI=1S/C24H37NO3/c1-24(2,27)18-14-10-8-6-4-5-7-9-11-17-21-23(28-3)22(26)19-15-12-13-16-20(19)25-21/h12-13,15-16,27H,4-11,14,17-18H2,1-3H3,(H,25,26)",COc1c(CCCCCCCCCCCC(C)(C)O)[nH]c2ccccc2c1=O,C24H37NO3,,387.277344044,YGBLPMULYMDIGU,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Dictyoloma vandellianum,909219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Dictyoloma'],['Dictyoloma vandellianum'],4,1,5.357064425945282 12853,4111,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus durangensis,319654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus durangensis'],6,0,6.0 12854,4111,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus jaliscana,319652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus jaliscana'],6,0,6.0 12855,4111,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus comitana,517875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus comitana'],6,0,6.0 12856,4111,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_1_1proton,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus gamboana,517883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus deppeana'],6,0,6.0 12857,4110,-1,,,,0.24064323,ISDB,KENOUOLPKKQXMX-UHFFFAOYSA-N,"InChI=1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9,11-13H,2-3H2,1H3",COC1=C(O)C(O)C(O)(CO)CC1=O,C8H12O6,,204.063388104,KENOUOLPKKQXMX,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Gadus morhua,114170.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Acanthomorphata'],['Gadidae'],['Unknown'],['Gadus'],['Gadus morhua'],1,0,1.9625729322433472 12858,4110,-1,,,,0.24064323,ISDB,KENOUOLPKKQXMX-UHFFFAOYSA-N,"InChI=1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9,11-13H,2-3H2,1H3",COC1=C(O)C(O)C(O)(CO)CC1=O,C8H12O6,,204.063388104,KENOUOLPKKQXMX,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Artemia salina,558087.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Branchiopoda'],['Anostraca'],['Artemiidae'],['Unknown'],['Artemia'],['Artemia salina'],1,0,1.9625729322433472 12859,4109,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 12860,4109,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 12861,4109,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 12862,4109,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 12863,4109,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 12864,4109,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 12865,4109,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 12866,4109,1346,Polyketides,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,3,9.5 12867,4107,2083,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1methanol,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12868,4104,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 12869,4104,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 12870,4103,-1,,,,0.0,MS1_match,CNMSXDAWZMIQKH-AYWFVAISSA-N,"InChI=1S/C23H24O12/c1-8-16(27)18(29)19(30)23(33-8)35-22-17(28)15-11(24)6-10(31-2)7-14(15)34-20(22)9-4-12(25)21(32-3)13(26)5-9/h4-8,16,18-19,23-27,29-30H,1-3H3/t8-,16-,18+,19+,23-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3cc(O)c(OC)c(O)c3)oc2c1,C23H24O12,pos_1_1proton,492.126776208,CNMSXDAWZMIQKH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,0,7.0 12871,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-YDUAIELLSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21-,22-,23+,24-,25-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C25H32O9,pos_1_1sodium,476.204632604,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 12872,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-UHFFFAOYSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C25H32O9,pos_1_1sodium,476.2046326039998,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 12873,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1sodium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 12874,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-YDUAIELLSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21-,22-,23+,24-,25-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C25H32O9,pos_1_1sodium,476.204632604,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 12875,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1sodium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12876,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1sodium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12877,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-YDUAIELLSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21-,22-,23+,24-,25-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C25H32O9,pos_1_1sodium,476.204632604,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 12878,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-UHFFFAOYSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C25H32O9,pos_1_1sodium,476.2046326039998,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 12879,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1sodium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 12880,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1sodium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 12881,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-UHFFFAOYSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O,C25H32O9,pos_1_1sodium,476.2046326039998,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 12882,4102,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1sodium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 12883,4101,632,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 12884,4101,632,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 12885,4101,632,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,7.5 12886,4101,632,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,DOUMFZQKYFQNTF-WUTVXBCWSA-N,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O,C18H16O8,pos_1_1proton1methanol,360.0845174719999,DOUMFZQKYFQNTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,7.5 12887,4099,-1,,,,0.88492924,ISDB,BZLUBAWCHRXHLR-ZENKMJSXSA-N,"InChI=1S/C15H18O2/c1-8-7-11-15(4)9(2)10-5-6-16-12(10)13(17-11)14(8,15)3/h5-6,8,11,13H,2,7H2,1,3-4H3/t8-,11-,13-,14-,15-/m1/s1",C=C1c2ccoc2[C@H]2O[C@@H]3C[C@@H](C)[C@@]2(C)[C@]13C,C15H18O2,,230.130679816,BZLUBAWCHRXHLR,Terpenoids,Sesquiterpenoids,Pinguisane sesquiterpenoids,Trocholejeunea sandvicensis,502852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Lejeuneaceae'],['Unknown'],['Trocholejeunea'],['Trocholejeunea sandvicensis'],3,0,6.539716958999634 12888,4098,-1,,,,0.2241435,ISDB,DNCDHQFJGMDKJD-XIXWPXHBSA-N,"InChI=1S/C34H35N3O8/c1-18(38)20-13-14-27(39)29(31(20)40)23(17-28(44-2)34(43)45-3)30-22(21-11-7-8-12-24(21)35-30)16-26-33(42)36-25(32(41)37-26)15-19-9-5-4-6-10-19/h4-14,23,25-26,28,35,39-40H,15-17H2,1-3H3,(H,36,42)(H,37,41)/t23-,25+,26-,28?/m0/s1",COC(=O)C(C[C@H](c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O)c1c(O)ccc(C(C)=O)c1O)OC,C34H35N3O8,,613.24241508,DNCDHQFJGMDKJD,Alkaloids,,,Aspergillus awamori,659578.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus awamori'],1,0,1.8965740203857422 12889,4098,-1,,,,0.2241435,ISDB,DNCDHQFJGMDKJD-XIXWPXHBSA-N,"InChI=1S/C34H35N3O8/c1-18(38)20-13-14-27(39)29(31(20)40)23(17-28(44-2)34(43)45-3)30-22(21-11-7-8-12-24(21)35-30)16-26-33(42)36-25(32(41)37-26)15-19-9-5-4-6-10-19/h4-14,23,25-26,28,35,39-40H,15-17H2,1-3H3,(H,36,42)(H,37,41)/t23-,25+,26-,28?/m0/s1",COC(=O)C(C[C@H](c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O)c1c(O)ccc(C(C)=O)c1O)OC,C34H35N3O8,,613.24241508,DNCDHQFJGMDKJD,Alkaloids,,,Aspergillus luchuensis,7514964.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus luchuensis'],1,0,1.8965740203857422 12890,4096,759,Alkaloids,Ornithine alkaloids,Polyamines,0.28460357,ISDB,XYBWBOHZMFLRBQ-UHFFFAOYSA-N,"InChI=1S/C34H37N3O8/c38-27-11-4-24(5-12-27)8-15-32(43)36-19-3-21-37(34(45)17-10-26-7-14-29(40)31(42)23-26)20-2-1-18-35-33(44)16-9-25-6-13-28(39)30(41)22-25/h4-17,22-23,38-42H,1-3,18-21H2,(H,35,44)(H,36,43)",O=C(C=Cc1ccc(O)c(O)c1)NCCCCN(CCCNC(=O)C=Cc1ccc(O)cc1)C(=O)C=Cc1ccc(O)c(O)c1,C34H37N3O8,,615.258065144,XYBWBOHZMFLRBQ,Alkaloids,Ornithine alkaloids,Polyamines,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],4,3,6.638414263725281 12891,4095,1906,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZJCQKCYHGHOOCN-YQLZLQRESA-N,"InChI=1S/C27H43NO/c1-9-18-19(29)16-25(6)23(18,4)14-15-27-17-26(27)13-11-21(28(7)8)22(2,3)20(26)10-12-24(25,27)5/h9,20-21H,10-17H2,1-8H3/b18-9-/t20-,21-,23+,24-,25+,26+,27-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@]3(C)CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]53CC[C@]12C,C27H43NO,pos_1_minus1proton1magnesium,397.33446499600007,ZJCQKCYHGHOOCN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,8.5 12892,4090,-1,,,,0.9761932,ISDB,WYLYASIANZEUSE-LWYIWUTRSA-N,"InChI=1S/C15H20O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,8-12,16H,4-5H2,1-3H3/t8?,9?,10-,11?,12-,14+,15-/m0/s1",CC1=C[C@H](O)[C@@]23O[C@]2(C)CCC2C(C)C(=O)O[C@@H]2C13,C15H20O4,,264.13615912,WYLYASIANZEUSE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],3,0,6.904772758483887 12893,4090,-1,,,,0.9761932,ISDB,WYLYASIANZEUSE-RQJMXFNBSA-N,"InChI=1S/C15H20O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,8-12,16H,4-5H2,1-3H3/t8-,9-,10-,11+,12-,14-,15+/m0/s1",CC1=C[C@H](O)[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]13,C15H20O4,,264.13615912,WYLYASIANZEUSE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia gorgonum,821694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gorgonum'],3,0,6.904772758483887 12894,4090,-1,,,,0.9761932,ISDB,WYLYASIANZEUSE-LWYIWUTRSA-N,"InChI=1S/C15H20O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,8-12,16H,4-5H2,1-3H3/t8?,9?,10-,11?,12-,14+,15-/m0/s1",CC1=C[C@H](O)[C@@]23O[C@]2(C)CCC2C(C)C(=O)O[C@@H]2C13,C15H20O4,,264.13615912,WYLYASIANZEUSE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],3,0,6.904772758483887 12895,4090,-1,,,,0.9761932,ISDB,WYLYASIANZEUSE-NKRKBIQJSA-N,"InChI=1S/C15H20O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,8-12,16H,4-5H2,1-3H3/t8-,9-,10-,11+,12-,14+,15-/m0/s1",CC1=C[C@H](O)[C@@]23O[C@]2(C)CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]13,C15H20O4,,264.13615912,WYLYASIANZEUSE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia adamsii,367874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia adamsii'],3,0,6.904772758483887 12896,4089,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.46137747,ISDB,QKIQAUSGMKJYFS-CWFCOSEVSA-N,"InChI=1S/C15H18O4/c1-7-4-12(16)15-10(7)5-9-8(2)13(17)18-11(9)6-14(15,3)19-15/h4,10-12,16H,5-6H2,1-3H3/t10-,11-,12+,14+,15+/m0/s1",CC1=C[C@@H](O)[C@@]23O[C@]2(C)C[C@@H]2OC(=O)C(C)=C2C[C@@H]13,C15H18O4,,262.120509056,QKIQAUSGMKJYFS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Piper cubeba,311088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper cubeba'],3,3,6.345509886741638 12897,4088,1303,Shikimates and Phenylpropanoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,0.64872533,ISDB,TVHWZFSMYZPWDT-OCCSQVGLSA-N,"InChI=1S/C14H16O2/c1-9(2)12-7-13-10(6-14(12)16)4-3-5-11(13)8-15/h3-5,8,12,14,16H,1,6-7H2,2H3/t12-,14+/m1/s1",C=C(C)[C@H]1Cc2c(C=O)cccc2C[C@@H]1O,C14H16O2,,216.115029752,TVHWZFSMYZPWDT,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia przewalskii,619955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia przewalskii'],3,3,7.0949013233184814 12898,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,DPBMWJXWUINLQT-UHFFFAOYSA-N,"InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3",COc1cc2ccnc3c2c(c1OC)-c1ccccc1C3=O,C18H13NO3,pos_1_1proton1methanol,291.08954327600003,DPBMWJXWUINLQT,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,7.5 12899,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GKEOKAJRKHTDOS-ZDUSSCGKSA-N,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3/t13-/m0/s1",CN1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3,C19H17NO4,pos_1_1proton,323.11575802399994,GKEOKAJRKHTDOS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea pulchella,318784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea pulchella'],6,3,7.5 12900,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GKEOKAJRKHTDOS-ZDUSSCGKSA-N,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3/t13-/m0/s1",CN1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3,C19H17NO4,pos_1_1proton,323.11575802399994,GKEOKAJRKHTDOS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea acutifolia,5699455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutifolia'],6,3,7.5 12901,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GKEOKAJRKHTDOS-ZDUSSCGKSA-N,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3/t13-/m0/s1",CN1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3,C19H17NO4,pos_1_1proton,323.11575802399994,GKEOKAJRKHTDOS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 12902,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GKEOKAJRKHTDOS-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3",CN1CCc2cc3c(c4c2C1Cc1cc2c(cc1-4)OCO2)OCO3,C19H17NO4,pos_1_1proton,323.115758024,GKEOKAJRKHTDOS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha,218936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Unknown'],6,3,7.5 12903,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GKEOKAJRKHTDOS-ZDUSSCGKSA-N,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3/t13-/m0/s1",CN1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3,C19H17NO4,pos_1_1proton,323.11575802399994,GKEOKAJRKHTDOS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea pulchella,318784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea pulchella'],6,3,7.5 12904,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GKEOKAJRKHTDOS-ZDUSSCGKSA-N,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3/t13-/m0/s1",CN1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3,C19H17NO4,pos_1_1proton,323.11575802399994,GKEOKAJRKHTDOS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea acutifolia,5699455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutifolia'],6,3,7.5 12905,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GKEOKAJRKHTDOS-ZDUSSCGKSA-N,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3/t13-/m0/s1",CN1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3,C19H17NO4,pos_1_1proton,323.11575802399994,GKEOKAJRKHTDOS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 12906,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GKEOKAJRKHTDOS-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3",CN1CCc2cc3c(c4c2C1Cc1cc2c(cc1-4)OCO2)OCO3,C19H17NO4,pos_1_1proton,323.115758024,GKEOKAJRKHTDOS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha,218936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Unknown'],6,3,7.5 12907,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,DPBMWJXWUINLQT-UHFFFAOYSA-N,"InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3",COc1cc2ccnc3c2c(c1OC)-c1ccccc1C3=O,C18H13NO3,pos_1_1proton1methanol,291.08954327600003,DPBMWJXWUINLQT,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya strictifolia,6026103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya strictifolia'],6,3,7.5 12908,4086,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,DPBMWJXWUINLQT-UHFFFAOYSA-N,"InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3",COc1cc2ccnc3c2c(c1OC)-c1ccccc1C3=O,C18H13NO3,pos_1_1proton1methanol,291.08954327600003,DPBMWJXWUINLQT,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 12909,4085,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.21783479,ISDB,MEEQMJBHUXXUGY-RRCROMLWSA-N,"InChI=1S/C30H39NO14/c1-3-13-15-7-17-14-8-18(32)20(40-2)6-12(14)4-5-31(17)27(39)16(15)9-41-28(13)45-30-26(38)24(36)23(35)21(44-30)11-43-29-25(37)22(34)19(33)10-42-29/h3,6,8-9,13,15,17,19,21-26,28-30,32-38H,1,4-5,7,10-11H2,2H3/t13-,15+,17-,19-,21-,22+,23-,24+,25-,26-,28+,29-,30+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4[C@H]3C[C@H]21,C30H39NO14,,637.237054928,MEEQMJBHUXXUGY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],4,0,4.87133914232254 12910,4085,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.21783479,ISDB,MEEQMJBHUXXUGY-RRCROMLWSA-N,"InChI=1S/C30H39NO14/c1-3-13-15-7-17-14-8-18(32)20(40-2)6-12(14)4-5-31(17)27(39)16(15)9-41-28(13)45-30-26(38)24(36)23(35)21(44-30)11-43-29-25(37)22(34)19(33)10-42-29/h3,6,8-9,13,15,17,19,21-26,28-30,32-38H,1,4-5,7,10-11H2,2H3/t13-,15+,17-,19-,21-,22+,23-,24+,25-,26-,28+,29-,30+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4[C@H]3C[C@H]21,C30H39NO14,,637.237054928,MEEQMJBHUXXUGY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],4,0,4.87133914232254 12911,4083,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,2,9.0 12912,4083,621,Shikimates and Phenylpropanoids,Flavonoids,Simple phenolic acids,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,2,9.0 12913,4082,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12914,4082,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12915,4082,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12916,4082,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12917,4082,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12918,4082,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12919,4082,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12920,4082,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ethylamine,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12921,4081,-1,,,,0.0,MS1_match,RRBYUSWBLVXTQN-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3",CC1(C)C2CC3C(C2)C31C,C10H16,pos_1_1proton,136.125200512,RRBYUSWBLVXTQN,Terpenoids,Monoterpenoids,,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12922,4081,-1,,,,0.0,MS1_match,YHQGMYUVUMAZJR-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3",CC1=CC=C(C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,YHQGMYUVUMAZJR,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12923,4081,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1",CC1=CC[C@@H]2[C@H](C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12924,4081,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C=C1C2CCC(C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12925,4081,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2C(C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12926,4081,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-RKDXNWHRSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1",CC1=CC[C@@H]2C[C@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12927,4081,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1",C=C1[C@@H]2CC[C@@H](C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12928,4081,-1,,,,0.0,MS1_match,IHPKGUQCSIINRJ-CSKARUKUSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+",C=C/C(C)=C/CC=C(C)C,C10H16,pos_1_1proton,136.125200512,IHPKGUQCSIINRJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12929,4081,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-SNVBAGLBSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1",C=C(C)[C@@H]1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12930,4081,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",CC1=CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12931,4081,-1,,,,0.0,MS1_match,MOYAFQVGZZPNRA-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",CC1=CCC(=C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,MOYAFQVGZZPNRA,Terpenoids,Monoterpenoids,,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12932,4081,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",C=C(C)[C@H]1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12933,4081,-1,,,,0.0,MS1_match,MOYAFQVGZZPNRA-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",CC1=CCC(=C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,MOYAFQVGZZPNRA,Terpenoids,Monoterpenoids,,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12934,4081,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12935,4081,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12936,4081,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12937,4081,-1,,,,0.0,MS1_match,OGLDWXZKYODSOB-SNVBAGLBSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",CC1=CC[C@H](C(C)C)C=C1,C10H16,pos_1_1proton,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12938,4081,-1,,,,0.0,MS1_match,LFJQCDVYDGGFCH-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1",C=C1C=C[C@H](C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,LFJQCDVYDGGFCH,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12939,4081,-1,,,,0.0,MS1_match,YKFLAYDHMOASIY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",CC1=CCC(C(C)C)=CC1,C10H16,pos_1_1proton,136.125200512,YKFLAYDHMOASIY,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12940,4081,-1,,,,0.0,MS1_match,NDVASEGYNIMXJL-NXEZZACHSA-N,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1",C=C1CC[C@]2(C(C)C)C[C@H]12,C10H16,pos_1_1proton,136.125200512,NDVASEGYNIMXJL,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 12941,4081,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 12942,4080,-1,,,,0.0,MS1_match,ZYKYRAKTCKLASZ-NJYJVTDWSA-N,"InChI=1S/C33H56N2O3/c1-10-21(2)29(37)30(38)35(9)28-14-11-23-19-24-15-17-32(5)25(22(3)34(7)8)16-18-33(32,6)27(24)13-12-26(23)31(28,4)20-36/h15,19,21-22,25-29,36-37H,10-14,16-18,20H2,1-9H3/t21-,22-,25+,26+,27+,28-,29-,31-,32+,33-/m0/s1",CC[C@H](C)[C@H](O)C(=O)N(C)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO,C33H56N2O3,pos_2_2proton,528.429093652,ZYKYRAKTCKLASZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 12943,4078,1827,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1sodium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 12944,4077,-1,,,,0.0,MS1_match,TWXLNQHRCVWVAT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(30)39-12-21-25(42-16(3)32)26(43-17(4)33)24(37)28(44-21)46-29(13-41-15(2)31)27(38)23(36)20(45-29)11-40-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,TWXLNQHRCVWVAT,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12945,4077,-1,,,,0.0,MS1_match,QTCGKWBMZVFTMC-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)10-7-18-5-8-19(34)9-6-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,QTCGKWBMZVFTMC,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12946,4077,-1,,,,0.0,MS1_match,XWPPRVNDLPFLQI-VAVFHNSSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,XWPPRVNDLPFLQI,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12947,4077,-1,,,,0.0,MS1_match,JAUBIJLYWFRNRW-FFGRLGQTSA-N,"InChI=1S/C29H36O17/c1-14(30)39-11-20-23(36)25(38)26(42-17(4)33)28(43-20)46-29(13-41-16(3)32)27(24(37)21(45-29)12-40-15(2)31)44-22(35)9-8-18-6-5-7-19(34)10-18/h5-10,20-21,23-28,34,36-38H,11-13H2,1-4H3/b9-8-/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C\c2cccc(O)c2)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,JAUBIJLYWFRNRW,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 12948,4077,-1,,,,0.0,MS1_match,LGQLHZODXDTPIE-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(32)39-12-21-24(40-15(2)33)25(41-16(3)34)26(42-17(4)35)28(43-21)46-29(13-31)27(23(38)20(11-30)45-29)44-22(37)10-7-18-5-8-19(36)9-6-18/h5-10,20-21,23-28,30-31,36,38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,LGQLHZODXDTPIE,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12949,4077,-1,,,,0.0,MS1_match,VQQQOHZYZBIHTQ-SZPJFCLSSA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-23(37)25(41-16(3)33)26(42-17(4)34)28(43-21)46-29(13-40-15(2)32)27(24(38)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C29H36O17,pos_1_1proton1ammonium,656.195249692,VQQQOHZYZBIHTQ,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12950,4077,-1,,,,0.0,MS1_match,UULRBMDSYFJFGT-VZOQTWIESA-N,"InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,UULRBMDSYFJFGT,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 12951,4077,-1,,,,0.0,MS1_match,GHWCYGFRVFZILX-XQUPJRSRSA-N,"InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C29H36O17,pos_1_1proton1ammonium,656.195249692,GHWCYGFRVFZILX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 12952,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tridax procumbens,709028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Tridax'],['Tridax procumbens'],4,0,7.491408586502075 12953,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Brickellia microphylla,3899966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia microphylla'],4,0,7.491408586502075 12954,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea africana,1066133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea africana'],4,0,7.491408586502075 12955,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticoides africana,1066133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea africana'],4,0,7.491408586502075 12956,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea bracteata,1033061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bracteata'],4,0,7.491408586502075 12957,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea jacea,242075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea jacea'],4,0,7.491408586502075 12958,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Galinsoga ciliata,400164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Galinsoga'],['Galinsoga quadriradiata'],4,0,7.491408586502075 12959,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ranunculus laetus,714302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Ranunculeae'],['Ranunculus'],['Ranunculus laetus'],4,0,7.491408586502075 12960,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Brickellia glutinosa,5794427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia glutinosa'],4,0,7.491408586502075 12961,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],4,0,7.491408586502075 12962,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea nigra,717413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nigra'],4,0,7.491408586502075 12963,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Galinsoga quadriradiata,400164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Galinsoga'],['Galinsoga quadriradiata'],4,0,7.491408586502075 12964,4076,-1,,,,0.87285215,ISDB,GGMCFLXPZMBJMV-NPVWYNPDSA-N,"InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O,C24H26O13,,522.1373408919998,GGMCFLXPZMBJMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Bidens pilosa,315599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens pilosa'],4,0,7.491408586502075 12965,4073,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.38339707,ISDB,YKGRPAXRFUOTAY-LLVKDONJSA-N,"InChI=1S/C15H16O3/c1-9-6-14(18-8-9)15(17)11(3)12-5-4-10(2)13(16)7-12/h4-8,11,16H,1-3H3/t11-/m1/s1",Cc1coc(C(=O)[C@H](C)c2ccc(C)c(O)c2)c1,C15H16O3,,244.109944372,YKGRPAXRFUOTAY,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,8.533588290214539 12966,4071,-1,,,,0.74528,ISDB,KHBOEHDNAZWJMH-ZGILUUTNSA-N,"InChI=1S/C25H43NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-20,26-28H,7-14H2,1-6H3/t15-,16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C25H43NO2,,389.329379616,KHBOEHDNAZWJMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,9.981120109558105 12967,4070,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 12968,4070,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 12969,4070,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,3,9.5 12970,4070,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,9.5 12971,4068,521,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.5544022,ISDB,PSBFVXDMNYDZMV-NXPFIYTNSA-N,"InChI=1S/C31H28O15/c1-42-20-8-13(2-5-17(20)34)3-7-23(37)43-12-22-25(38)27(40)28(41)31(45-22)46-30-26(39)24-19(36)10-15(32)11-21(24)44-29(30)14-4-6-16(33)18(35)9-14/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3/b7-3+/t22-,25-,27+,28+,31+/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@@H](O)[C@@H](O)[C@@H]2O)ccc1O,C31H28O15,,640.142820196,PSBFVXDMNYDZMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],3,2,6.217608690261841 12972,4067,-1,,,,0.2836506,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,0,7.134602427482605 12973,4066,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,UPZKVALKWPVPCH-UHFFFAOYSA-N,"InChI=1S/C35H44O12/c1-17-24(43-18(2)36)14-23-28(45-20(4)38)30-34(8,25(44-19(3)37)15-26-35(30,16-42-26)47-21(5)39)31(40)29(27(17)33(23,6)7)46-32(41)22-12-10-9-11-13-22/h9-13,23-26,28-31,40H,14-16H2,1-8H3",CC(=O)OC1CC2C(OC(C)=O)C3C4(OC(C)=O)COC4CC(OC(C)=O)C3(C)C(O)C(OC(=O)c3ccccc3)C(=C1C)C2(C)C,C35H44O12,pos_1_1proton1ethylamine,656.283276848,UPZKVALKWPVPCH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus floridana,1089675.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus floridana'],6,3,7.5 12974,4066,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JQCUSGKZTBCFPV-BEISSDHJSA-N,"InChI=1S/C35H44O12/c1-17-24(40)15-26(44-20(4)37)34(9)28(17)30(45-21(5)38)35(33(7,8)42)16-25(43-19(3)36)18(2)27(35)29(31(34)46-22(6)39)47-32(41)23-13-11-10-12-14-23/h10-14,24-26,28-31,40,42H,1,15-16H2,2-9H3/t24-,25-,26-,28-,29+,30-,31-,34+,35-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C35H44O12,pos_1_1proton1ethylamine,656.2832768479999,JQCUSGKZTBCFPV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 12975,4066,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,JQCUSGKZTBCFPV-BEISSDHJSA-N,"InChI=1S/C35H44O12/c1-17-24(40)15-26(44-20(4)37)34(9)28(17)30(45-21(5)38)35(33(7,8)42)16-25(43-19(3)36)18(2)27(35)29(31(34)46-22(6)39)47-32(41)23-13-11-10-12-14-23/h10-14,24-26,28-31,40,42H,1,15-16H2,2-9H3/t24-,25-,26-,28-,29+,30-,31-,34+,35-/m0/s1",C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)[C@@H](OC(C)=O)[C@H]12,C35H44O12,pos_1_1proton1ethylamine,656.2832768479999,JQCUSGKZTBCFPV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 12976,4065,-1,,,,0.46531937,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,9.861277461051941 12977,4064,-1,,,,0.48299402,ISDB,NYZKFMALHZMJAX-LYKGIQKJSA-N,"InChI=1S/C31H52N2O2/c1-10-20(2)27(34)32-26-15-18-31(35)19-22-13-16-29(6)23(21(3)33(8)9)14-17-30(29,7)24(22)11-12-25(31)28(26,4)5/h10,13,21,23-26,35H,11-12,14-19H2,1-9H3,(H,32,34)/b20-10+/t21-,23+,24+,25-,26-,29+,30-,31-/m0/s1",C/C=C(\C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C31H52N2O2,,484.402878904,NYZKFMALHZMJAX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,9.931976079940796 12978,4063,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,JARKCYVAAOWBJS-UHFFFAOYSA-N,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",CCCCCC=O,C6H12O,pos_2MHCH3CN,100.088815004,JARKCYVAAOWBJS,Fatty acids,Fatty acyls,Fatty aldehydes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 12979,4063,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,HIGQPQRQIQDZMP-DHZHZOJOSA-N,"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+",CC(=O)OC/C=C(\C)CCC=C(C)C,C12H20O2,pos_1_1proton1ethylamine,196.14632988,HIGQPQRQIQDZMP,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea schrenkiana,463853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea schrenkiana'],6,0,6.0 12980,4063,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,IGODOXYLBBXFDW-LLVKDONJSA-N,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3/t11-/m1/s1",CC(=O)OC(C)(C)[C@@H]1CC=C(C)CC1,C12H20O2,pos_1_1proton1ethylamine,196.14632988,IGODOXYLBBXFDW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 12981,4063,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,KGEKLUUHTZCSIP-UHFFFAOYSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",CC(=O)OC1CC2CCC1(C)C2(C)C,C12H20O2,pos_1_1proton1ethylamine,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 12982,4063,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,KGEKLUUHTZCSIP-UHFFFAOYSA-N,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",CC(=O)OC1CC2CCC1(C)C2(C)C,C12H20O2,pos_1_1proton1ethylamine,196.14632988,KGEKLUUHTZCSIP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 12983,4060,3091,Alkaloids,Ornithine alkaloids,Polyamines,0.30452546,ISDB,NSFADCCUMXFUMB-UHFFFAOYSA-N,"InChI=1S/C13H26N2O2/c1-11(2)7-8-13(17)15-10-6-4-5-9-14-12(3)16/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)",CC(=O)NCCCCCNC(=O)CCC(C)C,C13H26N2O2,,242.199428072,NSFADCCUMXFUMB,Alkaloids,Ornithine alkaloids,Polyamines,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.7181018590927124 12984,4059,-1,,,,0.0,MS1_match,WADYKEXZFJETKH-ZIUWCRSOSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h16-18,21,24H,8-15H2,1-7H3/b20-16-/t18-,21-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)OC1=O,C30H42O3,pos_2_1magnesium,450.313395204,WADYKEXZFJETKH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 12985,4059,-1,,,,0.0,MS1_match,WAIAURMVELTZIW-MQHRPXFRSA-N,"InChI=1S/C30H42O3/c1-18-16-20(33-26(18)32)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(31)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16-17,19,22,24-25,31H,9-10,12-15H2,1-7H3/b20-17-/t19-,22-,24-,25-,28-,29+,30-/m1/s1",CC1=C/C(=C/[C@@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O,C30H42O3,pos_2_1magnesium,450.313395204,WAIAURMVELTZIW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,6.0 12986,4059,-1,,,,0.0,MS1_match,ZPIUPTHPMLQGMP-YPBWBHRZSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,11,16-18,21,24-25,31H,9-10,12-15H2,1-7H3/b20-16+/t18-,21-,24+,25-,28-,29-,30+/m1/s1",CC1=C/C(=C\[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@]23C)OC1=O,C30H42O3,pos_2_1magnesium,450.313395204,ZPIUPTHPMLQGMP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies pindrow,200117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pindrow'],6,0,6.0 12987,4059,-1,,,,0.0,MS1_match,ZPIUPTHPMLQGMP-UHFFFAOYSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,11,16-18,21,24-25,31H,9-10,12-15H2,1-7H3",CC1=CC(=CC(C)C2CCC3(C)C4=CCC5C(C)(CCC(O)C5(C)C)C4=CCC23C)OC1=O,C30H42O3,pos_2_1magnesium,450.313395204,ZPIUPTHPMLQGMP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 12988,4059,-1,,,,0.0,MS1_match,UYHPXELOHFWNJE-VIRGIBLWSA-N,"InChI=1S/C30H42O3/c1-18(16-20-17-19(2)26(32)33-20)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16-18,21-22,24H,9-15H2,1-7H3/b20-16-/t18-,21-,22-,24-,28-,29-,30+/m1/s1",CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O,C30H42O3,pos_2_1magnesium,450.313395204,UYHPXELOHFWNJE,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 12989,4059,-1,,,,0.0,MS1_match,WAIAURMVELTZIW-MQHRPXFRSA-N,"InChI=1S/C30H42O3/c1-18-16-20(33-26(18)32)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(31)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16-17,19,22,24-25,31H,9-10,12-15H2,1-7H3/b20-17-/t19-,22-,24-,25-,28-,29+,30-/m1/s1",CC1=C/C(=C/[C@@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O,C30H42O3,pos_2_1magnesium,450.313395204,WAIAURMVELTZIW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 12990,4056,224,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,pos_2_2proton,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12991,4056,224,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QYYVJMYMRMHFOG-CYBVICEPSA-N,"InChI=1S/C33H50N2O2/c1-22(35(6)7)25-16-19-32(5)26-13-14-27-30(2,3)28(34-29(36)23-11-9-8-10-12-23)17-20-33(27,37)21-24(26)15-18-31(25,32)4/h8-12,15,22,25-28,37H,13-14,16-21H2,1-7H3,(H,34,36)/t22-,25+,26+,27-,28-,31+,32-,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@]4(O)CC3=CC[C@]12C)N(C)C,C33H50N2O2,pos_2_2proton,506.38722884,QYYVJMYMRMHFOG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 12992,4055,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1methanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 12993,4055,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1methanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 12994,4054,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MQMTVWHXCSRCER-BZPRNGGBSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,pos_1_1sodium,754.2320291240003,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus thymifolius,6109563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus thymifolius'],7,3,8.5 12995,4054,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MQMTVWHXCSRCER-BZPRNGGBSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,pos_1_1sodium,754.2320291240003,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 12996,4054,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MQMTVWHXCSRCER-UHFFFAOYSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,pos_1_1sodium,754.232029124,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 12997,4054,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MQMTVWHXCSRCER-BZPRNGGBSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,pos_1_1sodium,754.2320291240003,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus thymifolius,6109563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus thymifolius'],7,3,8.5 12998,4054,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MQMTVWHXCSRCER-BZPRNGGBSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,pos_1_1sodium,754.2320291240003,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 12999,4054,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MQMTVWHXCSRCER-UHFFFAOYSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,pos_1_1sodium,754.232029124,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 13000,4054,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JMALHOZLBNCFFO-GPVVNOSQSA-N,"InChI=1S/C34H42O19/c1-11-20(36)24(40)27(43)33(49-11)53-31-21(37)12(2)48-32(29(31)45)47-10-18-22(38)25(41)28(44)34(52-18)50-14-6-4-13(5-7-14)30-26(42)23(39)19-16(35)8-15(46-3)9-17(19)51-30/h4-9,11-12,18,20-22,24-25,27-29,31-38,40-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,27+,28+,29+,31+,32+,33-,34+/m0/s1",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc3)oc2c1,C34H42O19,pos_1_1sodium,754.2320291240004,JMALHOZLBNCFFO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 13001,4054,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CGNAHCOLJLGPEQ-BVAHMRQMSA-N,"InChI=1S/C34H42O19/c1-11-20(37)23(40)26(43)33(48-11)52-29-12(2)49-32(28(45)25(29)42)47-10-18-21(38)24(41)27(44)34(51-18)53-31-22(39)19-16(36)8-15(46-3)9-17(19)50-30(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-21,23-29,32-38,40-45H,10H2,1-3H3/t11-,12+,18-,20-,21+,23-,24+,25+,26-,27+,28+,29-,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](CO[C@@H]4O[C@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,pos_1_1sodium,754.232029124,CGNAHCOLJLGPEQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus formosana,6109468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus formosana'],7,3,8.5 13002,4053,-1,,,,0.7845016,ISDB,MQMTVWHXCSRCER-BZPRNGGBSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,,754.2320291240003,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus thymifolius,6109563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus thymifolius'],7,0,10.138006448745728 13003,4053,-1,,,,0.7845016,ISDB,MQMTVWHXCSRCER-BZPRNGGBSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,,754.2320291240003,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,0,10.138006448745728 13004,4053,-1,,,,0.7845016,ISDB,MQMTVWHXCSRCER-UHFFFAOYSA-N,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1,C34H42O19,,754.232029124,MQMTVWHXCSRCER,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,0,10.138006448745728 13005,4051,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LOMXQCXSNSCLNP-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-13(25)6-10(30-2)7-14(15)32-20(21)9-3-4-11(23)12(24)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O11,pos_1_1proton,462.1162115239998,LOMXQCXSNSCLNP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 13006,4051,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LOMXQCXSNSCLNP-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-13(25)6-10(30-2)7-14(15)32-20(21)9-3-4-11(23)12(24)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O11,pos_1_1proton,462.1162115239998,LOMXQCXSNSCLNP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 13007,4050,-1,,,,0.0,MS1_match,SCZVLDHREVKTSH-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C16H12O6,pos_1_1proton,300.063388104,SCZVLDHREVKTSH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rhamnus taquetii,3902728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus taquetii'],7,0,7.0 13008,4050,-1,,,,0.0,MS1_match,GLLRIXZGBQOFLM-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-6-3-7-11(8(17)4-6)16(21)12-9(18)5-10(22-2)15(20)13(12)14(7)19/h3-5,17-18,20H,1-2H3",COc1cc(O)c2c(c1O)C(=O)c1cc(C)cc(O)c1C2=O,C16H12O6,pos_1_1proton,300.063388104,GLLRIXZGBQOFLM,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,0,7.0 13009,4050,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,0,7.0 13010,4050,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,0,7.0 13011,4050,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,0,7.0 13012,4050,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus pallasii,7056831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus pallasii'],7,0,7.0 13013,4050,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus lycioides,115710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus lycioides'],7,0,7.0 13014,4050,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus thymifolius,6109563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus thymifolius'],7,0,7.0 13015,4050,-1,,,,0.0,MS1_match,SCZVLDHREVKTSH-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C16H12O6,pos_1_1proton,300.063388104,SCZVLDHREVKTSH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,0,7.0 13016,4050,-1,,,,0.0,MS1_match,SCZVLDHREVKTSH-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C16H12O6,pos_1_1proton,300.063388104,SCZVLDHREVKTSH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,0,7.0 13017,4050,-1,,,,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_1_1proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,0,7.0 13018,4049,-1,,,,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1sodium,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 13019,4049,-1,,,,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1sodium,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13020,4049,-1,,,,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1sodium,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 13021,4049,-1,,,,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1sodium,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 13022,4048,-1,,,,0.39029568,ISDB,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,9.561182737350464 13023,4047,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4864984,ISDB,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.445993542671204 13024,4046,-1,,,,0.7142504,ISDB,KFLDXHQJVVNZHY-CNTPUZDVSA-N,"InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-17-18-13-14-19-20(24(25)26)12-11-16-15-21(17)23(18)22(16)19/h2-3,11-14,16-23H,4-10,15H2,1H3,(H,25,26)/b3-2+/t16-,17+,18-,19-,20-,21-,22-,23-/m0/s1",C/C=C/CCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H]4[C@@H]2[C@H]1C[C@@H]4C=C[C@@H]3C(=O)O,C24H34O2,,354.255880328,KFLDXHQJVVNZHY,Polyketides,Cyclic polyketides,,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],4,0,6.857001543045044 13025,4045,-1,,,,0.4234283,ISDB,CLUHKBJNLKADHQ-BJMVGYQFSA-N,"InChI=1S/C20H18O4/c1-20(2)12-11-14-6-9-16(18(23)19(14)24-20)17(22)10-5-13-3-7-15(21)8-4-13/h3-12,21,23H,1-2H3/b10-5+",CC1(C)C=Cc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2O1,C20H18O4,,322.120509056,CLUHKBJNLKADHQ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,0,5.693713188171387 13026,4045,-1,,,,0.4234283,ISDB,CLUHKBJNLKADHQ-BJMVGYQFSA-N,"InChI=1S/C20H18O4/c1-20(2)12-11-14-6-9-16(18(23)19(14)24-20)17(22)10-5-13-3-7-15(21)8-4-13/h3-12,21,23H,1-2H3/b10-5+",CC1(C)C=Cc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2O1,C20H18O4,,322.120509056,CLUHKBJNLKADHQ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],4,0,5.693713188171387 13027,4043,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HDIPTJUHEOGXQC-SNVBAGLBSA-N,"InChI=1S/C19H18N2O4/c1-10(22)14-8-20-9-15-13(14)6-16-12-7-17(23)18(25-2)5-11(12)3-4-21(16)19(15)24/h5-10,22-23H,3-4H2,1-2H3/t10-/m1/s1",COc1cc2c(cc1O)-c1cc3c([C@@H](C)O)cncc3c(=O)n1CC2,C19H18N2O4,pos_2_2proton2acetonitrile,338.1266570559999,HDIPTJUHEOGXQC,Alkaloids,Tyrosine alkaloids,Terpenoid tetrahydroisoquinoline alkaloids,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],6,0,6.0 13028,4043,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,HDIPTJUHEOGXQC-SNVBAGLBSA-N,"InChI=1S/C19H18N2O4/c1-10(22)14-8-20-9-15-13(14)6-16-12-7-17(23)18(25-2)5-11(12)3-4-21(16)19(15)24/h5-10,22-23H,3-4H2,1-2H3/t10-/m1/s1",COc1cc2c(cc1O)-c1cc3c([C@@H](C)O)cncc3c(=O)n1CC2,C19H18N2O4,pos_2_2proton2acetonitrile,338.1266570559999,HDIPTJUHEOGXQC,Alkaloids,Tyrosine alkaloids,Terpenoid tetrahydroisoquinoline alkaloids,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],6,0,6.0 13029,4042,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5061114,ISDB,FYHHLMRXXMJAPQ-FEEPWOQDSA-N,"InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-20(35)11-18-21(38-28)12-23-25(27(18)36)26-24-19(34)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,20,26,28-29,31-37H,11H2/t20-,26-,28-,29-,30+/m1/s1",Oc1ccc([C@H]2Oc3cc4c(c(O)c3C[C@H]2O)[C@H]2c3c(O)cc(O)cc3O[C@@](c3ccc(O)cc3)(O4)[C@@H]2O)cc1,C30H24O10,,544.136946968,FYHHLMRXXMJAPQ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ephedra,673430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Ephedrales'],['Ephedraceae'],['Unknown'],['Ephedra'],['Unknown'],3,3,6.524445533752441 13030,4041,-1,,,,0.52761173,ISDB,QQKAHDMMPBQDAC-CQSZACIVSA-N,"InChI=1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3/t14-/m1/s1",COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3NCC2,C18H19NO2,,281.14157884800005,QQKAHDMMPBQDAC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,10.11044692993164 13031,4040,1596,Polyketides,Lignans,Miscellaneous meroterpenoids,0.6795907,ISDB,KNFUWJAIDVAYOV-ONEGZZNKSA-N,"InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+",C/C=C/c1ccc2oc(-c3ccc(O)cc3)c(C)c2c1,C18H16O2,,264.115029752,KNFUWJAIDVAYOV,Shikimates and Phenylpropanoids,Lignans,,Eupomatia bennettii,971331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Eupomatiaceae'],['Unknown'],['Eupomatia'],['Eupomatia bennettii'],5,2,8.718362808227539 13032,4038,399,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5260924,ISDB,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.604369640350342 13033,4037,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,1,6.5 13034,4037,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1proton1ethylamine,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,1,6.5 13035,4035,398,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,pos_2_2proton,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13036,4034,-1,,,,0.5323723,ISDB,KPPSMCABJGUZGW-HYXAFXHYSA-N,"InChI=1S/C24H32O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h3,5,9,12-13,15-16,18-20,25-26H,1-2,4,6-8,10-11,14,17H2/b5-3-",Oc1cc(O)cc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O2,,352.240230264,KPPSMCABJGUZGW,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.129489183425903 13037,4033,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.5574722,ISDB,HKEAFJYKMMKDOR-VPRICQMDSA-N,"InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,C21H20O9,,416.1107322199998,HKEAFJYKMMKDOR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,1,8.729888916015625 13038,4032,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5380587,ISDB,LLMVHKRJAVIEOD-APRNLGALSA-N,"InChI=1S/C29H32O16/c1-10(30)24-20(36)22(38)29(43-24)44-26-17(9-40-11(2)31)42-28(23(39)21(26)37)45-27-19(35)18-15(34)7-14(33)8-16(18)41-25(27)12-3-5-13(32)6-4-12/h3-8,10,17,20-24,26,28-30,32-34,36-39H,9H2,1-2H3/t10-,17+,20-,21+,22+,23+,24-,26+,28-,29-/m0/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](C)O)[C@@H](O)[C@H]1O,C29H32O16,,636.169034944,LLMVHKRJAVIEOD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa multiflora,908464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa multiflora'],6,3,9.65223479270935 13039,4031,-1,,,,0.35525224,ISDB,BJLMUUKAICQBIY-UHFFFAOYSA-N,"InChI=1S/C25H37NO2/c1-2-3-12-19-24(27)20-15-9-7-5-4-6-8-10-16-21-25(28)26-22-23-17-13-11-14-18-23/h7,9,11,13-15,17-18,20H,2-6,8,10,12,16,19,21-22H2,1H3,(H,26,28)",CCCCCC(=O)C=CC=CCCCCCCCC(=O)NCc1ccccc1,C25H37NO2,,383.282429424,BJLMUUKAICQBIY,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.421008944511414 13040,4029,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,UXVJNYDGHSTBCL-NSHDSACASA-N,"InChI=1S/C18H15NO4/c1-2-12-17(22-7-20-12)15-9(1)5-11-14-10(3-4-19-11)6-13-18(16(14)15)23-8-21-13/h1-2,6,11,19H,3-5,7-8H2/t11-/m0/s1",c1cc2c(c3c1C[C@@H]1NCCc4cc5c(c-3c41)OCO5)OCO2,C18H15NO4,pos_1_1proton,309.10010796,UXVJNYDGHSTBCL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,3,7.5 13041,4029,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,UXVJNYDGHSTBCL-NSHDSACASA-N,"InChI=1S/C18H15NO4/c1-2-12-17(22-7-20-12)15-9(1)5-11-14-10(3-4-19-11)6-13-18(16(14)15)23-8-21-13/h1-2,6,11,19H,3-5,7-8H2/t11-/m0/s1",c1cc2c(c3c1C[C@@H]1NCCc4cc5c(c-3c41)OCO5)OCO2,C18H15NO4,pos_1_1proton,309.10010796,UXVJNYDGHSTBCL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea teleiandra,6027513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea teleiandra'],6,3,7.5 13042,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,0,6.0 13043,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,0,6.0 13044,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum macrostemon,17158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum macrostemon'],6,0,6.0 13045,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,0,6.0 13046,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum yabunikkei,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,0,6.0 13047,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum insulari-montanum,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,0,6.0 13048,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 13049,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 13050,4028,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_2MH,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 13051,4026,49,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 13052,4026,49,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 13053,4025,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,VZTUKBKUWSHDFM-CYBMUJFWSA-N,"InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/t13-/m1/s1",c1ccc2c(c1)C[C@H]1NCCc3cc4c(c-2c31)OCO4,C17H15NO2,pos_1_1proton,265.11027872,VZTUKBKUWSHDFM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 13054,4024,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.7121486,ISDB,UPWJCCNAQFLEDR-UHFFFAOYSA-N,"InChI=1S/C12H12N2O4/c1-5-9(15)7-6(10(16)11(5)18-3)4-14(2)12(17)8(7)13/h4H,13H2,1-3H3",COC1=C(C)C(=O)c2c(cn(C)c(=O)c2N)C1=O,C12H12N2O4,,248.079706864,UPWJCCNAQFLEDR,Alkaloids,,,Neopetrosia similis,4939026.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Neopetrosia'],['Neopetrosia similis'],1,1,4.348594427108765 13055,4023,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,8.5 13056,4023,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13057,4023,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 13058,4023,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 13059,4023,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13060,4023,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 13061,4023,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13062,4022,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 13063,4022,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13064,4022,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13065,4022,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 13066,4022,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13067,4022,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13068,4022,-1,,,,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13069,4021,-1,,,,0.9054272,ISDB,UPGREHAFOATQFI-GGURZLOHSA-N,"InChI=1S/C19H28O3/c1-11(2)19-9-6-13-12(16(19)22-19)10-14(20)15-17(13,3)7-5-8-18(15,4)21/h10-11,13,15-16,21H,5-9H2,1-4H3/t13-,15+,16-,17+,18-,19-/m0/s1",CC(C)[C@@]12CC[C@H]3C(=CC(=O)[C@@H]4[C@]3(C)CCC[C@]4(C)O)[C@@H]1O2,C19H28O3,,304.203844756,UPGREHAFOATQFI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,0,8.621708869934082 13070,4020,-1,,,,0.0,MS1_match,MOYFRUOSASPJJM-ADGPFQHRSA-N,"InChI=1S/C26H40O3/c1-16(15-22(28)29)17-9-13-26(6)19-7-8-20-23(2,3)21(27)11-12-24(20,4)18(19)10-14-25(17,26)5/h7,16-18,20H,8-15H2,1-6H3,(H,28,29)/t16-,17-,18-,20+,24-,25-,26+/m1/s1",C[C@H](CC(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,C26H40O3,pos_1_minus1proton1iron,400.29774514,MOYFRUOSASPJJM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 13071,4019,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.22328132,ISDB,DFNQUEFMFPLIEF-WXZMFDLCSA-N,"InChI=1S/C39H56N2O7/c1-23(41(8)9)34-33(48-26(4)44)21-39(7)31-16-15-30-29(19-28(31)17-18-38(34,39)6)20-32(47-25(3)43)35(37(30,5)22-46-24(2)42)40-36(45)27-13-11-10-12-14-27/h10-14,20,23,28,30-35H,15-19,21-22H2,1-9H3,(H,40,45)/t23-,28+,30+,31+,32+,33+,34-,35-,37-,38+,39-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]34C)CC2=C[C@@H](OC(C)=O)[C@@H]1NC(=O)c1ccccc1,C39H56N2O7,,664.408752132,DFNQUEFMFPLIEF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,10.393125295639038 13072,4017,502,Shikimates and Phenylpropanoids,Isoflavonoids,Azaphilones,0.5453842,ISDB,GLPDBGACWOZVNL-ZETCQYMHSA-N,"InChI=1S/C9H8O4/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-3,7,10-11H,4H2/t7-/m0/s1",O=C1c2ccc(O)cc2OC[C@@H]1O,C9H8O4,,180.042258736,GLPDBGACWOZVNL,Shikimates and Phenylpropanoids,Isoflavonoids,,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],4,2,7.181536912918091 13073,4016,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1proton1ammonium,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 13074,4016,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1proton1ammonium,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13075,4016,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1proton1ammonium,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 13076,4016,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1proton1ammonium,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 13077,4015,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.266449,ISDB,VLPVUIRIUAFQJG-LUSDKIBFSA-N,"InChI=1S/C39H64O10/c1-21(2)23(5)11-18-39(10,46)26-13-17-38(9)31(26)27(48-35-34(47-24(6)41)33(45)32(44)28(20-40)49-35)19-29-36(7,15-14-30(42)43)25(22(3)4)12-16-37(29,38)8/h21,25-29,31-35,40,44-46H,3,5,11-20H2,1-2,4,6-10H3,(H,42,43)/t25-,26-,27+,28+,29+,31+,32+,33-,34+,35+,36-,37+,38+,39-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C39H64O10,,692.449948248,VLPVUIRIUAFQJG,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],4,0,5.0657960176467896 13078,4015,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.266449,ISDB,VLPVUIRIUAFQJG-LUSDKIBFSA-N,"InChI=1S/C39H64O10/c1-21(2)23(5)11-18-39(10,46)26-13-17-38(9)31(26)27(48-35-34(47-24(6)41)33(45)32(44)28(20-40)49-35)19-29-36(7,15-14-30(42)43)25(22(3)4)12-16-37(29,38)8/h21,25-29,31-35,40,44-46H,3,5,11-20H2,1-2,4,6-10H3,(H,42,43)/t25-,26-,27+,28+,29+,31+,32+,33-,34+,35+,36-,37+,38+,39-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C39H64O10,,692.449948248,VLPVUIRIUAFQJG,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],4,0,5.0657960176467896 13079,4013,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 13080,4013,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 13081,4012,398,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DFNQUEFMFPLIEF-WXZMFDLCSA-N,"InChI=1S/C39H56N2O7/c1-23(41(8)9)34-33(48-26(4)44)21-39(7)31-16-15-30-29(19-28(31)17-18-38(34,39)6)20-32(47-25(3)43)35(37(30,5)22-46-24(2)42)40-36(45)27-13-11-10-12-14-27/h10-14,20,23,28,30-35H,15-19,21-22H2,1-9H3,(H,40,45)/t23-,28+,30+,31+,32+,33+,34-,35-,37-,38+,39-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]34C)CC2=C[C@@H](OC(C)=O)[C@@H]1NC(=O)c1ccccc1,C39H56N2O7,pos_2_2proton,664.408752132,DFNQUEFMFPLIEF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13082,4009,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5612241,ISDB,HTFXGXDOSNTRNI-QMNMOEQPSA-N,"InChI=1S/C38H62O10/c1-20(17-39)9-8-10-21(2)28-24(43)16-36(7)26-15-23(42)32-34(4,5)27(11-12-38(32)19-37(26,38)14-13-35(28,36)6)48-33-31(46-22(3)41)30(45)29(44)25(18-40)47-33/h9,21,23-33,39-40,42-45H,8,10-19H2,1-7H3/b20-9+/t21-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33+,35-,36+,37+,38-/m1/s1",CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)CO)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O)[C@H]4C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O,C38H62O10,,678.434298184,HTFXGXDOSNTRNI,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Astragalus kahiricus,886341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus kahiricus'],4,0,6.244896411895752 13083,4008,-1,,,,0.0,MS1_match,CNUYQHVJXXHWTA-GHNVHIJPSA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,27+,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_1_1proton1methanol,466.355928712,CNUYQHVJXXHWTA,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 13084,4008,-1,,,,0.0,MS1_match,CNUYQHVJXXHWTA-HPZHWEIISA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,27-,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_1_1proton1methanol,466.355928712,CNUYQHVJXXHWTA,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,6.0 13085,4008,-1,,,,0.0,MS1_match,XIHQWIIPJIXLEO-FXHHUKKCSA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)23-13-14-24-22-12-11-21-17-26(31-28(34)20-9-7-6-8-10-20)27(33)18-30(21,3)25(22)15-16-29(23,24)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_1_1proton1methanol,466.355928712,XIHQWIIPJIXLEO,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 13086,4008,-1,,,,0.0,MS1_match,GCHGDPVSONOHQE-PNUJEHDGSA-N,"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,12,18-20,22,24H,9,11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,24-,27+,28+/m0/s1",C/C=C(\C)C(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O,C28H42N2O2,pos_1_1proton1isopropanol,438.324628584,GCHGDPVSONOHQE,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 13087,4008,-1,,,,0.0,MS1_match,QSIASPXMKRQPDR-DDVRDOFFSA-N,"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,11,14,18-19,21-23H,9-10,12-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,21-,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1=O,C28H42N2O2,pos_1_1proton1isopropanol,438.324628584,QSIASPXMKRQPDR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 13088,4008,-1,,,,0.0,MS1_match,KUJJMZAMJWXAJU-LSAQCAEWSA-N,"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,12,14,18-20,22-23H,9-11,13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,23-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O,C28H42N2O2,pos_1_1proton1isopropanol,438.324628584,KUJJMZAMJWXAJU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 13089,4008,-1,,,,0.0,MS1_match,ONOCTNWHGZQBIB-ITRUMCIZSA-N,"InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,14,18-22H,9,11-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,27+,28+/m0/s1",C/C=C(\C)C(=O)NC1=CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O,C28H42N2O2,pos_1_1proton1isopropanol,438.324628584,ONOCTNWHGZQBIB,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 13090,4007,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.65174663,ISDB,ZSSOEDOJNKLXOG-HNAYVOBHSA-N,"InChI=1S/C19H22O5/c1-23-18-10-13(5-6-16(18)22)19-15(11-21)14-9-12(3-2-8-20)4-7-17(14)24-19/h4-7,9-10,15,19-22H,2-3,8,11H2,1H3/t15-,19+/m0/s1",COc1cc([C@H]2Oc3ccc(CCCO)cc3[C@@H]2CO)ccc1O,C19H22O5,,330.146723804,ZSSOEDOJNKLXOG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,10.10698652267456 13091,4006,-1,,,,0.3600868,ISDB,ZBFSUZGUYFFWGY-SFHVURJKSA-N,"InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O4,,314.15180918399994,ZBFSUZGUYFFWGY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,8.44034719467163 13092,4006,-1,,,,0.3600868,ISDB,ZBFSUZGUYFFWGY-SFHVURJKSA-N,"InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O4,,314.15180918399994,ZBFSUZGUYFFWGY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,8.44034719467163 13093,4003,2318,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,10.5 13094,4003,2318,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1potassium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,10.5 13095,4002,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 13096,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ammonium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13097,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ammonium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 13098,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ammonium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 13099,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GTGWRSYHHGXYAS-UHFFFAOYSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OCC(O)C(O)C1O,C24H30O8,pos_1_1proton1ammonium,446.19406792,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 13100,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ammonium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13101,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ammonium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 13102,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ammonium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 13103,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GTGWRSYHHGXYAS-UHFFFAOYSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OCC(O)C(O)C1O,C24H30O8,pos_1_1proton1ammonium,446.19406792,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 13104,4000,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,FITQTWOHVZNKOP-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-8-4-15(5-9-17)6-10-19(27)13-20(11-7-16-2-1-3-18(26)12-16)32-24-23(30)22(29)21(28)14-31-24/h1-5,8-9,12,20-26,28-30H,6-7,10-11,13-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ammonium,446.19406792,FITQTWOHVZNKOP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13105,3999,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-UHFFFAOYSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2",O=C(C=CCCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,8.5 13106,3999,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-DUXPYHPUSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 13107,3999,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-DUXPYHPUSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13108,3999,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-DUXPYHPUSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 13109,3999,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-UHFFFAOYSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2",O=C(C=CCCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 13110,3999,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKPVOVWRYJTYRF-OWOJBTEDSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-2,5-6,8-9,11-14,21-22H,3-4,7,10H2/b2-1+",O=C(C/C=C/Cc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,ZKPVOVWRYJTYRF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 13111,3997,-1,,,,0.0,MS1_match,LXEQIOGTMDLLEC-UHFFFAOYSA-N,"InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3",COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34,C17H12O8,pos_1_1proton,344.053217344,LXEQIOGTMDLLEC,Shikimates and Phenylpropanoids,Coumarins,,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,0,8.0 13112,3996,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ethylamine,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13113,3996,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ethylamine,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13114,3996,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ethylamine,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 13115,3996,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-UHFFFAOYSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OCC(O)C(O)C1O,C24H30O8,pos_1_1proton1ethylamine,446.19406792,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 13116,3996,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ethylamine,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13117,3996,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ethylamine,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13118,3996,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ethylamine,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 13119,3996,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-UHFFFAOYSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OCC(O)C(O)C1O,C24H30O8,pos_1_1proton1ethylamine,446.19406792,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 13120,3996,-1,,,,0.0,MS1_match,FITQTWOHVZNKOP-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-8-4-15(5-9-17)6-10-19(27)13-20(11-7-16-2-1-3-18(26)12-16)32-24-23(30)22(29)21(28)14-31-24/h1-5,8-9,12,20-26,28-30H,6-7,10-11,13-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1proton1ethylamine,446.19406792,FITQTWOHVZNKOP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13121,3995,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1sodium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13122,3995,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1sodium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13123,3995,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1sodium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 13124,3995,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-UHFFFAOYSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OCC(O)C(O)C1O,C24H30O8,pos_1_1sodium,446.19406792,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 13125,3995,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1sodium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13126,3995,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1sodium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13127,3995,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1sodium,446.1940679199999,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 13128,3995,-1,,,,0.0,MS1_match,GTGWRSYHHGXYAS-UHFFFAOYSA-N,"InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2",O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OCC(O)C(O)C1O,C24H30O8,pos_1_1sodium,446.19406792,GTGWRSYHHGXYAS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 13129,3995,-1,,,,0.0,MS1_match,FITQTWOHVZNKOP-QOXFPCGXSA-N,"InChI=1S/C24H30O8/c25-17-8-4-15(5-9-17)6-10-19(27)13-20(11-7-16-2-1-3-18(26)12-16)32-24-23(30)22(29)21(28)14-31-24/h1-5,8-9,12,20-26,28-30H,6-7,10-11,13-14H2/t20-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O8,pos_1_1sodium,446.19406792,FITQTWOHVZNKOP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13130,3993,-1,,,,0.2458983,ISDB,FITFAFMCWGCVDQ-LJQANCHMSA-N,"InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m1/s1",O[C@H](CCCCc1ccccc1)CCc1ccccc1,C19H24O,,268.182715388,FITFAFMCWGCVDQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,0,6.983593225479126 13131,3991,-1,,,,0.0,MS1_match,XAEXDDRZTSBTMR-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-22(35)25(41-20(33)9-6-16-4-7-17(32)8-5-16)27(42-19,12-38-14(2)30)43-26-24(39-15(3)31)23(36)21(34)18(10-28)40-26/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,XAEXDDRZTSBTMR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13132,3991,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13133,3991,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13134,3991,-1,,,,0.0,MS1_match,OYHUIOMLUYPLSY-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-10-18-21(34)23(36)24(39-15(3)31)26(40-18)43-27(12-28)25(22(35)19(42-27)11-38-14(2)30)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,OYHUIOMLUYPLSY,Terpenoids,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13135,3991,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 13136,3991,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13137,3991,-1,,,,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1proton1ammonium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13138,3991,-1,,,,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13139,3991,-1,,,,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13140,3991,-1,,,,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1proton1ammonium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13141,3986,641,Alkaloids,Tyrosine alkaloids,Tetracyclic diterpenoids,0.2171684,ISDB,KESIQXYRXFIECZ-GKKQYMHISA-N,"InChI=1S/C30H37NO7/c1-14-12-19-22(23(14)33)24(34)15(2)13-20-25-28(5,6)30(25,38-17(4)32)26(16(3)29(19,20)36)37-27(35)18-10-8-9-11-21(18)31-7/h8-13,16,19-20,22,24-26,31,34,36H,1-7H3/t16-,19+,20+,22+,24-,25-,26-,29+,30-/m1/s1",CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@H]3C=C(C)C(=O)[C@H]3[C@H](O)C(C)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H37NO7,,523.257002524,KESIQXYRXFIECZ,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Shirakiopsis indica,3914924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Unknown'],['Shirakiopsis'],['Shirakiopsis indica'],3,3,5.368673622608185 13142,3986,641,Alkaloids,Tyrosine alkaloids,Tetracyclic diterpenoids,0.2171684,ISDB,KESIQXYRXFIECZ-UNEHIJSCSA-N,"InChI=1S/C30H37NO7/c1-14-12-19-22(23(14)33)24(34)15(2)13-20-25-28(5,6)30(25,38-17(4)32)26(16(3)29(19,20)36)37-27(35)18-10-8-9-11-21(18)31-7/h8-13,16,19-20,22,24-26,31,34,36H,1-7H3/t16-,19-,20+,22+,24-,25-,26-,29+,30-/m1/s1",CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3[C@H](O)C(C)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H37NO7,,523.2570025239999,KESIQXYRXFIECZ,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Triadica sebifera,363561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Triadica'],['Triadica sebifera'],3,3,5.368673622608185 13143,3983,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,YAWRAQDREAECPJ-IHNXBZDVSA-N,"InChI=1S/C33H40O9/c1-18-25(42-28(37)13-12-21-10-8-7-9-11-21)15-23-26(40-19(2)34)14-22-17-33(6,27(16-24(22)36)41-20(3)35)31(39)30(38)29(18)32(23,4)5/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1",CC(=O)O[C@H]1/C=C2\C[C@](C)(C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccccc4)C[C@@H]1C3(C)C)[C@@H](OC(C)=O)C[C@@H]2O,C33H40O9,pos_1_1proton1ethylamine,580.26723286,YAWRAQDREAECPJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13144,3983,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,KPJSIXYASDJWTJ-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(40-20(3)34)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(38)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,KPJSIXYASDJWTJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13145,3983,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,HLPVOSINJUNJAG-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-33(39)30(41-21(4)35)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)29(38)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C,C33H40O9,pos_1_1proton1ethylamine,580.2672328599998,HLPVOSINJUNJAG,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13146,3983,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZKZVPKCUBZJHRV-UHFFFAOYSA-N,"InChI=1S/C33H40O9/c1-18-23(36)17-31(39)28(41-21(4)35)33-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-30(33,7)26(38)27(40-20(3)34)32(18,33)29(31,5)6/h8-14,18,24,26-28,38-39H,2,15-17H2,1,3-7H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(O)(C(OC(C)=O)C123)C4(C)C,C33H40O9,pos_1_1proton1ethylamine,580.26723286,ZKZVPKCUBZJHRV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13147,3982,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RSVYNBKMYRAROU-RHFQGWMVSA-N,"InChI=1S/C34H50N2O2/c1-23(36(6)7)27-18-20-34(4)29-15-14-28-25(21-26(29)17-19-33(27,34)3)13-16-30(35-5)32(28,2)22-38-31(37)24-11-9-8-10-12-24/h8-12,17,21,23,27-30,35H,13-16,18-20,22H2,1-7H3/t23-,27+,28+,29+,30-,32-,33+,34-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)COC(=O)c1ccccc1,C34H50N2O2,pos_2_2proton,518.38722884,RSVYNBKMYRAROU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,8.5 13148,3981,-1,,,,0.45154482,ISDB,PBWFBFJNCUAIQQ-UHFFFAOYSA-N,"InChI=1S/C25H39NO3/c1-20(27)14-10-7-5-3-4-6-8-13-17-23-18-19-24(21(2)26-23)29-25(28)22-15-11-9-12-16-22/h9,11-12,15-16,21,23-24,26H,3-8,10,13-14,17-19H2,1-2H3",CC(=O)CCCCCCCCCCC1CCC(OC(=O)c2ccccc2)C(C)N1,C25H39NO3,,401.292994108,PBWFBFJNCUAIQQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,0,5.8061792850494385 13149,3978,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7939473,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,13.67578911781311 13150,3976,341,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.79179555,ISDB,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,11.667182207107544 13151,3975,-1,,,,0.5495757,ISDB,PEBQSWUQULBCGF-SFOAYJPGSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3/b22-19-/t13-,15-,16-,17+,18-,20-,21+,25+/m0/s1",CC1=C[C@@H]2CCC[C@H](C)[C@H]2[C@H](/C(O)=C2\C(=O)[C@@H](C(C)C)N(C)C2=O)[C@H]1[C@]1(C)O[C@H]1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.198302745819092 13152,3975,-1,,,,0.5495757,ISDB,PEBQSWUQULBCGF-SFOAYJPGSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3/b22-19-/t13-,15-,16-,17+,18-,20-,21+,25+/m0/s1",CC1=C[C@@H]2CCC[C@H](C)[C@H]2[C@H](/C(O)=C2\C(=O)[C@@H](C(C)C)N(C)C2=O)[C@H]1[C@]1(C)O[C@H]1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.198302745819092 13153,3975,-1,,,,0.5495757,ISDB,PEBQSWUQULBCGF-UHFFFAOYSA-N,"InChI=1S/C25H37NO4/c1-12(2)21-23(28)19(24(29)26(21)7)22(27)18-17-13(3)9-8-10-16(17)11-14(4)20(18)25(6)15(5)30-25/h11-13,15-18,20-21,27H,8-10H2,1-7H3",CC1=CC2CCCC(C)C2C(C(O)=C2C(=O)C(C(C)C)N(C)C2=O)C1C1(C)OC1C,C25H37NO4,,415.272258664,PEBQSWUQULBCGF,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys,4059636.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Unknown'],1,0,3.198302745819092 13154,3974,-1,,,,0.5077154,ISDB,,,,,,,OCQQYUFULBVKPY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0308616161346436 13155,3963,-1,,,,0.8028598,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia montbretii,6083376.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia montbretii'],3,0,6.21143913269043 13156,3963,-1,,,,0.8028598,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia ceratophylla,5921566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia ceratophylla'],3,0,6.21143913269043 13157,3963,-1,,,,0.8028598,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],3,0,6.21143913269043 13158,3963,-1,,,,0.8028598,ISDB,NFZRLEGLRQFHII-UHFFFAOYSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3",C=C1CCCc2c(C)ccc3c2C(O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],3,0,6.21143913269043 13159,3963,-1,,,,0.8028598,ISDB,NFZRLEGLRQFHII-FQEVSTJZSA-N,"InChI=1S/C20H24O2/c1-12(2)17-10-15-9-8-14(4)16-7-5-6-13(3)11-20(22,18(15)16)19(17)21/h8-10,12,22H,3,5-7,11H2,1-2,4H3/t20-/m0/s1",C=C1CCCc2c(C)ccc3c2[C@@](O)(C1)C(=O)C(C(C)C)=C3,C20H24O2,,296.177630008,NFZRLEGLRQFHII,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],3,0,6.21143913269043 13160,3962,-1,,,,0.6802985,ISDB,WXWWNANFOZVVLD-UHFFFAOYSA-N,"InChI=1S/C12H20N2O4/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17/h7-8,15-16H,5-6H2,1-4H3",CC(C)Cc1c(O)[n+](=O)c(CC(C)C)c(O)n1[O-],C12H20N2O4,,256.14230712,WXWWNANFOZVVLD,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Caesalpinia pulcherrima,434080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Caesalpinia'],['Caesalpinia pulcherrima'],3,0,5.72119402885437 13161,3961,-1,,,,0.25334162,ISDB,CBBSNXFBTMUDDB-UHFFFAOYSA-N,"InChI=1S/C17H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h8-11,17H,12-16H2,1H3",CC#CC#CC#CC=CC=CCCCCCC=O,C17H18O,,238.135765196,CBBSNXFBTMUDDB,Fatty acids,Fatty acyls,Fatty aldehydes,Volutaria muricata,911766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria muricata'],3,0,4.013366460800171 13162,3961,-1,,,,0.25334162,ISDB,CBBSNXFBTMUDDB-UHFFFAOYSA-N,"InChI=1S/C17H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h8-11,17H,12-16H2,1H3",CC#CC#CC#CC=CC=CCCCCCC=O,C17H18O,,238.135765196,CBBSNXFBTMUDDB,Fatty acids,Fatty acyls,Fatty aldehydes,Cyanopsis muricata,911766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria muricata'],3,0,4.013366460800171 13163,3953,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 13164,3953,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 13165,3953,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 13166,3953,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13167,3953,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 13168,3953,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 13169,3953,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 13170,3953,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13171,3951,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PQQRNPDHSJDAGV-UGJKOEBBSA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19-,20+,23-,25+,26-,28-/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ethylamine,582.231241276,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,1,6.5 13172,3951,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PQQRNPDHSJDAGV-UGJKOEBBSA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19-,20+,23-,25+,26-,28-/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ethylamine,582.231241276,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,1,6.5 13173,3951,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PQQRNPDHSJDAGV-MAYNYCRRSA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23-,25+,26+,28+/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ethylamine,582.231241276,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,1,6.5 13174,3951,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PQQRNPDHSJDAGV-UGJKOEBBSA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19-,20+,23-,25+,26-,28-/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ethylamine,582.231241276,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,1,6.5 13175,3951,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PQQRNPDHSJDAGV-UGJKOEBBSA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19-,20+,23-,25+,26-,28-/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ethylamine,582.231241276,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,1,6.5 13176,3951,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PQQRNPDHSJDAGV-MAYNYCRRSA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23-,25+,26+,28+/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ethylamine,582.231241276,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,1,6.5 13177,3948,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.65067303,ISDB,OSCHVWVCQJBFNN-USXIJHARSA-N,"InChI=1S/C18H20O5/c1-22-18-8-12(4-7-15(18)20)14-9-17(23-10-16(14)21)11-2-5-13(19)6-3-11/h2-8,14,16-17,19-21H,9-10H2,1H3/t14-,16+,17+/m0/s1",COc1cc([C@@H]2C[C@H](c3ccc(O)cc3)OC[C@H]2O)ccc1O,C18H20O5,,316.13107374,OSCHVWVCQJBFNN,Shikimates and Phenylpropanoids,Lignans,Neolignans,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],3,3,7.102692127227783 13178,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],4,3,8.138989210128784 13179,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Thymus pulegioides,878540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus pulegioides'],4,3,8.138989210128784 13180,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Centratherum punctatum,1028879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Centratherum'],['Centratherum punctatum'],4,3,8.138989210128784 13181,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Satureja thymbra,382234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Satureja'],['Satureja thymbra'],4,3,8.138989210128784 13182,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,3,8.138989210128784 13183,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Micromeria juliana,596693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria juliana'],4,3,8.138989210128784 13184,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Catha edulis,282743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Catha'],['Catha edulis'],4,3,8.138989210128784 13185,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Syzygium aromaticum,200286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium aromaticum'],4,3,8.138989210128784 13186,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Sideritis tragoriganum,290036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis tragoriganum'],4,3,8.138989210128784 13187,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Eucalyptus jensenii,3936090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus jensenii'],4,3,8.138989210128784 13188,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Tetradenia riparia,455159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Tetradenia'],['Tetradenia riparia'],4,3,8.138989210128784 13189,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Pimpinella serbica,3889402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella serbica'],4,3,8.138989210128784 13190,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Sideritis leucantha,5232694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis leucantha'],4,3,8.138989210128784 13191,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Lavandula stoechas,355949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula stoechas'],4,3,8.138989210128784 13192,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cymbopogon schoenanthus,913224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon schoenanthus'],4,3,8.138989210128784 13193,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Thymus capitatus,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,3,8.138989210128784 13194,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Thymus martinezii,27200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymbra'],['Thymbra capitata'],4,3,8.138989210128784 13195,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Stachys aegyptiaca,5232705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Stachys'],['Stachys aegyptiaca'],4,3,8.138989210128784 13196,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Ferula ovina,131374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Ferula'],['Ferula ovina'],4,3,8.138989210128784 13197,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Osbornia octodonta,594916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Osbornieae'],['Osbornia'],['Osbornia octodonta'],4,3,8.138989210128784 13198,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],4,3,8.138989210128784 13199,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Sideritis chamaedryfolia,762737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis chamaedryfolia'],4,3,8.138989210128784 13200,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.138989210128784 13201,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Alpinia katsumadai,6024866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia katsumadae'],4,3,8.138989210128784 13202,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Alpinia hainanensis,718420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia hainanensis'],4,3,8.138989210128784 13203,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cnicus benedictus,821531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea benedicta'],4,3,8.138989210128784 13204,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Centaurea benedicta,821531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea benedicta'],4,3,8.138989210128784 13205,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-OIBJUYFYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1",CC1(C)C(=O)[C@]2(C)CC[C@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,3,8.138989210128784 13206,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],4,3,8.138989210128784 13207,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Achillea abrotanoides,295546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea abrotanoides'],4,3,8.138989210128784 13208,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],4,3,8.138989210128784 13209,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,3,8.138989210128784 13210,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],4,3,8.138989210128784 13211,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],4,3,8.138989210128784 13212,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Ageratum conyzoides,885278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratum'],['Ageratum conyzoides'],4,3,8.138989210128784 13213,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Nigella sativa,142360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Nigelleae'],['Nigella'],['Nigella sativa'],4,3,8.138989210128784 13214,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Ocimum basilicum,305911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Ocimum'],['Ocimum basilicum'],4,3,8.138989210128784 13215,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Foeniculum vulgare,498475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Foeniculum'],['Foeniculum vulgare'],4,3,8.138989210128784 13216,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Etlingera pavieana,3946509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Etlingera'],['Etlingera pavieana'],4,3,8.138989210128784 13217,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],4,3,8.138989210128784 13218,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Plectranthus glabratus,802919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Plectranthus'],['Plectranthus glabratus'],4,3,8.138989210128784 13219,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Pistacia vera,200787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pistacia'],['Pistacia vera'],4,3,8.138989210128784 13220,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Zingiber mioga,777753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber mioga'],4,3,8.138989210128784 13221,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Aloysia citrodora,862761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Aloysia'],['Aloysia citrodora'],4,3,8.138989210128784 13222,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Aloysia triphylla,714151.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Aloysia'],['Aloysia triphylla'],4,3,8.138989210128784 13223,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Aloysia citriodora,862761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Aloysia'],['Aloysia citrodora'],4,3,8.138989210128784 13224,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Hyptis suaveolens,544483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Mesosphaerum'],['Mesosphaerum suaveolens'],4,3,8.138989210128784 13225,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Ducrosia ismaelis,3887233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Tordylieae'],['Ducrosia'],['Ducrosia ismaelis'],4,3,8.138989210128784 13226,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],4,3,8.138989210128784 13227,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Alpinia zerumbet,55230.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia zerumbet'],4,3,8.138989210128784 13228,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,3,8.138989210128784 13229,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Curcuma wenyujin,515926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma wenyujin'],4,3,8.138989210128784 13230,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Curcuma zedoaria,777750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma zedoaria'],4,3,8.138989210128784 13231,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Curcuma phaeocaulis,518972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma phaeocaulis'],4,3,8.138989210128784 13232,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Curcuma aromatica,1081978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma aromatica'],4,3,8.138989210128784 13233,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Sideritis pusilla,5800821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis pusilla'],4,3,8.138989210128784 13234,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Alpinia mutica,1074995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia mutica'],4,3,8.138989210128784 13235,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Santolina chamaecyparissus,944231.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina chamaecyparissus'],4,3,8.138989210128784 13236,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Hyssopus seravschanicus,304966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Hyssopus'],['Hyssopus seravschanicus'],4,3,8.138989210128784 13237,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Anethum graveolens,378039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Anethum'],['Anethum graveolens'],4,3,8.138989210128784 13238,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],4,3,8.138989210128784 13239,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Eucalyptus bridgesiana,3935900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus bridgesiana'],4,3,8.138989210128784 13240,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,8.138989210128784 13241,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Sideritis hirsuta,7629238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis hirsuta'],4,3,8.138989210128784 13242,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Chaerophyllum macrospermum,815181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Chaerophyllum'],['Chaerophyllum macrospermum'],4,3,8.138989210128784 13243,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Etlingera elatior,539421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Etlingera'],['Etlingera elatior'],4,3,8.138989210128784 13244,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Artemisia tridentata,368822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia tridentata'],4,3,8.138989210128784 13245,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Sideritis granatensis,7629238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis hirsuta'],4,3,8.138989210128784 13246,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Xylopia sericea,3868026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia sericea'],4,3,8.138989210128784 13247,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Zingiber zerumbet,733243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber zerumbet'],4,3,8.138989210128784 13248,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Cleonia lusitanica,927351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cleonia'],['Cleonia lusitanica'],4,3,8.138989210128784 13249,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Eucalyptus brassiana,275268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus brassiana'],4,3,8.138989210128784 13250,3947,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6597473,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Alpinia breviligulata,3945962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia breviligulata'],4,3,8.138989210128784 13251,3944,1120,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,SPNCPJHJJONRPM-YKSJTIPHSA-N,"InChI=1S/C32H50O5/c1-20(2)24-10-11-27-26(30(24,5)15-14-28(34)36-8)13-17-31(6)25(12-16-32(27,31)7)21(3)18-23(33)19-22(4)29(35)37-9/h11,21-22,24-26H,1,10,12-19H2,2-9H3/t21-,22-,24+,25-,26-,30+,31-,32+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)OC,C32H50O5,pos_2_1magnesium,514.3658246999998,SPNCPJHJJONRPM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,1,6.5 13252,3943,-1,,,,0.46395692,ISDB,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,6.855827689170837 13253,3942,-1,,,,0.40035063,ISDB,CUUFUIWPYJIJGQ-RYUDHWBXSA-N,"InChI=1S/C15H22O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,8,11-12H,4-5,7,9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)=CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H22O3,,250.156894564,CUUFUIWPYJIJGQ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,0,7.601402521133423 13254,3941,-1,,,,0.39843005,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,7.593720197677612 13255,3941,-1,,,,0.39843005,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,7.593720197677612 13256,3940,-1,,,,0.7838254,ISDB,UEAPOVJEVUNJHK-PWSUYJOCSA-N,"InChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4,6,8,10,12H,5,7H2,1-3H3/t10-,12+/m1/s1",CC1=CC[C@@H]2C(=C1)c1c(C)coc1C[C@H]2C,C15H18O,,214.135765196,UEAPOVJEVUNJHK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],3,0,6.13530158996582 13257,3939,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7295764,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.41830563545227 13258,3939,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7295764,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.41830563545227 13259,3938,1921,Terpenoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NVTNXPADRDASMP-PEXIWSMMSA-N,"InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3-/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H30O10,pos_1_1proton1acetonitrile,394.18389716,NVTNXPADRDASMP,,,,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,0,7.0 13260,3933,-1,,,,0.814613,ISDB,NOGWISBIQAZXPI-NPKSLNFFSA-N,"InChI=1S/C21H28O10/c1-8(2)20(24)9-14(22)29-12(20)10(26-5)16(3)18(11-13(28-11)21(9,16)25)7-19(15(23)27-6)17(4,30-18)31-19/h8-13,24-25H,7H2,1-6H3/t9-,10+,11+,12-,13-,16-,17-,18+,19+,20+,21-/m0/s1",COC(=O)[C@]12C[C@@]3(O[C@@]1(C)O2)[C@@H]1O[C@@H]1[C@@]1(O)[C@H]2C(=O)O[C@@H]([C@@H](OC)[C@]13C)[C@@]2(O)C(C)C,C21H28O10,,440.168247096,NOGWISBIQAZXPI,Terpenoids,Sesquiterpenoids,Picrotoxane sesquiterpenoids,Picrodendron baccatum,28714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Picrodendron'],['Picrodendron baccatum'],4,0,7.25845193862915 13261,3932,-1,,,,0.5331158,ISDB,,,,,,,QUWDXZBGZWUKTR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.132463216781616 13262,3928,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.45432502,ISDB,RNDNBGULZNCSNB-LYFQOWASSA-N,"InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30-/m1/s1",O=C1Oc2cc(O)c3c(c2[C@@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@H](O)C3,C30H22O10,,542.121296904,RNDNBGULZNCSNB,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.317300081253052 13263,3928,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.45432502,ISDB,RNDNBGULZNCSNB-LYFQOWASSA-N,"InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30-/m1/s1",O=C1Oc2cc(O)c3c(c2[C@@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@H](O)C3,C30H22O10,,542.121296904,RNDNBGULZNCSNB,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],5,3,8.317300081253052 13264,3927,-1,,,,0.7846962,ISDB,,,,,,,KLLPYPVHEZFPAN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.138784885406494 13265,3926,2937,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,pos_2_2proton,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13266,3926,2937,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,pos_2_2proton,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13267,3926,2937,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DNYDYJVMCPIMMQ-BZTLBABMSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,39H,13-16,18,20-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21,C35H50N2O4,pos_2_2proton,562.37705808,DNYDYJVMCPIMMQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13268,3924,-1,,,,0.50292134,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,0,8.011685371398926 13269,3923,-1,,,,0.63189656,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.5275862216949463 13270,3923,-1,,,,0.63189656,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.5275862216949463 13271,3922,589,Fatty acids,Pseudoalkaloids,Branched fatty acids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ammonium,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,7.5 13272,3922,589,Fatty acids,Pseudoalkaloids,Branched fatty acids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ammonium,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,3,7.5 13273,3922,589,Fatty acids,Pseudoalkaloids,Branched fatty acids,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_1_1proton1ethylamine,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,7.5 13274,3919,844,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1isopropanol,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sequoiadendron giganteum,810380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Sequoiadendron'],['Sequoiadendron giganteum'],7,0,7.0 13275,3916,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 13276,3916,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 13277,3914,-1,,,,0.45222878,ISDB,GCQBBQFHAVKHMN-JOYOIKCWSA-N,"InChI=1S/C12H16O/c1-9-4-3-5-10-8-11(13)6-7-12(9,10)2/h6-9H,3-5H2,1-2H3/t9-,12+/m0/s1",C[C@H]1CCCC2=CC(=O)C=C[C@@]21C,C12H16O,,176.120115132,GCQBBQFHAVKHMN,Terpenoids,Sesquiterpenoids,Noreremophilane sesquiterpenoids,Senecio humillimus,903355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio humillimus'],3,0,4.808915138244629 13278,3913,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.73836756,ISDB,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.453470230102539 13279,3912,2083,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.37626258,ISDB,IDOHCEDWHOEHNL-ZUDQDPCPSA-N,"InChI=1S/C27H48N2O/c1-17(29(7)8)22-18(30)15-25(5)20-10-9-19-23(2,3)21(28-6)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28,30H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C27H48N2O,,416.376664156,IDOHCEDWHOEHNL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.005050301551819 13280,3911,721,,,,0.20313352,ISDB,,,,,,,QSSXEEVDSYRODG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8125340938568115 13281,3909,3510,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_2MHNH3,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 13282,3906,2488,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.6627303,ISDB,KUWZXOMQXYWKBS-NSCUHMNNSA-N,"InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+",COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1,C15H14O3,,242.094294308,KUWZXOMQXYWKBS,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,10.150921106338501 13283,3905,-1,,,,0.43597972,ISDB,VVFUESRNOVONAM-KOGRRYKMSA-N,"InChI=1S/C20H28O8/c1-11(22)12-5-6-14(13(9-12)7-8-20(2,3)26-4)27-19-18(25)17(24)16(23)15(10-21)28-19/h5-9,15-19,21,23-25H,10H2,1-4H3/b8-7+/t15-,16-,17+,18-,19-/m1/s1",COC(C)(C)/C=C/c1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C20H28O8,,396.1784178559999,VVFUESRNOVONAM,Polyketides,,,Helianthella quinquenervis,464955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthella'],['Helianthella quinquenervis'],3,0,4.7439188957214355 13284,3900,1539,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSLVJFBJCIYHLK-UHFFFAOYSA-N,"InChI=1S/C24H24O13/c1-9(25)34-8-16-18(29)20(31)21(32)24(36-16)37-23-19(30)17-13(28)6-11(26)7-15(17)35-22(23)10-3-4-12(27)14(5-10)33-2/h3-7,16,18,20-21,24,26-29,31-32H,8H2,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(C)=O)C(O)C(O)C2O)ccc1O,C24H24O13,pos_1_1proton,520.121690828,DSLVJFBJCIYHLK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 13285,3900,1539,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSLVJFBJCIYHLK-UHFFFAOYSA-N,"InChI=1S/C24H24O13/c1-9(25)34-8-16-18(29)20(31)21(32)24(36-16)37-23-19(30)17-13(28)6-11(26)7-15(17)35-22(23)10-3-4-12(27)14(5-10)33-2/h3-7,16,18,20-21,24,26-29,31-32H,8H2,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(C)=O)C(O)C(O)C2O)ccc1O,C24H24O13,pos_1_1proton,520.121690828,DSLVJFBJCIYHLK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 13286,3899,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSLVJFBJCIYHLK-UHFFFAOYSA-N,"InChI=1S/C24H24O13/c1-9(25)34-8-16-18(29)20(31)21(32)24(36-16)37-23-19(30)17-13(28)6-11(26)7-15(17)35-22(23)10-3-4-12(27)14(5-10)33-2/h3-7,16,18,20-21,24,26-29,31-32H,8H2,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(C)=O)C(O)C(O)C2O)ccc1O,C24H24O13,pos_1_1sodium,520.121690828,DSLVJFBJCIYHLK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 13287,3899,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DSLVJFBJCIYHLK-UHFFFAOYSA-N,"InChI=1S/C24H24O13/c1-9(25)34-8-16-18(29)20(31)21(32)24(36-16)37-23-19(30)17-13(28)6-11(26)7-15(17)35-22(23)10-3-4-12(27)14(5-10)33-2/h3-7,16,18,20-21,24,26-29,31-32H,8H2,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(C)=O)C(O)C(O)C2O)ccc1O,C24H24O13,pos_1_1sodium,520.121690828,DSLVJFBJCIYHLK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 13288,3895,-1,,,,0.0,MS1_match,SCZVLDHREVKTSH-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C16H12O6,pos_1_1proton,300.063388104,SCZVLDHREVKTSH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 13289,3895,-1,,,,0.0,MS1_match,NHMKZNNXBMLIHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-7-10(18)6-11-12(13(7)19)14(20)15(21)16(22-11)8-2-4-9(17)5-3-8/h2-6,17-19,21H,1H3",Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O,C16H12O6,pos_1_1proton,300.063388104,NHMKZNNXBMLIHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,0,6.0 13290,3892,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HBOMRMZGLXFXCE-UIJYHZMPSA-N,"InChI=1S/C25H26O14/c1-8(26)20-16(30)18(32)24(37-20)35-11-6-12(28)14-13(7-11)36-21(9-2-4-10(27)5-3-9)22(15(14)29)38-25-19(33)17(31)23(34)39-25/h2-8,16-20,23-28,30-34H,1H3/t8-,16+,17-,18-,19-,20-,23+,24-,25-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C25H26O14,pos_1_1sodium,550.132255512,HBOMRMZGLXFXCE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,9.5 13291,3891,1539,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9286357,ISDB,IOLRVMUSXRTPCM-LRNMXWLESA-N,"InChI=1S/C25H26O14/c1-9(26)36-8-16-19(30)21(32)22(33)25(38-16)39-24-20(31)17-12(28)6-11(27)7-13(17)37-23(24)10-4-14(34-2)18(29)15(5-10)35-3/h4-7,16,19,21-22,25,27-30,32-33H,8H2,1-3H3/t16-,19-,21+,22-,25+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C25H26O14,,550.132255512,IOLRVMUSXRTPCM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,10.214542865753174 13292,3890,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7148098,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.359239101409912 13293,3890,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7148098,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,3,9.359239101409912 13294,3890,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7148098,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus brutia,1061362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,9.359239101409912 13295,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_1_1proton,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 13296,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_1_1proton,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 13297,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_1_1proton,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 13298,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,KEIZXGINFPDITQ-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,pos_1_1proton,624.1690349439999,KEIZXGINFPDITQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 13299,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 13300,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 13301,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 13302,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 13303,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 13304,3889,1048,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 13305,3888,2258,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LKXBGSZMRNJAST-LDZBLPKXSA-N,"InChI=1S/C22H22O12/c1-31-21-17(28)15-12(26)5-9(32-22-19(30)18(29)16(27)14(7-23)34-22)6-13(15)33-20(21)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22-/m1/s1",COc1c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O,C22H22O12,pos_1_1proton,478.1111261439998,LKXBGSZMRNJAST,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 13306,3888,2258,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LKXBGSZMRNJAST-LDZBLPKXSA-N,"InChI=1S/C22H22O12/c1-31-21-17(28)15-12(26)5-9(32-22-19(30)18(29)16(27)14(7-23)34-22)6-13(15)33-20(21)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22-/m1/s1",COc1c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O,C22H22O12,pos_1_1proton,478.1111261439998,LKXBGSZMRNJAST,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 13307,3888,2258,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LKXBGSZMRNJAST-LDZBLPKXSA-N,"InChI=1S/C22H22O12/c1-31-21-17(28)15-12(26)5-9(32-22-19(30)18(29)16(27)14(7-23)34-22)6-13(15)33-20(21)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22-/m1/s1",COc1c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O,C22H22O12,pos_1_1proton,478.1111261439998,LKXBGSZMRNJAST,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 13308,3888,2258,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SCNKDAJBBGDFOB-FDNTWFBCSA-N,"InChI=1S/C22H22O12/c1-7-15(26)18(29)19(30)22(32-7)34-21-17(28)14-10(23)5-9(31-2)6-13(14)33-20(21)8-3-11(24)16(27)12(25)4-8/h3-7,15,18-19,22-27,29-30H,1-2H3/t7-,15-,18+,19+,22-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,SCNKDAJBBGDFOB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 13309,3888,2258,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SCNKDAJBBGDFOB-FDNTWFBCSA-N,"InChI=1S/C22H22O12/c1-7-15(26)18(29)19(30)22(32-7)34-21-17(28)14-10(23)5-9(31-2)6-13(14)33-20(21)8-3-11(24)16(27)12(25)4-8/h3-7,15,18-19,22-27,29-30H,1-2H3/t7-,15-,18+,19+,22-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,SCNKDAJBBGDFOB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sageretia thea,979286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Sageretia'],['Sageretia thea'],7,3,8.5 13310,3887,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13311,3887,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13312,3887,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13313,3887,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13314,3886,-1,,,,0.6492287,ISDB,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.596914768218994 13315,3885,-1,,,,0.74418896,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus neoniveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,3.9767558574676514 13316,3885,-1,,,,0.74418896,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus niveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,0,3.9767558574676514 13317,3884,-1,,,,0.0,MS1_match,DWTPZWHXVUGASY-UHFFFAOYSA-N,"InChI=1S/C30H42O6/c1-17-14-30(15-18(2)26(32)36-30)34-23-16-28(5)10-7-8-21-20-12-19(9-11-29(28,6)25(17)23)33-22(20)13-24(31)35-27(21,3)4/h12-13,17-19,21,23,25H,7-11,14-16H2,1-6H3",CC1CC2(CC(C)C3C(CC4(C)CCCC5C6=CC(CCC34C)OC6=CC(=O)OC5(C)C)O2)OC1=O,C30H42O6,pos_3_3proton,498.298139064,DWTPZWHXVUGASY,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 13318,3884,-1,,,,0.0,MS1_match,HEIKHXMGSYQVGA-NSISKUIASA-N,"InChI=1S/C20H28O4/c1-18(2,24)14-10-12-6-7-16-19(3,13(12)11-15(14)21)8-5-9-20(16,4)17(22)23/h10-11,16,21,24H,5-9H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1",CC(C)(O)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O4,pos_2_2proton,332.198759376,HEIKHXMGSYQVGA,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 13319,3884,-1,,,,0.0,MS1_match,QOCOQHXHEBGZNB-VOBQZIQPSA-N,"InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,15(12)17(22)16(13)21)8-5-9-20(14,4)18(23)24/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,19+,20-/m1/s1",CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,C20H28O4,pos_2_2proton,332.198759376,QOCOQHXHEBGZNB,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 13320,3883,2420,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DCONXLQPDFRUCW-UHFFFAOYSA-N,"InChI=1S/C26H39NO2/c1-17(28)20-11-13-26(4)22-8-7-21-18(14-19(22)10-12-25(20,26)3)6-9-23-24(21,2)15-29-16-27(23)5/h10,14,20-23H,6-9,11-13,15-16H2,1-5H3",CC(=O)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC1N(C)COCC41C,C26H39NO2,pos_1_1proton1ammonium,397.298079488,DCONXLQPDFRUCW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13321,3883,2420,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LQEYGBHACPWUTB-UBKPWBPPSA-N,"InChI=1S/C26H39NO2/c1-6-17-18(28)13-24(4)20-8-7-19-22(2)15-29-16-27(5)21(22)9-10-25(19)14-26(20,25)12-11-23(17,24)3/h6,19-21H,7-16H2,1-5H3/b17-6+",C/C=C1\C(=O)CC2(C)C3CCC4C5(C)COCN(C)C5CCC45CC35CCC12C,C26H39NO2,pos_1_1proton1ammonium,397.298079488,LQEYGBHACPWUTB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13322,3883,2420,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RLOTYRQBXLCZBX-UHFFFAOYSA-N,"InChI=1S/C26H39NO2/c1-16(28)19-10-12-26(5)21-8-7-20-18(13-17(21)9-11-25(19,26)4)14-22-23(24(20,2)3)27(6)15-29-22/h9,13,19-23H,7-8,10-12,14-15H2,1-6H3",CC(=O)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CC1OCN(C)C1C4(C)C,C26H39NO2,pos_1_1proton1ammonium,397.298079488,RLOTYRQBXLCZBX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13323,3882,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PAYBPGDQZXJNMH-MYKLHEQQSA-N,"InChI=1S/C34H48N2O3/c1-21(35-7)30-28(39-22(2)37)20-34(6)27-15-14-26-24(19-25(27)17-18-33(30,34)5)13-16-29(32(26,3)4)36-31(38)23-11-9-8-10-12-23/h8-12,17,19,21,26-30,35H,13-16,18,20H2,1-7H3,(H,36,38)/t21-,26+,27+,28+,29-,30-,33+,34-/m0/s1",CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C34H48N2O3,pos_1_1proton1isopropanol,532.366493396,PAYBPGDQZXJNMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,8.5 13324,3881,1554,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.0,MS1_match,YTVHPUYAJHHDPL-UHFFFAOYSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-13,17,21,25-29,36H,14-16,18-20H2,1-7H3,(H,34,37)",CC(C1C(O)CC2(C)C3CCC4C(=CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C,C33H48N2O2,pos_2_2proton,504.371578776,YTVHPUYAJHHDPL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13325,3881,1554,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.0,MS1_match,IKAVOWKFORLLFA-FVCHHMPOSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)23-15-17-30(4)25-14-13-24-29(2,3)26(34-28(37)22-11-9-8-10-12-22)16-18-32(24)20-33(25,32)27(36)19-31(23,30)5/h8-12,21,23-26H,13-20H2,1-7H3,(H,34,37)/t21-,23+,24-,25-,26-,30-,31+,32+,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O2,pos_2_2proton,504.371578776,IKAVOWKFORLLFA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13326,3881,1554,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.0,MS1_match,WZFBYWXOERTQBK-ITPVSCTESA-N,"InChI=1S/C33H48N2O2/c1-21(34-30(37)22-11-9-8-10-12-22)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(35(6)7)31(25,2)3/h8-12,17,19,21,25-29,36H,13-16,18,20H2,1-7H3,(H,34,37)/t21-,25-,26+,27+,28-,29-,32+,33-/m0/s1",C[C@H](NC(=O)c1ccccc1)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C33H48N2O2,pos_2_2proton,504.371578776,WZFBYWXOERTQBK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13327,3881,1554,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.0,MS1_match,BBFKBCLCNWMEAC-YWVLQBNOSA-N,"InChI=1S/C33H48N2O2/c1-21(35(6)7)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(31(25,2)3)34-30(37)22-11-9-8-10-12-22/h8-12,17,19,21,25-29,36H,13-16,18,20H2,1-7H3,(H,34,37)/t21-,25+,26+,27+,28-,29-,32+,33-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C)N(C)C,C33H48N2O2,pos_2_2proton,504.371578776,BBFKBCLCNWMEAC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13328,3878,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.4719771,ISDB,FKYCJVGMJYUVIJ-CORIIIEPSA-N,"InChI=1S/C16H21NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,6,8,11,13,15H,3-5,7,9-10H2,1H3/t11-,13-,15+/m0/s1",C[C@H]1CC=CC(=O)[C@@H]1C(=O)C1=CCCN2CCC[C@@H]12,C16H21NO2,,259.157228912,FKYCJVGMJYUVIJ,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Elaeocarpus grandis,259591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Elaeocarpaceae'],['Unknown'],['Elaeocarpus'],['Elaeocarpus grandis'],3,3,6.387908458709717 13329,3878,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.4719771,ISDB,FKYCJVGMJYUVIJ-CORIIIEPSA-N,"InChI=1S/C16H21NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,6,8,11,13,15H,3-5,7,9-10H2,1H3/t11-,13-,15+/m0/s1",C[C@H]1CC=CC(=O)[C@@H]1C(=O)C1=CCCN2CCC[C@@H]12,C16H21NO2,,259.157228912,FKYCJVGMJYUVIJ,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Elaeocarpus angustifolius,367704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Elaeocarpaceae'],['Unknown'],['Elaeocarpus'],['Elaeocarpus angustifolius'],3,3,6.387908458709717 13330,3877,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.22026755,ISDB,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.881070196628571 13331,3875,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus lycioides,115710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus lycioides'],7,3,8.5 13332,3875,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus pallasii,7056831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus pallasii'],7,3,8.5 13333,3875,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1proton,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 13334,3875,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1proton,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 13335,3875,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WEPBGSIAWZTEJR-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O,C16H12O7,pos_1_1proton,316.058302724,WEPBGSIAWZTEJR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus lycioides,115710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus lycioides'],7,3,8.5 13336,3875,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WEPBGSIAWZTEJR-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O,C16H12O7,pos_1_1proton,316.058302724,WEPBGSIAWZTEJR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 13337,3875,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WEPBGSIAWZTEJR-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O,C16H12O7,pos_1_1proton,316.058302724,WEPBGSIAWZTEJR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,3,8.5 13338,3873,2027,,,,0.7279674,ISDB,,,,,,,FPKFCGUTDZQBEB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.911869525909424 13339,3872,387,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,0.0,MS1_match,QKRCTKQLNFTDDO-LCEMBLBOSA-N,"InChI=1S/C30H38N4O5/c1-5-19(2)26-28(36)31-15-13-21-11-12-22(18-24(21)35)39-25-14-16-34(27(25)29(37)32-26)30(38)23(33(3)4)17-20-9-7-6-8-10-20/h6-13,15,18-19,23,25-27,35H,5,14,16-17H2,1-4H3,(H,31,36)(H,32,37)/b15-13-/t19-,23+,25+,26+,27+/m1/s1",CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](Cc2ccccc2)N(C)C)Oc2ccc(c(O)c2)/C=C\NC1=O,C30H38N4O5,pos_1_1proton1isopropanol,534.284220316,QKRCTKQLNFTDDO,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Paliurus ramosissimus,371173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Paliurus'],['Paliurus ramosissimus'],6,3,7.5 13340,3871,224,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.37113526,ISDB,YTDVTIGYQGWZSL-UHFFFAOYSA-N,"InChI=1S/C18H24N2/c1-14(2)4-5-16-10-12-20(13-11-16)18-8-6-17(7-9-18)15(3)19/h5-15H,4,19H2,1-3H3",CC(C)CC=C1C=CN(c2ccc(C(C)N)cc2)C=C1,C18H24N2,,268.193948768,YTDVTIGYQGWZSL,Alkaloids,,,Parthenium argentatum,928424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium argentatum'],4,1,5.984541058540344 13341,3870,2599,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8081448,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.732579231262207 13342,3867,-1,,,,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_2MNa,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13343,3867,-1,,,,0.0,MS1_match,AJAGLPDYKVWJQE-AREMEKFRSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m0/s1",COc1cc(OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_2MNa,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13344,3867,-1,,,,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_2MNa,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13345,3864,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4820115,ISDB,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,10.428045988082886 13346,3863,-1,,,,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1sodium,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13347,3863,-1,,,,0.0,MS1_match,AJAGLPDYKVWJQE-AREMEKFRSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m0/s1",COc1cc(OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_1_1sodium,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13348,3863,-1,,,,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1sodium,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13349,3862,1439,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,AJAGLPDYKVWJQE-AREMEKFRSA-N,"InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m0/s1",COc1cc(OC2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C22H22O10,pos_1_1proton,446.121296904,AJAGLPDYKVWJQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 13350,3861,-1,,,,0.0,MS1_match,KQMVAGISDHMXJJ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O5,pos_1_1proton,284.068473484,KQMVAGISDHMXJJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13351,3860,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,MHVYWTXXZIFXDT-UHFFFAOYSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O,C19H24O4,pos_1_1proton1ammonium,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 13352,3860,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,MHVYWTXXZIFXDT-UHFFFAOYSA-N,"InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O,C19H24O4,pos_1_1proton1ammonium,316.16745924799994,MHVYWTXXZIFXDT,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 13353,3858,-1,,,,0.4120493,ISDB,XYLPDPPGAMCDQW-FZDNWWAKSA-N,"InChI=1S/C15H22O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,14,16H,5,7,9H2,1-4H3/b13-11-/t14-/m0/s1",CC(C)=CCC/C(C)=C1/C[C@H](O)C(C)=CC1=O,C15H22O2,,234.161979944,XYLPDPPGAMCDQW,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],7,0,8.648197174072266 13354,3857,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.528689,ISDB,KYAVLJJQNUHRMR-UHFFFAOYSA-N,"InChI=1S/C40H58N8O8/c1-5-25(4)34-37(53)44-27(21-26-12-7-6-8-13-26)35(51)42-22-32(49)41-23-33(50)43-28(20-24(2)3)38(54)47-18-10-15-30(47)40(56)48-19-11-16-31(48)39(55)46-17-9-14-29(46)36(52)45-34/h6-8,12-13,24-25,27-31,34H,5,9-11,14-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)",CCC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC1=O,C40H58N8O8,,778.437760816,KYAVLJJQNUHRMR,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Stellaria palustris,198759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria palustris'],4,0,6.114756107330322 13355,3857,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.528689,ISDB,KYAVLJJQNUHRMR-PPLFBOPFSA-N,"InChI=1S/C40H58N8O8/c1-5-25(4)34-37(53)44-27(21-26-12-7-6-8-13-26)35(51)42-22-32(49)41-23-33(50)43-28(20-24(2)3)38(54)47-18-10-15-30(47)40(56)48-19-11-16-31(48)39(55)46-17-9-14-29(46)36(52)45-34/h6-8,12-13,24-25,27-31,34H,5,9-11,14-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)/t25-,27-,28-,29-,30-,31-,34-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O,C40H58N8O8,,778.437760816,KYAVLJJQNUHRMR,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],4,0,6.114756107330322 13356,3856,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_1_1proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13357,3856,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_1_1proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13358,3856,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1ethylamine,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13359,3856,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_1_1proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13360,3856,392,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_1_1proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13361,3855,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.25176406,ISDB,JCSDHTBTDXUWOM-AEZWHUNNSA-N,"InChI=1S/C41H62O12/c1-21-33(52-23(3)43)34(53-24(4)44)32(46)35(50-21)49-20-25-26-12-13-40(8)30(41(26,9)31(45)18-29(25)51-22(2)42)11-10-27-28-19-38(6,36(47)48)15-14-37(28,5)16-17-39(27,40)7/h10,21,25-26,28-35,45-46H,11-20H2,1-9H3,(H,47,48)/t21-,25-,26-,28+,29-,30-,31-,32+,33-,34-,35+,37+,38+,39+,40+,41-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)O[C@H]1C,C41H62O12,,746.4241274240001,JCSDHTBTDXUWOM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Combretum sundaicum,6119944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Combretum sundaicum'],4,0,5.00705623626709 13362,3854,2315,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1sodium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 13363,3852,1318,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,0.8518513,ISDB,KTPOZFYJWLGJGH-COMQUAJESA-N,"InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12+,13-,15+/m1/s1",CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C,C15H22O,,218.167065324,KTPOZFYJWLGJGH,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,10.907405138015747 13364,3851,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.50504076,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,9.52016305923462 13365,3850,1709,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78398937,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.635957479476929 13366,3850,1709,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78398937,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.635957479476929 13367,3849,1323,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.49440017,ISDB,JKUXEKUGDNFENI-WQXAFCNFSA-N,"InChI=1S/C19H35N5O4/c1-8-13(22-19(20)21)16(25)23-15(11(4)5)17(26)24(7)14(10(2)3)9-12(6)18(27)28/h9-11,13-15H,8H2,1-7H3,(H,23,25)(H,27,28)(H4,20,21,22)/b12-9+/t13-,14+,15-/m0/s1",CC[C@H](NC(=N)N)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)C,C19H35N5O4,,397.2689046,JKUXEKUGDNFENI,Amino acids and Peptides,Small peptides,Tripeptides,Moorea producens,659831.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Moorea producens'],0,0,1.9776006937026978 13368,3848,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ethylamine,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13369,3848,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ethylamine,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13370,3848,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AKGNQELVIPFFIJ-UHFFFAOYSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)28-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(28,6)31(40-20(3)35)30(39)27(18)32(22,4)5/h9-13,22-23,25,28-31,38-39H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C33H45NO7,pos_1_1proton,567.3196027799999,AKGNQELVIPFFIJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13371,3848,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BJUSJVLOCSEFRP-UHFFFAOYSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)27-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(27,6)31(39)30(40-20(3)35)28(18)32(22,4)5/h9-13,22-23,25,27,29-31,38-39H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C33H45NO7,pos_1_1proton,567.3196027799999,BJUSJVLOCSEFRP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13372,3848,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BXXBKJMBBMMFCK-YQPTXOFRSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)17-22-28(37)26-19(2)25(41-31(39)23(34(7)8)16-21-12-10-9-11-13-21)14-15-33(26,6)30(38)29(40-20(3)35)27(18)32(22,4)5/h9-13,22-23,25-26,28-30,37-38H,2,14-17H2,1,3-8H3/t22-,23?,25-,26-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C33H45NO7,pos_1_1proton,567.31960278,BXXBKJMBBMMFCK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13373,3846,-1,,,,0.0,MS1_match,FBDUYUDFMFZSDJ-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)17(18(13)31-12)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-23,25-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.079826016,FBDUYUDFMFZSDJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Theobroma grandiflorum,654082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma grandiflorum'],6,0,6.0 13374,3846,-1,,,,0.0,MS1_match,FBDUYUDFMFZSDJ-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)17(18(13)31-12)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-23,25-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.079826016,FBDUYUDFMFZSDJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,0,6.0 13375,3842,-1,,,,0.7043801,ISDB,,,,,,,OXOXNAAZJDPOIV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8175203800201416 13376,3839,1416,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,pos_1_1proton,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13377,3839,1416,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,pos_1_1proton,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13378,3839,1416,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DNYDYJVMCPIMMQ-BZTLBABMSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,39H,13-16,18,20-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21,C35H50N2O4,pos_1_1proton,562.37705808,DNYDYJVMCPIMMQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13379,3838,360,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.23616865,ISDB,NZXFMXDJYAHTHS-RKFPQKHCSA-N,"InChI=1S/C25H22O10/c1-33-21-6-12(2-4-16(21)27)3-5-23(31)34-22-11-15-17(28)9-14(26)10-20(15)35-25(22)13-7-18(29)24(32)19(30)8-13/h2-10,22,25-30,32H,11H2,1H3/b5-3+/t22-,25-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)ccc1O,C25H22O10,,482.1212969039999,NZXFMXDJYAHTHS,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Parapiptadenia rigida,328594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Parapiptadenia'],['Parapiptadenia rigida'],4,3,6.444674611091614 13380,3836,-1,,,,0.0,MS1_match,NMGVHLDIHNFGQB-OTCPXFHUSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1proton,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,0,7.0 13381,3836,-1,,,,0.0,MS1_match,NMGVHLDIHNFGQB-UHFFFAOYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1proton,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,0,7.0 13382,3836,-1,,,,0.0,MS1_match,NMGVHLDIHNFGQB-UHFFFAOYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1proton,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,0,7.0 13383,3835,-1,,,,0.53783035,ISDB,ISECDNAMJMNAHZ-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)11-16(21)17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)CC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,,314.188194692,ISECDNAMJMNAHZ,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,9.151321411132812 13384,3834,721,,,,0.20670517,ISDB,SFTPYNFMHUKKSK-NNPSNHGLSA-N,"InChI=1S/C23H40N8O13/c24-7-1-2-8-25-19(36)15(6-3-9-30(42)13-34)27-21(38)16(11-32)28-22(39)17(18(35)23(40)41)29-20(37)14(26-12-33)5-4-10-31(43)44/h12-18,32,35,42H,1-11,24H2,(H,25,36)(H,26,33)(H,27,38)(H,28,39)(H,29,37)(H,40,41)/t14-,15-,16-,17+,18+/m0/s1",NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC[N+](=O)[O-])NC=O)[C@@H](O)C(=O)O,C23H40N8O13,,636.27148334,SFTPYNFMHUKKSK,,,,Burkholderia mallei,202606.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Burkholderiales'],['Burkholderiaceae'],['Unknown'],['Burkholderia'],['Burkholderia mallei'],0,0,0.8268206715583801 13385,3830,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.31975752,ISDB,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,5.279030084609985 13386,3829,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.40361392,ISDB,ZKTIVYXHMCZVOI-FUZVIZNDSA-N,"InChI=1S/C40H52O4/c1-28(16-12-17-29(2)21-23-40-38(7,8)26-33(41)27-39(40,9)44-40)14-10-11-15-30(3)24-34-25-32(36(42)43-34)19-20-35-31(4)18-13-22-37(35,5)6/h10-18,21-25,33,35,41H,19-20,26-27H2,1-9H3/b11-10+,16-12+,23-21+,28-14+,29-17+,30-15+,34-24-/t33-,35-,39+,40-/m0/s1",CC1=CC=CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O,C40H52O4,,596.386560144,ZKTIVYXHMCZVOI,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Mantoniella squamata,696465.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Mamiellophyceae'],['Mamiellales'],['Mamiellaceae'],['Unknown'],['Mantoniella'],['Mantoniella squamata'],2,0,3.6144556999206543 13387,3829,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.40361392,ISDB,ZKTIVYXHMCZVOI-FUZVIZNDSA-N,"InChI=1S/C40H52O4/c1-28(16-12-17-29(2)21-23-40-38(7,8)26-33(41)27-39(40,9)44-40)14-10-11-15-30(3)24-34-25-32(36(42)43-34)19-20-35-31(4)18-13-22-37(35,5)6/h10-18,21-25,33,35,41H,19-20,26-27H2,1-9H3/b11-10+,16-12+,23-21+,28-14+,29-17+,30-15+,34-24-/t33-,35-,39+,40-/m0/s1",CC1=CC=CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O,C40H52O4,,596.386560144,ZKTIVYXHMCZVOI,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Micromonas pusilla,216381.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Mamiellophyceae'],['Mamiellales'],['Mamiellaceae'],['Unknown'],['Micromonas'],['Micromonas pusilla'],2,0,3.6144556999206543 13388,3826,-1,,,,0.41249308,ISDB,DWGKMGKTDBRQJE-AFHBHXEDSA-N,"InChI=1S/C21H22O7/c1-23-16-5-11(3-4-15(16)22)19-13-8-26-20(14(13)9-25-19)12-6-17(24-2)21-18(7-12)27-10-28-21/h3-7,13-14,19-20,22H,8-10H2,1-2H3/t13-,14-,19+,20+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c3c(c2)OCO3)ccc1O,C21H22O7,,386.136553044,DWGKMGKTDBRQJE,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Nectandra turbacensis,1081324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra turbacensis'],4,0,5.649972319602966 13389,3825,-1,,,,0.8500943,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,0,10.40037727355957 13390,3824,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NMGVHLDIHNFGQB-OTCPXFHUSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1sodium,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 13391,3824,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NMGVHLDIHNFGQB-UHFFFAOYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1sodium,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,8.5 13392,3824,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NMGVHLDIHNFGQB-UHFFFAOYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1sodium,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 13393,3823,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.22832587,ISDB,IMNKAIBGTMGZHC-XOAARHKISA-N,"InChI=1S/C29H32O7/c1-26(2)20-17-22(35-25(32)19-13-9-6-10-14-19)28(4)21(34-24(31)18-11-7-5-8-12-18)15-16-27(3,33)29(28,36-26)23(20)30/h5-14,20-22,33H,15-17H2,1-4H3/t20-,21+,22+,27+,28+,29+/m1/s1",CC1(C)O[C@]23C(=O)[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)[C@@H](OC(=O)c1ccccc1)CC[C@]3(C)O,C29H32O7,,492.214803364,IMNKAIBGTMGZHC,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Mortonia greggii,755538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Mortonia'],['Mortonia greggii'],3,0,3.91330349445343 13394,3819,2730,Alkaloids,Phenylethanoids (C6-C2),Phenylethanoids,0.26454616,ISDB,VUHCEJPYCQSKEW-PBVIGIQOSA-N,"InChI=1S/C15H23NO4/c1-9-5-10(2)15(20)12(6-9)4-3-11(7-13(16)17)8-14(18)19/h4,9-11H,3,5-8H2,1-2H3,(H2,16,17)(H,18,19)/b12-4+/t9-,10-,11-/m0/s1",C[C@@H]1C/C(=C\C[C@@H](CC(N)=O)CC(=O)O)C(=O)[C@@H](C)C1,C15H23NO4,,281.162708216,VUHCEJPYCQSKEW,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,1.5581846237182617 13395,3818,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.45970008,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,8.338800311088562 13396,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ayacahuite,786788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ayacahuite'],5,0,6.813828945159912 13397,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus balfouriana,1044480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus balfouriana'],5,0,6.813828945159912 13398,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],5,0,6.813828945159912 13399,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobiformis,262953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobiformis'],5,0,6.813828945159912 13400,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus lumholtzii,212480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lumholtzii'],5,0,6.813828945159912 13401,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus albicaulis,786785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus albicaulis'],5,0,6.813828945159912 13402,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],5,0,6.813828945159912 13403,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,6.813828945159912 13404,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus parviflora,837898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus parviflora'],5,0,6.813828945159912 13405,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],5,0,6.813828945159912 13406,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,0,6.813828945159912 13407,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],5,0,6.813828945159912 13408,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,0,6.813828945159912 13409,3817,-1,,,,0.45345724,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,6.813828945159912 13410,3816,2920,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GVPKAHHAVRQDCN-NXEZQSRVSA-N,"InChI=1S/C36H54N2O4/c1-23(37(6)7)32-30(42-24(2)40)21-36(5)29-16-15-28-26(20-27(29)18-19-35(32,36)4)14-17-31(34(28,3)22-39)38(8)33(41)25-12-10-9-11-13-25/h9-14,23,27-32,39H,15-22H2,1-8H3/t23-,27+,28+,29+,30+,31-,32-,34-,35+,36-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](N(C)C(=O)c5ccccc5)[C@@]4(C)CO)C[C@H]3CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C36H54N2O4,pos_2_2proton,578.408358208,GVPKAHHAVRQDCN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 13411,3814,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.3277835,ISDB,ZWHJUGHQRBGBPG-CHXMCPJFSA-N,"InChI=1S/C32H52N2O2/c1-11-20(2)27(35)36-22-18-30(7)24-13-12-23-28(4,5)25(34(9)10)14-15-31(23)19-32(24,31)17-16-29(30,6)26(22)21(3)33-8/h11-13,21-26,33H,14-19H2,1-10H3/b20-11+/t21-,22-,23+,24+,25+,26+,29-,30+,31-,32+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@@H](C)NC,C32H52N2O2,,496.402878904,ZWHJUGHQRBGBPG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,10.811133980751038 13412,3813,270,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,pos_2_2proton,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13413,3813,270,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,pos_2_2proton,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13414,3813,270,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OMCZFOUSFSIOAM-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C35H50N2O3,pos_2_2proton,546.38214346,OMCZFOUSFSIOAM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13415,3811,-1,,,,0.0,MS1_match,SASVNKPCTLROPQ-NRVXSKMLSA-N,"InChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21+,22+/m0/s1",COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(C)=O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,C24H24O9,pos_1_minus1proton1magnesium,456.1420323479999,SASVNKPCTLROPQ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus thurifera,340326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus thurifera'],6,0,6.0 13416,3811,-1,,,,0.0,MS1_match,SASVNKPCTLROPQ-NRVXSKMLSA-N,"InChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21+,22+/m0/s1",COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(C)=O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,C24H24O9,pos_1_minus1proton1magnesium,456.1420323479999,SASVNKPCTLROPQ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus sabina,209226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus sabina'],6,0,6.0 13417,3811,-1,,,,0.0,MS1_match,SASVNKPCTLROPQ-NRVXSKMLSA-N,"InChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21+,22+/m0/s1",COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(C)=O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,C24H24O9,pos_1_minus1proton1magnesium,456.1420323479999,SASVNKPCTLROPQ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus thurifera,340326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus thurifera'],6,0,6.0 13418,3811,-1,,,,0.0,MS1_match,SASVNKPCTLROPQ-NRVXSKMLSA-N,"InChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21+,22+/m0/s1",COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(C)=O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,C24H24O9,pos_1_minus1proton1magnesium,456.1420323479999,SASVNKPCTLROPQ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus sabina,209226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus sabina'],6,0,6.0 13419,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum kotoense,5919653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum kotoense'],6,3,7.5 13420,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum tamala,212562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tamala'],6,3,7.5 13421,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,3,7.5 13422,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 13423,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Damburneya cufodontisii,6026959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya cufodontisii'],6,3,7.5 13424,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 13425,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Litsea pedunculata,5699416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea pedunculata'],6,3,7.5 13426,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,3,7.5 13427,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,7.5 13428,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,7.5 13429,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 13430,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum insulari-montanum,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,3,7.5 13431,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum yabunikkei,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,3,7.5 13432,3810,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Litsea rubescens,339331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea rubescens'],6,3,7.5 13433,3809,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13434,3809,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13435,3809,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13436,3809,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13437,3809,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13438,3808,-1,,,,0.3338095,ISDB,ZKNHGZHOGBDPIA-UHFFFAOYSA-N,"InChI=1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)",O=C(C=Cc1ccc(O)c(O)c1)NCCCCN(CCCNC(=O)C=Cc1ccc(O)c(O)c1)C(=O)C=Cc1ccc(O)c(O)c1,C34H37N3O9,,631.252979764,ZKNHGZHOGBDPIA,Alkaloids,Ornithine alkaloids,Polyamines,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],4,0,5.335237979888916 13439,3805,399,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.43408287,ISDB,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.236331462860107 13440,3803,-1,,,,0.87722576,ISDB,BEPOTAUCBSWOPK-KHYDEXNFSA-N,"InChI=1S/C23H22O12/c1-2-32-22(31)21-19(29)18(28)20(30)23(35-21)33-10-6-13(26)17-14(27)8-15(34-16(17)7-10)9-3-4-11(24)12(25)5-9/h3-8,18-21,23-26,28-30H,2H2,1H3/t18-,19-,20+,21-,23+/m0/s1",CCOC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,,490.1111261439999,BEPOTAUCBSWOPK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Dracocephalum tanguticum,5801219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Dracocephalum'],['Dracocephalum tanguticum'],3,0,6.5089030265808105 13441,3802,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.22993368,ISDB,,,,,,,UNMUVDPKZYIUPB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9197347164154053 13442,3801,2005,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HIEGBZPNSCMIJU-IHXOVPCESA-N,"InChI=1S/C36H56N2O5/c1-22(37(5)6)24-12-14-34(4)28-11-10-27-32(2,21-39)29(13-15-35(27)20-36(28,35)17-16-33(24,34)3)38(7)31(41)23-18-25(42-8)30(40)26(19-23)43-9/h18-19,22,24,27-29,39-40H,10-17,20-21H2,1-9H3/t22-,24+,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1",COc1cc(C(=O)N(C)[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C36H56N2O5,pos_2_2proton,596.418922892,HIEGBZPNSCMIJU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 13443,3797,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.7986351,ISDB,,,,,,,CWMGUIJYDGBJPZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.194540500640869 13444,3796,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MWRHXXJGCFEZJP-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-14,18,22,27-31H,15-17,19-21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H50N2O3,pos_1_1proton1methanol,546.38214346,MWRHXXJGCFEZJP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13445,3796,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CENKOCMUALZZQV-DWKOSBPRSA-N,"InChI=1S/C35H50N2O3/c1-22(36-32(39)24-12-10-9-11-13-24)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(37(7)8)33(27,3)4/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27-,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C,C35H50N2O3,pos_1_1proton1methanol,546.38214346,CENKOCMUALZZQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13446,3796,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OMCZFOUSFSIOAM-JMVPJNHPSA-N,"InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)CC[C@H](NC(=O)c1ccccc1)C4(C)C,C35H50N2O3,pos_1_1proton1methanol,546.38214346,OMCZFOUSFSIOAM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13447,3795,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZWHJUGHQRBGBPG-CHXMCPJFSA-N,"InChI=1S/C32H52N2O2/c1-11-20(2)27(35)36-22-18-30(7)24-13-12-23-28(4,5)25(34(9)10)14-15-31(23)19-32(24,31)17-16-29(30,6)26(22)21(3)33-8/h11-13,21-26,33H,14-19H2,1-10H3/b20-11+/t21-,22-,23+,24+,25+,26+,29-,30+,31-,32+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@@H](C)NC,C32H52N2O2,pos_2_2proton,496.402878904,ZWHJUGHQRBGBPG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13448,3794,-1,,,,0.6691925,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.676769971847534 13449,3794,-1,,,,0.6691925,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.676769971847534 13450,3792,1960,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,3,8.5 13451,3791,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.67268324,ISDB,OUFXWKJGMNDBNH-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(21)19(23-3)12-16(14)17(20)10-13-4-6-15(22-2)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3",COc1ccc(CC2c3cc(OC)c(O)cc3CCN2C)cc1,C19H23NO3,,313.167793596,OUFXWKJGMNDBNH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,3,10.190732955932617 13452,3784,638,Polyketides,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,XQDNFAMOIPNVES-UHFFFAOYSA-N,"InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3",COc1cc(O)cc(OC)c1,C8H10O3,pos_1_1proton,154.06299418,XQDNFAMOIPNVES,Polyketides,Phloroglucinols,Acyl phloroglucinols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13453,3782,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,1,6.5 13454,3782,2844,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,1,6.5 13455,3781,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],7,0,7.0 13456,3780,-1,,,,0.0,MS1_match,LSEDQFLRUJOXDX-SBOHWPTNSA-N,"InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1",OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C25H34O10,pos_1_1sodium,494.2151972879999,LSEDQFLRUJOXDX,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 13457,3780,-1,,,,0.0,MS1_match,LSEDQFLRUJOXDX-SBOHWPTNSA-N,"InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1",OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C25H34O10,pos_1_1sodium,494.2151972879999,LSEDQFLRUJOXDX,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 13458,3780,-1,,,,0.0,MS1_match,LSEDQFLRUJOXDX-SBOHWPTNSA-N,"InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1",OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C25H34O10,pos_1_1sodium,494.2151972879999,LSEDQFLRUJOXDX,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 13459,3780,-1,,,,0.0,MS1_match,LSEDQFLRUJOXDX-SBOHWPTNSA-N,"InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1",OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C25H34O10,pos_1_1sodium,494.2151972879999,LSEDQFLRUJOXDX,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13460,3779,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LSEDQFLRUJOXDX-SBOHWPTNSA-N,"InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1",OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C25H34O10,pos_1_1proton1ammonium,494.2151972879999,LSEDQFLRUJOXDX,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 13461,3779,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LSEDQFLRUJOXDX-SBOHWPTNSA-N,"InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1",OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C25H34O10,pos_1_1proton1ammonium,494.2151972879999,LSEDQFLRUJOXDX,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 13462,3779,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LSEDQFLRUJOXDX-SBOHWPTNSA-N,"InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1",OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C25H34O10,pos_1_1proton1ammonium,494.2151972879999,LSEDQFLRUJOXDX,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 13463,3779,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LSEDQFLRUJOXDX-SBOHWPTNSA-N,"InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2/t16-,21-,22-,23+,24-,25-/m1/s1",OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C25H34O10,pos_1_1proton1ammonium,494.2151972879999,LSEDQFLRUJOXDX,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13464,3778,-1,,,,0.3700965,ISDB,LCZDRNJWCTYBNI-APWZRJJASA-N,"InChI=1S/C19H22O4/c20-15-8-4-13(5-9-15)6-10-16-2-1-3-19(23-16)14-7-11-17(21)18(22)12-14/h4-5,7-9,11-12,16,19-22H,1-3,6,10H2/t16-,19+/m1/s1",Oc1ccc(CC[C@H]2CCC[C@@H](c3ccc(O)c(O)c3)O2)cc1,C19H22O4,,314.151809184,LCZDRNJWCTYBNI,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus nepalensis,639089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus nepalensis'],7,0,8.480386018753052 13465,3777,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ethylamine,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 13466,3777,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ethylamine,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 13467,3776,-1,,,,0.6356739,ISDB,LYDCGGUVPCALHC-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-5,7,9,14H,6,8H2,1-2H3",CC1(C)C=Cc2cc(CCO)ccc2O1,C13H16O2,,204.115029752,LYDCGGUVPCALHC,Polyketides,Meroterpenoids,,Paramignya griffithii,6126518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Paramignya'],['Paramignya griffithii'],4,0,6.54269552230835 13468,3776,-1,,,,0.6356739,ISDB,LYDCGGUVPCALHC-UHFFFAOYSA-N,"InChI=1S/C13H16O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-5,7,9,14H,6,8H2,1-2H3",CC1(C)C=Cc2cc(CCO)ccc2O1,C13H16O2,,204.115029752,LYDCGGUVPCALHC,Polyketides,Meroterpenoids,,Paramignya scandens,789049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Paramignya'],['Paramignya scandens'],4,0,6.54269552230835 13469,3775,-1,,,,0.38686705,ISDB,HWYJSJWNOAJXLT-UHFFFAOYSA-N,"InChI=1S/C13H14O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,4,8-9H2",c1ccc(CCCc2ccco2)cc1,C13H14O,,186.104465068,HWYJSJWNOAJXLT,Polyketides,Cyclic polyketides,Furans,Ruta graveolens,596623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ruta'],['Ruta graveolens'],4,0,5.547468185424805 13470,3774,1203,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IWMQBRQITMMJFZ-UHFFFAOYSA-N,"InChI=1S/C20H20O4/c1-24-20-10-6-13-5-8-15(21)3-2-4-18(22)14-7-9-19(23)16(12-14)17(20)11-13/h6-7,9-12,23H,2-5,8H2,1H3",COc1ccc2cc1-c1cc(ccc1O)C(=O)CCCC(=O)CC2,C20H20O4,pos_2_2proton,324.13615912,IWMQBRQITMMJFZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,1,6.5 13471,3774,1203,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IWMQBRQITMMJFZ-UHFFFAOYSA-N,"InChI=1S/C20H20O4/c1-24-20-10-6-13-5-8-15(21)3-2-4-18(22)14-7-9-19(23)16(12-14)17(20)11-13/h6-7,9-12,23H,2-5,8H2,1H3",COc1ccc2cc1-c1cc(ccc1O)C(=O)CCCC(=O)CC2,C20H20O4,pos_2_2proton,324.13615912,IWMQBRQITMMJFZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,1,6.5 13472,3774,1203,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZEZGBCQEBHRYPA-JGSLLADXSA-N,"InChI=1S/C20H20O4/c1-23-20-18(22)12-15-4-2-3-5-16(21)9-6-14-7-10-17(11-8-14)24-19(20)13-15/h2-5,7-8,10-13,16,21-22H,6,9H2,1H3/b4-2-,5-3+/t16-/m0/s1",COc1c(O)cc2cc1Oc1ccc(cc1)CC[C@@H](O)/C=C/C=C\2,C20H20O4,pos_2_2proton,324.13615912,ZEZGBCQEBHRYPA,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,1,6.5 13473,3772,-1,,,,0.43608338,ISDB,PBWFBFJNCUAIQQ-UHFFFAOYSA-N,"InChI=1S/C25H39NO3/c1-20(27)14-10-7-5-3-4-6-8-13-17-23-18-19-24(21(2)26-23)29-25(28)22-15-11-9-12-16-22/h9,11-12,15-16,21,23-24,26H,3-8,10,13-14,17-19H2,1-2H3",CC(=O)CCCCCCCCCCC1CCC(OC(=O)c2ccccc2)C(C)N1,C25H39NO3,,401.292994108,PBWFBFJNCUAIQQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],4,0,5.744333505630493 13474,3771,1323,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.55498886,ISDB,,,,,,,JFGPNOXTEWMCEU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2199554443359375 13475,3770,-1,,,,0.4352675,ISDB,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,7.741070032119751 13476,3769,-1,,,,0.81985176,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.279407024383545 13477,3768,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3893069,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,7.057227611541748 13478,3768,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3893069,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,7.057227611541748 13479,3768,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3893069,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,7.057227611541748 13480,3768,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3893069,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,7.057227611541748 13481,3768,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3893069,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,7.057227611541748 13482,3768,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3893069,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,7.057227611541748 13483,3767,1731,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FTHZYAMPYHOOTQ-RZLDTGGBSA-N,"InChI=1S/C33H50N2O3/c1-21(35(5)6)27-23(37)18-31(4)25-13-12-24-29(2,20-36)26(34-28(38)22-10-8-7-9-11-22)14-15-32(24)19-33(25,32)17-16-30(27,31)3/h7-11,21,23-27,36-37H,12-20H2,1-6H3,(H,34,38)/t21-,23+,24-,25-,26-,27-,29+,30+,31-,32+,33-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C33H50N2O3,pos_1_1proton,522.38214346,FTHZYAMPYHOOTQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13484,3766,-1,,,,0.31929472,ISDB,SXPZSMMJUUHTBE-MTCIRRIFSA-N,"InChI=1S/C30H45NO2/c1-19(2)22-12-14-29(7)24(27(22,5)13-8-18-31)10-9-23-25-21(4)20(3)11-15-30(25,26(32)33)17-16-28(23,29)6/h9,20-22,24-25H,1,8,10-17H2,2-7H3,(H,32,33)/t20-,21+,22+,24-,25+,27+,28-,29-,30+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)O)CC[C@]32C)[C@@]1(C)CCC#N,C30H45NO2,,451.34502968,SXPZSMMJUUHTBE,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Ilex paraguariensis,589430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex paraguariensis'],4,0,5.277178883552551 13485,3765,486,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,pos_1_1proton,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13486,3765,486,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,pos_1_1proton1methanol,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13487,3764,224,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FTHZYAMPYHOOTQ-RZLDTGGBSA-N,"InChI=1S/C33H50N2O3/c1-21(35(5)6)27-23(37)18-31(4)25-13-12-24-29(2,20-36)26(34-28(38)22-10-8-7-9-11-22)14-15-32(24)19-33(25,32)17-16-30(27,31)3/h7-11,21,23-27,36-37H,12-20H2,1-6H3,(H,34,38)/t21-,23+,24-,25-,26-,27-,29+,30+,31-,32+,33-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C33H50N2O3,pos_2_2proton,522.38214346,FTHZYAMPYHOOTQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13488,3763,-1,,,,0.50143313,ISDB,,,,,,,VBGJQOIQMQDGJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.005732536315918 13489,3762,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.79236007,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,13.669440269470215 13490,3762,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.79236007,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,13.669440269470215 13491,3761,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.3512319,ISDB,OTLZRRUHHNDQIU-VYSNIOHCSA-N,"InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24-,27+,28+,29-/m0/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C29H32O17,,652.163949564,OTLZRRUHHNDQIU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,10.904927611351013 13492,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XAEXDDRZTSBTMR-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-22(35)25(41-20(33)9-6-16-4-7-17(32)8-5-16)27(42-19,12-38-14(2)30)43-26-24(39-15(3)31)23(36)21(34)18(10-28)40-26/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,XAEXDDRZTSBTMR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13493,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13494,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13495,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OYHUIOMLUYPLSY-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-10-18-21(34)23(36)24(39-15(3)31)26(40-18)43-27(12-28)25(22(35)19(42-27)11-38-14(2)30)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,OYHUIOMLUYPLSY,Terpenoids,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13496,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 13497,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13498,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13499,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13500,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13501,3760,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13502,3754,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.8949043,ISDB,LSXMHNJGHRDFGB-MUGBGTHKSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,10-12,16H,4-5H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1",CC1=C[C@@H](O)[C@@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13,C15H18O4,,262.120509056,LSXMHNJGHRDFGB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Meeboldia yunnanensis,417161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Meeboldia'],['Meeboldia yunnanensis'],3,3,8.079617261886597 13503,3753,-1,,,,0.38528782,ISDB,YKGRPAXRFUOTAY-LLVKDONJSA-N,"InChI=1S/C15H16O3/c1-9-6-14(18-8-9)15(17)11(3)12-5-4-10(2)13(16)7-12/h4-8,11,16H,1-3H3/t11-/m1/s1",Cc1coc(C(=O)[C@H](C)c2ccc(C)c(O)c2)c1,C15H16O3,,244.109944372,YKGRPAXRFUOTAY,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,7.541151285171509 13504,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus aristata,786782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus aristata'],5,0,7.514386177062988 13505,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],5,0,7.514386177062988 13506,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus canariensis,97777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus canariensis'],5,0,7.514386177062988 13507,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],5,0,7.514386177062988 13508,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,7.514386177062988 13509,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus caribaea,4333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus caribaea'],5,0,7.514386177062988 13510,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],5,0,7.514386177062988 13511,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus lumholtzii,212480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lumholtzii'],5,0,7.514386177062988 13512,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus muricata,636909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus muricata'],5,0,7.514386177062988 13513,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus leiophylla,212477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus leiophylla'],5,0,7.514386177062988 13514,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],5,0,7.514386177062988 13515,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus coulteri,1075721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus coulteri'],5,0,7.514386177062988 13516,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus rigida,636907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus rigida'],5,0,7.514386177062988 13517,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],5,0,7.514386177062988 13518,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],5,0,7.514386177062988 13519,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],5,0,7.514386177062988 13520,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,0,7.514386177062988 13521,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus densata,227575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densata'],5,0,7.514386177062988 13522,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],5,0,7.514386177062988 13523,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,0,7.514386177062988 13524,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,0,7.514386177062988 13525,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],5,0,7.514386177062988 13526,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus echinata,212461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus echinata'],5,0,7.514386177062988 13527,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montezumae,837875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus montezumae'],5,0,7.514386177062988 13528,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus balfouriana,1044480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus balfouriana'],5,0,7.514386177062988 13529,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,7.514386177062988 13530,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,0,7.514386177062988 13531,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],5,0,7.514386177062988 13532,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],5,0,7.514386177062988 13533,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus virginiana,263433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus virginiana'],5,0,7.514386177062988 13534,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus clausa,217118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus clausa'],5,0,7.514386177062988 13535,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinaceae,994067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Unknown'],['Unknown'],5,0,7.514386177062988 13536,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus krempfii,568623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus krempfii'],5,0,7.514386177062988 13537,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,0,7.514386177062988 13538,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pungens,636901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pungens'],5,0,7.514386177062988 13539,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montana,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,7.514386177062988 13540,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,7.514386177062988 13541,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],5,0,7.514386177062988 13542,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,7.514386177062988 13543,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus contorta var. latifolia,5233692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,7.514386177062988 13544,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],5,0,7.514386177062988 13545,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus attenuata,786792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus attenuata'],5,0,7.514386177062988 13546,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus glabra,104516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus glabra'],5,0,7.514386177062988 13547,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobiformis,262953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobiformis'],5,0,7.514386177062988 13548,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ayacahuite,786788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ayacahuite'],5,0,7.514386177062988 13549,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus occidentalis,635127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus occidentalis'],5,0,7.514386177062988 13550,3752,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62859654,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,0,7.514386177062988 13551,3751,3130,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7080575,ISDB,ZZVZGSYEPXXGHA-UHFFFAOYSA-N,"InChI=1S/C14H14O/c1-9-4-6-12(11(3)15)8-14-10(2)5-7-13(9)14/h4-8H,1-3H3",CC(=O)c1ccc(C)c2ccc(C)c-2c1,C14H14O,,198.104465068,ZZVZGSYEPXXGHA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],3,3,7.332230091094971 13552,3750,-1,,,,0.49507257,ISDB,CAYMSCGTKZIVTN-TYILLQQXSA-N,"InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14+,19+/m1/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@H]23)ccc1O,C20H20O6,,356.1259883599999,CAYMSCGTKZIVTN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],5,0,6.9802902936935425 13553,3750,-1,,,,0.49507257,ISDB,CAYMSCGTKZIVTN-TYILLQQXSA-N,"InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14+,19+/m1/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@H]23)ccc1O,C20H20O6,,356.1259883599999,CAYMSCGTKZIVTN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],5,0,6.9802902936935425 13554,3750,-1,,,,0.49507257,ISDB,CAYMSCGTKZIVTN-TYILLQQXSA-N,"InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14+,19+/m1/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@H]23)ccc1O,C20H20O6,,356.1259883599999,CAYMSCGTKZIVTN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Tsuga heterophylla,1095217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga heterophylla'],5,0,6.9802902936935425 13555,3750,-1,,,,0.49507257,ISDB,CAYMSCGTKZIVTN-TYILLQQXSA-N,"InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14+,19+/m1/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@H]23)ccc1O,C20H20O6,,356.1259883599999,CAYMSCGTKZIVTN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Tsuga chinensis,608487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga chinensis'],5,0,6.9802902936935425 13556,3750,-1,,,,0.49507257,ISDB,CAYMSCGTKZIVTN-TYILLQQXSA-N,"InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14+,19+/m1/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@H]23)ccc1O,C20H20O6,,356.1259883599999,CAYMSCGTKZIVTN,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],5,0,6.9802902936935425 13557,3749,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ethylamine,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13558,3749,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ethylamine,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13559,3749,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AKGNQELVIPFFIJ-UHFFFAOYSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)28-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(28,6)31(40-20(3)35)30(39)27(18)32(22,4)5/h9-13,22-23,25,28-31,38-39H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C33H45NO7,pos_1_1proton,567.3196027799999,AKGNQELVIPFFIJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13560,3749,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BJUSJVLOCSEFRP-UHFFFAOYSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)16-22-29(38)27-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(27,6)31(39)30(40-20(3)35)28(18)32(22,4)5/h9-13,22-23,25,27,29-31,38-39H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C33H45NO7,pos_1_1proton,567.3196027799999,BJUSJVLOCSEFRP,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13561,3749,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BXXBKJMBBMMFCK-YQPTXOFRSA-N,"InChI=1S/C33H45NO7/c1-18-24(36)17-22-28(37)26-19(2)25(41-31(39)23(34(7)8)16-21-12-10-9-11-13-21)14-15-33(26,6)30(38)29(40-20(3)35)27(18)32(22,4)5/h9-13,22-23,25-26,28-30,37-38H,2,14-17H2,1,3-8H3/t22-,23?,25-,26-,28+,29+,30-,33+/m0/s1",C=C1[C@@H](OC(=O)C(Cc2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C,C33H45NO7,pos_1_1proton,567.31960278,BXXBKJMBBMMFCK,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13562,3748,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OTLZRRUHHNDQIU-VYSNIOHCSA-N,"InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24-,27+,28+,29-/m0/s1",CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C29H32O17,pos_1_1sodium,652.163949564,OTLZRRUHHNDQIU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 13563,3746,1046,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GEAWMJGSGZLRQM-IADDMXJJSA-N,"InChI=1S/C25H31NO9/c1-2-12-15-8-16-14-9-18(29)17(28)7-11(14)5-6-26(16)24(33)13(15)3-4-19(12)34-25-23(32)22(31)21(30)20(10-27)35-25/h2-3,7,9,12,15-16,19-23,25,27-32H,1,4-6,8,10H2/t12-,15+,16-,19-,20-,21-,22+,23-,25-/m1/s1",C=C[C@@H]1[C@@H]2C[C@@H]3c4cc(O)c(O)cc4CCN3C(=O)C2=CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H31NO9,pos_1_1proton1acetonitrile,489.199881572,GEAWMJGSGZLRQM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,3,7.5 13564,3745,-1,,,,0.0,MS1_match,ZQRNNAMGDDNHND-OYQCXUJZSA-N,"InChI=1S/C21H24O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1,3,5-7,14,17-28H,2,4,8H2/t14-,17+,18+,19-,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc3c2CC[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1sodium,436.136946968,ZQRNNAMGDDNHND,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 13565,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-RQUKQETFSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m0/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1sodium,436.1369469679999,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 13566,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-QNDFHXLGSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,0,8.0 13567,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-QNDFHXLGSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Docynia doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,0,8.0 13568,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-QNDFHXLGSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,0,8.0 13569,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 13570,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 13571,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-QNDFHXLGSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Docynia doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,0,8.0 13572,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-RQUKQETFSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m0/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1sodium,436.1369469679999,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 13573,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-QNDFHXLGSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Docynia doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,0,8.0 13574,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 13575,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-QNDFHXLGSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,0,8.0 13576,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 13577,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-RQUKQETFSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m0/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1sodium,436.1369469679999,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 13578,3745,-1,,,,0.0,MS1_match,GSTCPEBQYSOEHV-JOZSIVFUSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18+,19-,20+,21+/m0/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C21H24O10,pos_1_1sodium,436.136946968,GSTCPEBQYSOEHV,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus trilobata,846352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus trilobata'],8,0,8.0 13579,3745,-1,,,,0.0,MS1_match,GSTCPEBQYSOEHV-JOZSIVFUSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18+,19-,20+,21+/m0/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C21H24O10,pos_1_1sodium,436.136946968,GSTCPEBQYSOEHV,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus trilobata,846352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus trilobata'],8,0,8.0 13580,3745,-1,,,,0.0,MS1_match,GSTCPEBQYSOEHV-JOZSIVFUSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18+,19-,20+,21+/m0/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C21H24O10,pos_1_1sodium,436.136946968,GSTCPEBQYSOEHV,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus trilobata,846352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus trilobata'],8,0,8.0 13581,3745,-1,,,,0.0,MS1_match,ZQRNNAMGDDNHND-OYQCXUJZSA-N,"InChI=1S/C21H24O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1,3,5-7,14,17-28H,2,4,8H2/t14-,17+,18+,19-,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc3c2CC[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O10,pos_1_1sodium,436.136946968,ZQRNNAMGDDNHND,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 13582,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 13583,3745,-1,,,,0.0,MS1_match,IOUVKUPGCMBWBT-UHFFFAOYSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,C21H24O10,pos_1_1sodium,436.1369469679998,IOUVKUPGCMBWBT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 13584,3744,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5598892,ISDB,IPKKOHWMHMKNLP-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(27-6)20-13-15-26(5)22-10-9-21-18(8-11-23(28-7)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23,27-28H,8-11,13-15H2,1-7H3",CNC(C)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(NC)C4(C)C,C26H44N2,,384.350449408,IPKKOHWMHMKNLP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.739556789398193 13585,3743,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IPKKOHWMHMKNLP-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(27-6)20-13-15-26(5)22-10-9-21-18(8-11-23(28-7)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23,27-28H,8-11,13-15H2,1-7H3",CNC(C)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(NC)C4(C)C,C26H44N2,pos_2_2proton,384.350449408,IPKKOHWMHMKNLP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,1,8.5 13586,3743,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JLRWQHLWCXUJEL-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3",CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C,C26H44N2,pos_2_2proton,384.350449408,JLRWQHLWCXUJEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,1,8.5 13587,3743,1164,Alkaloids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UVGUDMTZIJXYDY-XSWJKVCQSA-N,"InChI=1S/C26H44N2/c1-17(27)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(28(6)7)24(21,2)3/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3/t17-,20+,21+,22+,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2,pos_2_2proton,384.350449408,UVGUDMTZIJXYDY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,1,8.5 13588,3740,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 13589,3740,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 13590,3736,-1,,,,0.695417,ISDB,RWAKIPFJHIOZAN-PJSUUKDQSA-N,"InChI=1S/C20H22O7/c1-25-17-7-11(3-5-15(17)22)19(24)14-10-27-20(13(14)9-21)12-4-6-16(23)18(8-12)26-2/h3-8,13-14,20-23H,9-10H2,1-2H3/t13-,14-,20+/m0/s1",COc1cc(C(=O)[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H22O7,,374.1365530439999,RWAKIPFJHIOZAN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Larix gmelinii var. olgensis,70975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,0,7.781667947769165 13591,3735,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.671879,ISDB,NKBBUUNAVOMVER-MRXNPFEDSA-N,"InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m1/s1",COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)NCC2,C18H21NO3,,299.152143532,NKBBUUNAVOMVER,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Beilschmiedia penangiana,6025418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia penangiana'],6,3,10.1875159740448 13592,3735,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.671879,ISDB,NKBBUUNAVOMVER-INIZCTEOSA-N,"InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)NCC2,C18H21NO3,,299.152143532,NKBBUUNAVOMVER,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,10.1875159740448 13593,3735,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.671879,ISDB,NKBBUUNAVOMVER-INIZCTEOSA-N,"InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)NCC2,C18H21NO3,,299.152143532,NKBBUUNAVOMVER,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,3,10.1875159740448 13594,3735,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.671879,ISDB,NKBBUUNAVOMVER-INIZCTEOSA-N,"InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)NCC2,C18H21NO3,,299.152143532,NKBBUUNAVOMVER,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya concinna,490063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya concinna'],6,3,10.1875159740448 13595,3735,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.671879,ISDB,NKBBUUNAVOMVER-INIZCTEOSA-N,"InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)NCC2,C18H21NO3,,299.152143532,NKBBUUNAVOMVER,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,3,10.1875159740448 13596,3734,2420,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5217562,ISDB,,,,,,,PAZQENFBGANPNO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.087024688720703 13597,3733,2937,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,pos_2_2proton,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13598,3733,2937,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,pos_2_2proton,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13599,3733,2937,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DNYDYJVMCPIMMQ-BZTLBABMSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,39H,13-16,18,20-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21,C35H50N2O4,pos_2_2proton,562.37705808,DNYDYJVMCPIMMQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13600,3731,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 13601,3731,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 13602,3728,1086,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1acetonitrile,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 13603,3727,102,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8159071,ISDB,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,11.763628482818604 13604,3725,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ONNIMFBTDSHYJD-SZNYQVOFSA-N,"InChI=1S/C33H45NO9/c1-17-23(42-18(2)35)14-21-22(36)13-20-16-33(5,30(40)28(38)26(17)32(21,3)4)25(37)15-24(20)43-31(41)29(39)27(34(6)7)19-11-9-8-10-12-19/h8-13,21-25,27-29,36-39H,14-16H2,1-7H3/b20-13+/t21-,22-,23-,24-,25-,27-,28+,29+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C33H45NO9,pos_1_1proton,599.3094320199999,ONNIMFBTDSHYJD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 13605,3722,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 13606,3722,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 13607,3721,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.72221893,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.388875722885132 13608,3721,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.72221893,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.388875722885132 13609,3720,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LRTHDKCJFOCZMF-MINVPOHDSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)13-5-10(22)15-11(23)6-14(17(26)19(15)29-13)30-20-18(27)16(25)12(24)7-28-20/h1-6,12,16,18,20-21,23-27H,7H2/t12-,16+,18-,20+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C20H18O10,pos_1_1proton,418.089996776,LRTHDKCJFOCZMF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,2,8.0 13610,3720,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LRTHDKCJFOCZMF-MINVPOHDSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)13-5-10(22)15-11(23)6-14(17(26)19(15)29-13)30-20-18(27)16(25)12(24)7-28-20/h1-6,12,16,18,20-21,23-27H,7H2/t12-,16+,18-,20+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C20H18O10,pos_1_1proton,418.089996776,LRTHDKCJFOCZMF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,2,8.0 13611,3719,-1,,,,0.0,MS1_match,PEGHGSZQFPWEFQ-UHFFFAOYSA-N,"InChI=1S/C25H35NO2/c1-16-18-6-7-21-23(4)10-8-19(17(2)28)22(23,3)12-13-25(21)14-24(18,25)11-9-20(16)26(5)15-27/h8,15,18,20-21H,1,6-7,9-14H2,2-5H3",C=C1C(N(C)C=O)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H35NO2,pos_1_1proton,381.26677936,PEGHGSZQFPWEFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 13612,3718,-1,,,,0.78812575,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.15250301361084 13613,3716,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5003846,ISDB,JFLAOPHOUGDFGC-ILADGKKJSA-N,"InChI=1S/C28H24O15/c1-9-20(35)25(42-27(39)11-5-16(33)21(36)17(34)6-11)23(38)28(40-9)43-26-22(37)19-15(32)7-12(29)8-18(19)41-24(26)10-2-3-13(30)14(31)4-10/h2-9,20,23,25,28-36,38H,1H3/t9-,20-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O15,,600.111520068,JFLAOPHOUGDFGC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Combretum,715187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Unknown'],0,3,3.5015385150909424 13614,3714,-1,,,,0.5484757,ISDB,VJRFPARLIPMNRA-HOTGVXAUSA-N,"InChI=1S/C20H20O5/c1-3-17-19(24-11-22-17)7-13(1)5-15-9-21-10-16(15)6-14-2-4-18-20(8-14)25-12-23-18/h1-4,7-8,15-16H,5-6,9-12H2/t15-,16-/m0/s1",c1cc2c(cc1C[C@H]1COC[C@@H]1Cc1ccc3c(c1)OCO3)OCO2,C20H20O5,,340.13107374,VJRFPARLIPMNRA,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Hydrocotyle leucocephala,169595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hydrocotyle'],['Hydrocotyle leucocephala'],6,0,8.193902730941772 13615,3713,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DMWFVSJPHMUFEL-UHFFFAOYSA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C(CCC3(C)C(C(C)N(C)C)CCC23C)CC2=CC(O)C(NC(=O)c3ccccc3)C(C)(C)C21,C35H52N2O4,pos_2_2proton,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13616,3713,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PZUXCVGZGCVETM-PKMGEXTCSA-N,"InChI=1S/C35H52N2O4/c1-22(37(6)7)29-25(41-23(2)39)19-33(5)27-14-13-26-31(3,21-38)28(36-30(40)24-11-9-8-10-12-24)15-16-34(26)20-35(27,34)18-17-32(29,33)4/h8-12,22,25-29,38H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,29-,31+,32+,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H52N2O4,pos_2_2proton,564.392708144,PZUXCVGZGCVETM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13617,3711,1289,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 13618,3709,779,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.6731134,ISDB,YAHBMCAACKWCEA-ATKQMNAUSA-N,"InChI=1S/C15H22O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h4,9-10,12-14,17H,5-7H2,1-3H3/b8-4+/t9-,10+,12-,13+,14+/m0/s1",C/C1=C\CC(=O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,,266.151809184,YAHBMCAACKWCEA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia argentea,1081054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argentea'],3,3,7.192453622817993 13619,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,IELYWLBCFOCUNW-KUXMWZRESA-N,"InChI=1S/C22H24O4/c1-4-6-15-11-22(9-5-2)13(3)18(19(20(15)23)21(22)24)14-7-8-16-17(10-14)26-12-25-16/h4-5,7-8,10-11,13,18-19,21,24H,1-2,6,9,12H2,3H3/t13-,18+,19?,21+,22+/m1/s1",C=CCC1=C[C@@]2(CC=C)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)C(C1=O)[C@@H]2O,C22H24O4,pos_2_2proton,352.16745924799994,IELYWLBCFOCUNW,Shikimates and Phenylpropanoids,Lignans,Neolignans,Ocotea macrophylla,6027360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea macrophylla'],6,1,6.5 13620,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,WJSDHUCWMSHDCR-UHFFFAOYSA-N,"InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3",CC(=O)OCC=Cc1ccccc1,C11H12O2,pos_1_1proton,176.083729624,WJSDHUCWMSHDCR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,1,6.5 13621,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,WJSDHUCWMSHDCR-UHFFFAOYSA-N,"InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3",CC(=O)OCC=Cc1ccccc1,C11H12O2,pos_1_1proton,176.083729624,WJSDHUCWMSHDCR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,1,6.5 13622,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,WJSDHUCWMSHDCR-UHFFFAOYSA-N,"InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3",CC(=O)OCC=Cc1ccccc1,C11H12O2,pos_1_1proton,176.083729624,WJSDHUCWMSHDCR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,1,6.5 13623,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KBEBGUQPQBELIU-CMDGGOBGSA-N,"InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+",CCOC(=O)/C=C/c1ccccc1,C11H12O2,pos_1_1proton,176.083729624,KBEBGUQPQBELIU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,1,6.5 13624,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KBEBGUQPQBELIU-CMDGGOBGSA-N,"InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+",CCOC(=O)/C=C/c1ccccc1,C11H12O2,pos_1_1proton,176.083729624,KBEBGUQPQBELIU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,1,6.5 13625,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KBEBGUQPQBELIU-CMDGGOBGSA-N,"InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+",CCOC(=O)/C=C/c1ccccc1,C11H12O2,pos_1_1proton,176.083729624,KBEBGUQPQBELIU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,1,6.5 13626,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,WJSDHUCWMSHDCR-UHFFFAOYSA-N,"InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3",CC(=O)OCC=Cc1ccccc1,C11H12O2,pos_1_1proton,176.083729624,WJSDHUCWMSHDCR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum osmophloeum,582938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum osmophloeum'],6,1,6.5 13627,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ISCHCBAXHSLKOZ-XBXARRHUSA-N,"InChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13)/b8-4+",O=C(O)CC/C=C/c1ccccc1,C11H12O2,pos_1_1proton,176.083729624,ISCHCBAXHSLKOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,1,6.5 13628,3708,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,WJSDHUCWMSHDCR-UHFFFAOYSA-N,"InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3",CC(=O)OCC=Cc1ccccc1,C11H12O2,pos_1_1proton,176.083729624,WJSDHUCWMSHDCR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,1,6.5 13629,3707,-1,,,,0.9492972,ISDB,AWXXCGMRILXXHY-USACIQFYSA-N,"InChI=1S/C17H18O9/c1-8(18)23-7-12-14(20)15(21)16(22)17(26-12)24-10-4-2-9-3-5-13(19)25-11(9)6-10/h2-6,12,14-17,20-22H,7H2,1H3/t12-,14-,15+,16-,17-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C17H18O9,,366.095082156,AWXXCGMRILXXHY,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Sinacalia tangutica,1010095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Sinacalia'],['Sinacalia tangutica'],4,0,7.797188758850098 13630,3706,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6209412,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,7.983764886856079 13631,3706,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6209412,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,7.983764886856079 13632,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Heliotropium lasiocarpum,805469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium lasiocarpum'],4,1,7.014495849609375 13633,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Rostrinucula dependens,284543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Pogostemoneae'],['Rostrinucula'],['Rostrinucula dependens'],4,1,7.014495849609375 13634,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],4,1,7.014495849609375 13635,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,7.014495849609375 13636,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,7.014495849609375 13637,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,1,7.014495849609375 13638,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,1,7.014495849609375 13639,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Achillea grandifolia,245232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea grandifolia'],4,1,7.014495849609375 13640,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,1,7.014495849609375 13641,3705,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.62862396,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,1,7.014495849609375 13642,3704,721,,,,0.2009008,ISDB,SFTPYNFMHUKKSK-NNPSNHGLSA-N,"InChI=1S/C23H40N8O13/c24-7-1-2-8-25-19(36)15(6-3-9-30(42)13-34)27-21(38)16(11-32)28-22(39)17(18(35)23(40)41)29-20(37)14(26-12-33)5-4-10-31(43)44/h12-18,32,35,42H,1-11,24H2,(H,25,36)(H,26,33)(H,27,38)(H,28,39)(H,29,37)(H,40,41)/t14-,15-,16-,17+,18+/m0/s1",NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC[N+](=O)[O-])NC=O)[C@@H](O)C(=O)O,C23H40N8O13,,636.27148334,SFTPYNFMHUKKSK,,,,Burkholderia mallei,202606.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Burkholderiales'],['Burkholderiaceae'],['Unknown'],['Burkholderia'],['Burkholderia mallei'],0,0,0.8036031723022461 13643,3700,-1,,,,0.0,MS1_match,BKYWAYNSDFXIPL-LOSJGSFVSA-N,"InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25+/m0/s1",CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2,C25H24O11,pos_1_1sodium,500.1318615879998,BKYWAYNSDFXIPL,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 13644,3700,-1,,,,0.0,MS1_match,BKYWAYNSDFXIPL-LOSJGSFVSA-N,"InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25+/m0/s1",CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2,C25H24O11,pos_1_1sodium,500.1318615879998,BKYWAYNSDFXIPL,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 13645,3700,-1,,,,0.0,MS1_match,BKYWAYNSDFXIPL-LOSJGSFVSA-N,"InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25+/m0/s1",CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2,C25H24O11,pos_1_1sodium,500.1318615879998,BKYWAYNSDFXIPL,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],6,0,6.0 13646,3700,-1,,,,0.0,MS1_match,BKYWAYNSDFXIPL-LOSJGSFVSA-N,"InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25+/m0/s1",CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2,C25H24O11,pos_1_1sodium,500.1318615879998,BKYWAYNSDFXIPL,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],6,0,6.0 13647,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lathyrus sativus,510046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus sativus'],4,2,5.932214081287384 13648,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Erythroxylum vacciniifolium,7056262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Erythroxylaceae'],['Unknown'],['Erythroxylum'],['Erythroxylum vacciniifolium'],4,2,5.932214081287384 13649,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Thulinella chrysantha,5748449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome chrysantha'],4,2,5.932214081287384 13650,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cleome chrysantha,5748449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome chrysantha'],4,2,5.932214081287384 13651,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cleome ovalifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],4,2,5.932214081287384 13652,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cleome droserifolia,652888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome droserifolia'],4,2,5.932214081287384 13653,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cleome brachycarpa,517007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Cleome'],['Cleome brachycarpa'],4,2,5.932214081287384 13654,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ostericum sieboldii,825754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ostericum'],['Ostericum sieboldii'],4,2,5.932214081287384 13655,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Vigna subterranea,853659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna subterranea'],4,2,5.932214081287384 13656,3698,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.23305352,ISDB,JZMDHNZJOZUDLG-QVBRAHCHSA-N,"InChI=1S/C27H34O15/c1-10-18(31)20(33)22(35)25(38-10)39-13-6-15(30)14-8-27(37,42-26-23(36)21(34)19(32)17(9-28)41-26)24(40-16(14)7-13)11-2-4-12(29)5-3-11/h2-7,10,17-26,28-37H,8-9H2,1H3/t10-,17+,18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3)[C@H](O)[C@H](O)[C@H]1O,C27H34O15,,598.189770388,JZMDHNZJOZUDLG,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],4,2,5.932214081287384 13657,3697,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.42131126,ISDB,GSTCPEBQYSOEHV-JOZSIVFUSA-N,"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18+,19-,20+,21+/m0/s1",O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C21H24O10,,436.136946968,GSTCPEBQYSOEHV,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus trilobata,846352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus trilobata'],8,3,11.185245037078857 13658,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,OVWZFLKQVPSRDZ-UHFFFAOYSA-N,"InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)30-16-7-12(23)6-15-17(16)13(24)8-14(29-15)10-2-4-11(22)5-3-10/h2-7,9,14,18-23,25-27H,8H2,1H3",CC1OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C(O)C1O,C21H22O9,pos_1_1proton,418.126382284,OVWZFLKQVPSRDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],6,2,7.0 13659,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,2,7.0 13660,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],6,2,7.0 13661,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spinulosa,574227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinulosa'],6,2,7.0 13662,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],6,2,7.0 13663,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VFPGPPMQCHGMCT-KYSZGLPYSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],6,2,7.0 13664,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,2,7.0 13665,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VFPGPPMQCHGMCT-ITSUVCJSSA-N,"InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O9,pos_1_1proton,418.126382284,VFPGPPMQCHGMCT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,2,7.0 13666,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,2,7.0 13667,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rosa chinensis var. spontanea,489296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa chinensis'],6,2,7.0 13668,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,HHQIZOGLMHHKLC-SOCIYPEWSA-N,"InChI=1S/C21H22O9/c1-27-12-6-16-18(13(23)8-15(29-16)10-2-4-11(22)5-3-10)17(7-12)30-21-20(26)19(25)14(24)9-28-21/h2-7,14-15,19-22,24-26H,8-9H2,1H3/t14-,15+,19+,20-,21+/m1/s1",COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C21H22O9,pos_1_1proton,418.126382284,HHQIZOGLMHHKLC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],6,2,7.0 13669,3696,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,CNNUKFIXGVQJSF-CQQLTZKSSA-N,"InChI=1S/C21H22O9/c1-27-11-4-2-10(3-5-11)16-8-14(23)18-13(22)6-12(7-17(18)30-16)29-21-20(26)19(25)15(24)9-28-21/h2-7,15-16,19-22,24-26H,8-9H2,1H3/t15-,16-,19+,20-,21+/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1,C21H22O9,pos_1_1proton,418.1263822839999,CNNUKFIXGVQJSF,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],6,2,7.0 13670,3695,737,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.35959718,ISDB,JBNBPQOSXSSECK-QCVRMJSYSA-N,"InChI=1S/C21H20O8/c1-4-10(2)21(26)29-20-16(25)15-13(23)9-14(24)18(27-3)19(15)28-17(20)11-5-7-12(22)8-6-11/h4-9,17,20,22-24H,1-3H3/b10-4-/t17-,20-/m0/s1",C/C=C(/C)C(=O)O[C@H]1C(=O)c2c(O)cc(O)c(OC)c2O[C@H]1c1ccc(O)cc1,C21H20O8,,400.1158176,JBNBPQOSXSSECK,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Geraea canescens,864185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Geraea'],['Geraea canescens'],4,2,6.438388705253601 13671,3694,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.40646237,ISDB,YNXPTIDORKSKGE-INIZCTEOSA-N,"InChI=1S/C19H16O6/c20-12-5-4-10(7-13(12)21)16-9-15(23)17-14(22)8-11-3-1-2-6-24-18(11)19(17)25-16/h1,3-5,7-8,16,20-22H,2,6,9H2/t16-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c3c(cc(O)c21)C=CCCO3,C19H16O6,,340.094688232,YNXPTIDORKSKGE,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Wyethia mollis,383479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wyethia'],['Wyethia mollis'],4,2,6.625849485397339 13672,3693,-1,,,,0.37322026,ISDB,LWBHKKLWSUFUNZ-UHFFFAOYSA-N,"InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3",COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)CC2=O,C17H16O6,,316.09468823199995,LWBHKKLWSUFUNZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,7.4928810596466064 13673,3692,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 13674,3692,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 13675,3692,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus doumeri,896368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus doumeri'],8,3,9.5 13676,3692,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,3,9.5 13677,3691,2807,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Anthraquinones and anthrones,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,2,9.0 13678,3691,2807,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Anthraquinones and anthrones,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,2,9.0 13679,3687,2415,Shikimates and Phenylpropanoids,Coumarins,Cinnamic acids and derivatives,0.0,MS1_match,QJIYGTAEIRBFIS-UHFFFAOYSA-N,"InChI=1S/C13H12O4/c1-7(14)10-4-9-5-11(8(2)15)17-12(9)6-13(10)16-3/h4-6H,1-3H3",COc1cc2oc(C(C)=O)cc2cc1C(C)=O,C13H12O4,pos_1_1proton,232.073558864,QJIYGTAEIRBFIS,Shikimates and Phenylpropanoids,Coumarins,,Scandosorbus intermedia,7637956.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Scandosorbus'],['Scandosorbus intermedia'],6,2,7.0 13680,3686,1954,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.6527929,ISDB,KFZDTDKRRFEMEK-LLVKDONJSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,5-8H2,1-4H3/t11-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O)CC1(C)C,C13H22O2,,210.161979944,KFZDTDKRRFEMEK,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Tectona grandis,738848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Tectona'],['Tectona grandis'],4,3,8.11117148399353 13681,3685,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13682,3685,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13683,3685,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 13684,3685,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 13685,3685,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13686,3685,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 13687,3685,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 13688,3685,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13689,3685,-1,,,,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,0,8.0 13690,3685,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13691,3685,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13692,3685,-1,,,,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,0,8.0 13693,3685,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13694,3685,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13695,3685,-1,,,,0.0,MS1_match,TXLQONQJSWSJJX-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,TXLQONQJSWSJJX,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13696,3684,-1,,,,0.45899752,ISDB,NYUJYFZXEOGHOB-UHFFFAOYSA-N,"InChI=1S/C25H39NO4/c1-16(2)25(29-5)11-10-23(15-30-25)18-8-6-17-7-9-19-20(22(27)28-4)12-24(23,21(17)19)14-26(3)13-18/h16,18-20H,6-15H2,1-5H3",COC(=O)C1CC23CN(C)CC(CCC4=C2C1CC4)C31CCC(OC)(C(C)C)OC1,C25H39NO4,,417.287908728,NYUJYFZXEOGHOB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum longeracemosum,559409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum himalaense'],4,0,5.835990071296692 13697,3684,-1,,,,0.45899752,ISDB,NYUJYFZXEOGHOB-SJBIMOBPSA-N,"InChI=1S/C25H39NO4/c1-16(2)25(29-5)11-10-23(15-30-25)18-8-6-17-7-9-19-20(22(27)28-4)12-24(23,21(17)19)14-26(3)13-18/h16,18-20H,6-15H2,1-5H3/t18-,19-,20-,23-,24-,25-/m1/s1",COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@]31CC[C@](OC)(C(C)C)OC1,C25H39NO4,,417.287908728,NYUJYFZXEOGHOB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum himalayense,559409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum himalaense'],4,0,5.835990071296692 13698,3683,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13699,3683,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1sodium,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13700,3683,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 13701,3683,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1sodium,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13702,3683,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1sodium,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13703,3683,-1,,,,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1sodium,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,0,8.0 13704,3683,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13705,3683,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1sodium,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13706,3683,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 13707,3683,-1,,,,0.0,MS1_match,TXLQONQJSWSJJX-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1sodium,432.1056468399998,TXLQONQJSWSJJX,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13708,3683,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 13709,3683,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 13710,3683,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 13711,3683,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 13712,3683,-1,,,,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1sodium,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,0,8.0 13713,3682,781,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13714,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Petasites japonicus,47000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites japonicus'],4,3,8.22229528427124 13715,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,3,8.22229528427124 13716,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Marrubium velutinum,6081214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Marrubieae'],['Marrubium'],['Marrubium velutinum'],4,3,8.22229528427124 13717,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],4,3,8.22229528427124 13718,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sarcopyramis bodinieri,7057904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Melastomataceae'],['Unknown'],['Sarcopyramis'],['Sarcopyramis bodinieri'],4,3,8.22229528427124 13719,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Heterophyllaea pustulata,1041897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coussareeae'],['Heterophyllaea'],['Heterophyllaea pustulata'],4,3,8.22229528427124 13720,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Senecio mairetianus,136447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio mairetianus'],4,3,8.22229528427124 13721,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-UHFFFAOYSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3",CC(=O)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C23H22O13,,506.106040764,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hymenoxys hoopesii,950020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Hymenoxys'],['Hymenoxys hoopesii'],4,3,8.22229528427124 13722,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-QZGPLKIZSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nymphaea odorata,583519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Nymphaeales'],['Nymphaeaceae'],['Unknown'],['Nymphaea'],['Nymphaea odorata'],4,3,8.22229528427124 13723,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-QZGPLKIZSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Delphinium oliverianum,733345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Consolida'],['Consolida oliveriana'],4,3,8.22229528427124 13724,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arnica longifolia,384106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica longifolia'],4,3,8.22229528427124 13725,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cyclamen persicum,477897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Cyclamen'],['Cyclamen persicum'],4,3,8.22229528427124 13726,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],4,3,8.22229528427124 13727,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],4,3,8.22229528427124 13728,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-UHFFFAOYSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3",CC(=O)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C23H22O13,,506.106040764,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Peucedanum ostruthium,435990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Peucedanum'],['Peucedanum ostruthium'],4,3,8.22229528427124 13729,3679,665,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6805738,ISDB,IGLUNMMNDNWZOA-LNNZMUSMSA-N,"InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O13,,506.10604076399983,IGLUNMMNDNWZOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Stachyurus himalaicus,1015897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Crossosomatales'],['Stachyuraceae'],['Unknown'],['Stachyurus'],['Stachyurus himalaicus'],4,3,8.22229528427124 13730,3675,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.625441,ISDB,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],5,3,9.001764059066772 13731,3675,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.625441,ISDB,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],5,3,9.001764059066772 13732,3675,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.625441,ISDB,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],5,3,9.001764059066772 13733,3675,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.625441,ISDB,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,9.001764059066772 13734,3675,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.625441,ISDB,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Thujopsis dolabrata,665925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thujopsis'],['Thujopsis dolabrata'],5,3,9.001764059066772 13735,3675,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.625441,ISDB,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Taiwania cryptomerioides,238581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Taiwania'],['Taiwania cryptomerioides'],5,3,9.001764059066772 13736,3674,1203,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1methanol,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sequoiadendron giganteum,810380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Sequoiadendron'],['Sequoiadendron giganteum'],7,3,8.5 13737,3672,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7865118,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.646047115325928 13738,3672,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7865118,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.646047115325928 13739,3671,-1,,,,0.71326673,ISDB,WDKKUOYIQZUWGE-XWBRHDOPSA-N,"InChI=1S/C23H37NO2/c1-15(2)18-10-12-22(3)17-9-8-16-6-5-7-19(16)23(22,21(18)24-14-17)13-11-20(25)26-4/h7,15-18,21,24H,5-6,8-14H2,1-4H3/t16-,17-,18-,21-,22+,23-/m1/s1",COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@@H]3CN[C@@H]1[C@@H](C(C)C)CC[C@@]32C,C23H37NO2,,359.282429424,WDKKUOYIQZUWGE,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum calycinum,816930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum calycinum'],4,0,6.853066921234131 13740,3669,360,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.2452755,ISDB,NZXFMXDJYAHTHS-RKFPQKHCSA-N,"InChI=1S/C25H22O10/c1-33-21-6-12(2-4-16(21)27)3-5-23(31)34-22-11-15-17(28)9-14(26)10-20(15)35-25(22)13-7-18(29)24(32)19(30)8-13/h2-10,22,25-30,32H,11H2,1H3/b5-3+/t22-,25-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)ccc1O,C25H22O10,,482.1212969039999,NZXFMXDJYAHTHS,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Parapiptadenia rigida,328594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Parapiptadenia'],['Parapiptadenia rigida'],4,3,6.481101989746094 13741,3667,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 13742,3667,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 13743,3663,-1,,,,0.0,MS1_match,YSCJAYPKBYRXEZ-HJRRKDPKSA-N,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30-,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C54H86O24,pos_2_1proton1sodium,1118.5509036320002,YSCJAYPKBYRXEZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia elata,322272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia elata'],6,0,6.0 13744,3663,-1,,,,0.0,MS1_match,YSCJAYPKBYRXEZ-HWXAUWDESA-N,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C54H86O24,pos_2_1proton1sodium,1118.550903632,YSCJAYPKBYRXEZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polyscias fruticosa,480778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Polyscias'],['Polyscias fruticosa'],6,0,6.0 13745,3663,-1,,,,0.0,MS1_match,YSCJAYPKBYRXEZ-HWXAUWDESA-N,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C54H86O24,pos_2_1proton1sodium,1118.550903632,YSCJAYPKBYRXEZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia dasyphylla,312594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia dasyphylla'],6,0,6.0 13746,3663,-1,,,,0.0,MS1_match,YSCJAYPKBYRXEZ-HJRRKDPKSA-N,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30-,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C54H86O24,pos_2_1proton1sodium,1118.5509036320002,YSCJAYPKBYRXEZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia elata,322272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia elata'],6,0,6.0 13747,3663,-1,,,,0.0,MS1_match,YSCJAYPKBYRXEZ-HWXAUWDESA-N,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C54H86O24,pos_2_1proton1sodium,1118.550903632,YSCJAYPKBYRXEZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polyscias fruticosa,480778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Polyscias'],['Polyscias fruticosa'],6,0,6.0 13748,3663,-1,,,,0.0,MS1_match,YSCJAYPKBYRXEZ-HWXAUWDESA-N,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C54H86O24,pos_2_1proton1sodium,1118.550903632,YSCJAYPKBYRXEZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia dasyphylla,312594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia dasyphylla'],6,0,6.0 13749,3663,-1,,,,0.0,MS1_match,MUQUZZZDONMTMK-KMRUFTLVSA-N,"InChI=1S/C54H86O24/c1-21(2)45(70)78-42-43(71-22(3)58)54(20-57)24(17-49(42,4)5)23-11-12-28-51(8)15-14-29(50(6,7)27(51)13-16-52(28,9)53(23,10)40(66)41(54)67)74-48-39(35(64)34(63)37(75-48)44(68)69)77-47-38(33(62)31(60)26(19-56)73-47)76-46-36(65)32(61)30(59)25(18-55)72-46/h11,21,24-43,46-48,55-57,59-67H,12-20H2,1-10H3,(H,68,69)/t24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,46-,47-,48+,51-,52+,53-,54-/m0/s1",CC(=O)O[C@H]1[C@H](OC(=O)C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO,C54H86O24,pos_2_1proton1sodium,1118.5509036320004,MUQUZZZDONMTMK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hydrocotyle sibthorpioides,2504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hydrocotyle'],['Hydrocotyle sibthorpioides'],6,0,6.0 13750,3663,-1,,,,0.0,MS1_match,QFMNMKMDSUMRLZ-FISRWMIVSA-N,"InChI=1S/C54H86O24/c1-21(2)45(70)78-42-43(71-22(3)58)54(20-57)24(17-49(42,4)5)23-11-12-28-51(8)15-14-29(50(6,7)27(51)13-16-52(28,9)53(23,10)40(66)41(54)67)74-48-39(77-47-35(64)33(62)31(60)26(19-56)73-47)37(36(65)38(76-48)44(68)69)75-46-34(63)32(61)30(59)25(18-55)72-46/h11,21,24-43,46-48,55-57,59-67H,12-20H2,1-10H3,(H,68,69)/t24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40-,41+,42-,43-,46-,47-,48+,51-,52+,53-,54-/m0/s1",CC(=O)O[C@H]1[C@H](OC(=O)C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO,C54H86O24,pos_2_1proton1sodium,1118.5509036320004,QFMNMKMDSUMRLZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hydrocotyle sibthorpioides,2504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hydrocotyle'],['Hydrocotyle sibthorpioides'],6,0,6.0 13751,3663,-1,,,,0.0,MS1_match,IAYHJOLTWYUZNM-UHFFFAOYSA-N,"InChI=1S/C54H86O24/c1-24(2)10-9-14-54(8,78-48-45(70)41(66)38(63)27(21-55)73-48)25-11-16-53(7)37(25)26(56)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)76-49-46(43(68)40(65)29(75-49)23-72-36(62)20-34(59)60)77-47-44(69)42(67)39(64)28(74-47)22-71-35(61)19-33(57)58/h10,25-32,37-49,55-56,63-70H,9,11-23H2,1-8H3,(H,57,58)(H,59,60)",CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)C(C)(C)C3CCC12C,C54H86O24,pos_2_1proton1sodium,1118.5509036320002,IAYHJOLTWYUZNM,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 13752,3663,-1,,,,0.0,MS1_match,SCGZGMGJBYDJHK-ZDSBJBRRSA-N,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-40(67)35(62)32(59)26(74-46)21-71-44-38(65)33(60)30(57)24(19-55)72-44)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)75-47-42(37(64)36(63)41(76-47)43(68)69)77-45-39(66)34(61)31(58)25(20-56)73-45/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C54H86O24,pos_2_1proton1sodium,1118.550903632,SCGZGMGJBYDJHK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Meryta lanceolata,199399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Meryta'],['Meryta lanceolata'],6,0,6.0 13753,3663,-1,,,,0.0,MS1_match,LEEYYHJQGXOXHR-YAFJBWSUSA-N,"InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-41(76-45-37(65)34(62)31(59)25(20-56)72-45)39(67)40(42(77-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42-,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C54H86O24,pos_2_1proton1sodium,1118.550903632,LEEYYHJQGXOXHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Polyscias fruticosa,480778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Polyscias'],['Polyscias fruticosa'],6,0,6.0 13754,3663,-1,,,,0.0,MS1_match,OVJNJRGKGRKYIY-UHFFFAOYSA-N,"InChI=1S/C54H86O24/c1-22-30(57)32(59)37(64)45(72-22)76-41-25(19-55)73-44(40(67)36(41)63)71-20-26-31(58)33(60)38(65)46(74-26)78-48(70)54-16-14-49(2,3)18-24(54)23-8-9-28-50(4)12-11-29(75-47-39(66)34(61)35(62)42(77-47)43(68)69)51(5,21-56)27(50)10-13-53(28,7)52(23,6)15-17-54/h8,22,24-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)",CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C54H86O24,pos_2_1proton1sodium,1118.550903632,OVJNJRGKGRKYIY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hedera canariensis,28373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera canariensis'],6,0,6.0 13755,3663,-1,,,,0.0,MS1_match,OVJNJRGKGRKYIY-UHFFFAOYSA-N,"InChI=1S/C54H86O24/c1-22-30(57)32(59)37(64)45(72-22)76-41-25(19-55)73-44(40(67)36(41)63)71-20-26-31(58)33(60)38(65)46(74-26)78-48(70)54-16-14-49(2,3)18-24(54)23-8-9-28-50(4)12-11-29(75-47-39(66)34(61)35(62)42(77-47)43(68)69)51(5,21-56)27(50)10-13-53(28,7)52(23,6)15-17-54/h8,22,24-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)",CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C54H86O24,pos_2_1proton1sodium,1118.550903632,OVJNJRGKGRKYIY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hedera helix,524074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera helix'],6,0,6.0 13756,3663,-1,,,,0.0,MS1_match,OVJNJRGKGRKYIY-UHFFFAOYSA-N,"InChI=1S/C54H86O24/c1-22-30(57)32(59)37(64)45(72-22)76-41-25(19-55)73-44(40(67)36(41)63)71-20-26-31(58)33(60)38(65)46(74-26)78-48(70)54-16-14-49(2,3)18-24(54)23-8-9-28-50(4)12-11-29(75-47-39(66)34(61)35(62)42(77-47)43(68)69)51(5,21-56)27(50)10-13-53(28,7)52(23,6)15-17-54/h8,22,24-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)",CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C54H86O24,pos_2_1proton1sodium,1118.550903632,OVJNJRGKGRKYIY,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hedera taurica,6054793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera taurica'],6,0,6.0 13757,3662,329,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,0.785658,ISDB,KTPOZFYJWLGJGH-COMQUAJESA-N,"InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12+,13-,15+/m1/s1",CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C,C15H22O,,218.167065324,KTPOZFYJWLGJGH,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,10.642632007598877 13758,3661,2198,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.50015193,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,9.50060772895813 13759,3660,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.41759425,ISDB,WKUKRFYTEUQNEF-UHFFFAOYSA-N,"InChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13H,12,14-15H2",O=C(C=Cc1ccccc1)CC(=O)CCc1ccccc1,C19H18O2,,278.130679816,WKUKRFYTEUQNEF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus maximowiczii,1071688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus maximowiczii'],6,3,9.170377016067505 13760,3659,-1,,,,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_2MNa,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,0,6.0 13761,3656,-1,,,,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1potassium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,0,6.0 13762,3656,-1,,,,0.0,MS1_match,DNZSCKMZMWYBGM-ZCFIWIBFSA-N,"InChI=1S/C12H12O5/c1-6-5-8-7(11(14)16-2)3-4-9(13)10(8)12(15)17-6/h3-4,6,13H,5H2,1-2H3/t6-/m1/s1",COC(=O)c1ccc(O)c2c1C[C@@H](C)OC2=O,C12H12O5,pos_2MNa,236.068473484,DNZSCKMZMWYBGM,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 13763,3655,1116,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1sodium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 13764,3653,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1proton1ammonium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 13765,3653,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1proton1ammonium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 13766,3653,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1proton1ammonium,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 13767,3652,701,Terpenoids,Lignans,Neolignans,0.0,MS1_match,UZKFZGJIIPOGLV-WOXHNLKXSA-N,"InChI=1S/C25H32O9/c1-13-20(28)21(29)22(30)25(32-13)33-16-7-5-15(6-8-16)23-18(12-27)17-10-14(4-3-9-26)11-19(31-2)24(17)34-23/h5-8,10-11,13,18,20-23,25-30H,3-4,9,12H2,1-2H3/t13-,18-,20-,21+,22+,23-,25-/m0/s1",COc1cc(CCCO)cc2c1O[C@@H](c1ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc1)[C@H]2CO,C25H32O9,pos_1_1sodium,476.204632604,UZKFZGJIIPOGLV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 13768,3651,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.22214371,ISDB,XLWSRBGCDBHJIY-OAAWIFEUSA-N,"InChI=1S/C25H35NO3/c1-15(2)7-6-8-16(3)17-11-12-23(4)13-20-21-18(9-10-19(17)23)22(27)26-25(21,29)14-24(20,5)28/h6-10,16-17,20-21,28-29H,11-14H2,1-5H3,(H,26,27)/b8-6-,18-9+,19-10?/t16-,17+,20-,21-,23+,24+,25-/m0/s1",CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4/C(=C\C=C12)C(=O)N[C@]4(O)C[C@@]3(C)O,C25H35NO3,,397.26169398,XLWSRBGCDBHJIY,Terpenoids,Sesterterpenoids,Ophiobolane sesterterpenoids,Aspergillus,550772.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Unknown'],1,0,1.8885748386383057 13769,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-DUXPYHPUSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 13770,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ZKPVOVWRYJTYRF-OWOJBTEDSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-2,5-6,8-9,11-14,21-22H,3-4,7,10H2/b2-1+",O=C(C/C=C/Cc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,ZKPVOVWRYJTYRF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 13771,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-DUXPYHPUSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula papyrifera,267725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula papyrifera'],7,3,8.5 13772,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-DUXPYHPUSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 13773,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-DUXPYHPUSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13774,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-DUXPYHPUSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 13775,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-UHFFFAOYSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2",O=C(C=CCCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,8.5 13776,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-UHFFFAOYSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2",O=C(C=CCCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 13777,3649,325,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GIKJADRKBZHVCY-UHFFFAOYSA-N,"InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2",O=C(C=CCCc1ccc(O)cc1)CCc1ccc(O)cc1,C19H20O3,pos_1_1proton,296.1412445,GIKJADRKBZHVCY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 13778,3647,2005,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PGSGUFFVLOKDAE-VNSBBCNNSA-N,"InChI=1S/C36H54N2O5/c1-22(38(5)6)31-25(41)19-34(4)28-12-11-27-32(2,21-39)29(14-15-35(27)20-36(28,35)17-16-33(31,34)3)37-30(42)13-9-23-8-10-26(43-7)24(40)18-23/h8-10,13,18,22,25,27-29,31,39-41H,11-12,14-17,19-21H2,1-7H3,(H,37,42)/b13-9+/t22-,25+,27-,28-,29-,31-,32-,33+,34-,35+,36-/m0/s1",COc1ccc(/C=C/C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc1O,C36H54N2O5,pos_2_2proton,594.403272828,PGSGUFFVLOKDAE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 13779,3647,2005,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VYBKKMOWMQANMV-RBODEHBJSA-N,"InChI=1S/C36H54N2O5/c1-23(37(6)7)31-28(43-24(2)40)21-35(5)27-14-15-29-33(3,22-39)30(38(8)32(41)25-12-10-9-11-13-25)17-19-36(29,42)20-26(27)16-18-34(31,35)4/h9-13,16,23,27-31,39,42H,14-15,17-22H2,1-8H3/t23-,27+,28+,29-,30-,31-,33-,34+,35-,36+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@](O)(CC[C@H](N(C)C(=O)c5ccccc5)[C@@]4(C)CO)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C36H54N2O5,pos_2_2proton,594.403272828,VYBKKMOWMQANMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,8.5 13780,3646,-1,,,,0.0,MS1_match,UZKFZGJIIPOGLV-WOXHNLKXSA-N,"InChI=1S/C25H32O9/c1-13-20(28)21(29)22(30)25(32-13)33-16-7-5-15(6-8-16)23-18(12-27)17-10-14(4-3-9-26)11-19(31-2)24(17)34-23/h5-8,10-11,13,18,20-23,25-30H,3-4,9,12H2,1-2H3/t13-,18-,20-,21+,22+,23-,25-/m0/s1",COc1cc(CCCO)cc2c1O[C@@H](c1ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc1)[C@H]2CO,C25H32O9,pos_1_1proton1ethylamine,476.204632604,UZKFZGJIIPOGLV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 13781,3646,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1proton1ethylamine,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 13782,3646,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1proton1ethylamine,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 13783,3646,-1,,,,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_1_1proton1ethylamine,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 13784,3645,360,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6962953,ISDB,SZQUAPJIXVTPBU-ZQQDKFTKSA-N,"InChI=1S/C25H24O11/c26-16-6-1-14(2-7-16)4-9-21(30)35-20-13-25(24(33)34,12-19(29)23(20)32)36-22(31)10-5-15-3-8-17(27)18(28)11-15/h1-11,19-20,23,26-29,32H,12-13H2,(H,33,34)/b9-4+,10-5+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@H]1O,C25H24O11,,500.1318615879998,SZQUAPJIXVTPBU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spuriopimpinella calycina,251304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Spuriopimpinella'],['Spuriopimpinella calycina'],5,1,8.285181283950806 13785,3645,360,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6962953,ISDB,SZQUAPJIXVTPBU-ZQQDKFTKSA-N,"InChI=1S/C25H24O11/c26-16-6-1-14(2-7-16)4-9-21(30)35-20-13-25(24(33)34,12-19(29)23(20)32)36-22(31)10-5-15-3-8-17(27)18(28)11-15/h1-11,19-20,23,26-29,32H,12-13H2,(H,33,34)/b9-4+,10-5+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@H]1O,C25H24O11,,500.1318615879998,SZQUAPJIXVTPBU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spuriopimpinella brachycarpa,207718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Spuriopimpinella'],['Spuriopimpinella brachycarpa'],5,1,8.285181283950806 13786,3642,521,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.27510384,ISDB,SDMADMBVKYOYQN-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)ccc1O,C26H26O12,,530.1424262719999,SDMADMBVKYOYQN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,3,6.600415349006653 13787,3642,521,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.27510384,ISDB,SDMADMBVKYOYQN-KBIVDKRSSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-5+,9-4+/t19-,21-,24+,26-/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@](O)(C(=O)O)C[C@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,C26H26O12,,530.142426272,SDMADMBVKYOYQN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coffea canephora,104739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea canephora'],4,3,6.600415349006653 13788,3641,2807,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Anthraquinones and anthrones,0.57786655,ISDB,BFMIUBHJKFRWIV-MRXNPFEDSA-N,"InChI=1S/C16H16O5/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)13(8)15(19)14(9)12(18)7-16/h3-5,17,19-20H,6-7H2,1-2H3/t16-/m1/s1",COc1cc(O)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC3=O,C16H16O5,,288.099773612,BFMIUBHJKFRWIV,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Berchemia discolor,704358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia discolor'],7,3,10.811466217041016 13789,3640,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Berchemia formosana,6109318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia formosana'],7,0,7.0 13790,3638,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_2MHNH3,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 13791,3638,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_2MHNH3,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 13792,3638,1943,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,PVPDIJGSCANSAG-JSFAVJLPSA-N,"InChI=1S/C25H32O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15/h1-4,7-10,20-28,30-32H,5-6,11-14H2/t20-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O9,pos_2MHNH3,476.2046326039999,PVPDIJGSCANSAG,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 13793,3635,1312,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,IVGZBYIFMCDTOB-YQBUJCNTSA-N,"InChI=1S/C25H38O6/c1-8-19(29)31-18-11-13(2)20-17(28)12-25(7)10-9-16(27)14(3)21(25)23(30-15(4)26)22(18)24(20,5)6/h16-18,21-23,27-28H,3,8-12H2,1-2,4-7H3/t16-,17-,18-,21-,22-,23-,25-/m0/s1",C=C1[C@@H](O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C,C25H38O6,pos_2MFe,434.2668389359999,IVGZBYIFMCDTOB,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 13794,3630,625,Polyketides,Macrolides,Ansa macrolides,0.3376615,ISDB,OPQNCARIZFLNLF-JBHFWYGFSA-N,"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1",COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,C32H43ClN2O9,,634.265708636,OPQNCARIZFLNLF,Polyketides,Macrolides,Ansa macrolides,Thamnobryum sandei,299701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Hypnales'],['Neckeraceae'],['Unknown'],['Thamnobryum'],['Thamnobryum sandei'],3,3,5.850646018981934 13795,3630,625,Polyketides,Macrolides,Ansa macrolides,0.3376615,ISDB,OPQNCARIZFLNLF-JBHFWYGFSA-N,"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1",COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,C32H43ClN2O9,,634.265708636,OPQNCARIZFLNLF,Polyketides,Macrolides,Ansa macrolides,Thamnobryum subseriatum,3859928.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Hypnales'],['Neckeraceae'],['Unknown'],['Thamnobryum'],['Thamnobryum subseriatum'],3,3,5.850646018981934 13796,3630,625,Polyketides,Macrolides,Ansa macrolides,0.3376615,ISDB,OPQNCARIZFLNLF-JBHFWYGFSA-N,"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1",COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,C32H43ClN2O9,,634.265708636,OPQNCARIZFLNLF,Polyketides,Macrolides,Ansa macrolides,Isothecium subdiversiforme,107237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Hypnales'],['Lembophyllaceae'],['Unknown'],['Isothecium'],['Isothecium subdiversiforme'],3,3,5.850646018981934 13797,3629,641,Alkaloids,Tyrosine alkaloids,Tetracyclic diterpenoids,0.47264525,ISDB,QGCSPPKMXOJFEM-RXYILKCJSA-N,"InChI=1S/C29H33NO7/c1-34-25-13-18(5-7-23(25)32)28-21(15-31)20-10-16(11-27(36-3)29(20)37-28)4-6-22-19-14-26(35-2)24(33)12-17(19)8-9-30-22/h5,7,10-14,21-22,28,30-33H,4,6,8-9,15H2,1-3H3/t21-,22-,28+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CC[C@@H]4NCCc5cc(O)c(OC)cc54)cc3[C@@H]2CO)ccc1O,C29H33NO7,,507.2257023959999,QGCSPPKMXOJFEM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lobelia chinensis,104504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia chinensis'],3,2,5.890581011772156 13798,3628,-1,,,,0.0,MS1_match,OFMCNWVMMIJDPE-UHFFFAOYSA-N,"InChI=1S/C29H36O6/c1-16-20(30)15-19-25(32)24-17(2)21(35-22(31)12-11-18-9-7-6-8-10-18)13-14-29(24,5)27(34)26(33)23(16)28(19,3)4/h6-12,19,21,24-27,32-34H,2,13-15H2,1,3-5H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(O)C3=C(C)C(=O)CC(C(O)C12)C3(C)C,C29H36O6,pos_1_1proton1ethylamine,480.2511888719999,OFMCNWVMMIJDPE,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 13799,3627,-1,,,,0.0,MS1_match,WMQZHAXDHLCTLV-UHFFFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)",CC(=O)OC1CC2(C)C3CCC4C(=CC3=CCC2(C)C1C(C)N(C)C)CCC(NC(=O)c1ccccc1)C4(C)CO,C35H50N2O4,pos_1_1proton1methanol,562.37705808,WMQZHAXDHLCTLV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13800,3627,-1,,,,0.0,MS1_match,PNQBFAHMYRZNDC-UYOCFAOYSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)25-15-17-32(4)27-14-13-26-31(3,21-41-23(2)38)28(36-30(40)24-11-9-8-10-12-24)16-18-34(26)20-35(27,34)29(39)19-33(25,32)5/h8-12,22,25-28H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,31+,32-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C35H50N2O4,pos_1_1proton1methanol,562.37705808,PNQBFAHMYRZNDC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13801,3627,-1,,,,0.0,MS1_match,DNYDYJVMCPIMMQ-BZTLBABMSA-N,"InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,39H,13-16,18,20-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1",CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21,C35H50N2O4,pos_1_1proton1methanol,562.37705808,DNYDYJVMCPIMMQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13802,3626,-1,,,,0.0,MS1_match,GGYRCIQGXDJUPI-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(31)14-26(4)21-9-8-20-24(2)16-32-17-30(7)22(24)10-11-27(20)15-28(21,27)13-12-25(23,26)3/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,GGYRCIQGXDJUPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13803,3626,-1,,,,0.0,MS1_match,QOBZCZYZWSKHNJ-BAFQVELBSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)25-23(32)16-28(4)22-11-10-21-19(15-20(22)13-14-27(25,28)3)9-12-24(30(7)8)26(21,2)17-31/h13,15,18,21-25,31-32H,9-12,14,16-17H2,1-8H3/t18-,21+,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@]4(C)CO)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,QOBZCZYZWSKHNJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13804,3626,-1,,,,0.0,MS1_match,NHTXVOKRJSZBJV-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(32)15-26(4)21-10-9-20-24(2,17-31)22(30(7)8)11-12-27(20)16-28(21,27)14-13-25(23,26)3/h9-10,18-23,31-32H,11-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,NHTXVOKRJSZBJV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13805,3626,-1,,,,0.0,MS1_match,PKXJWGJRRLLOMM-LCQYJTQBSA-N,"InChI=1S/C27H44N2O/c1-17(29-18(2)30)21-13-15-27(6)23-10-9-22-19(8-11-24(28-7)25(22,3)4)16-20(23)12-14-26(21,27)5/h12,16-17,21-24,28H,8-11,13-15H2,1-7H3,(H,29,30)/t17-,21+,22-,23+,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)NC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@H]2C1(C)C,C27H44N2O,pos_1_1proton1methanol,412.345364028,PKXJWGJRRLLOMM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13806,3626,-1,,,,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ethylamine,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13807,3626,-1,,,,0.0,MS1_match,DLPHGNHSDIDDPI-KBVVDYDXSA-N,"InChI=1S/C27H44N2O/c1-17-24-22(30-16-29(17)7)15-27(5)21-10-9-20-18(8-11-23(28-6)25(20,2)3)14-19(21)12-13-26(24,27)4/h12,14,17,20-24,28H,8-11,13,15-16H2,1-7H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]5[C@@H](C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)OCN(C)[C@H]5C,C27H44N2O,pos_1_1proton1methanol,412.345364028,DLPHGNHSDIDDPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13808,3626,-1,,,,0.0,MS1_match,WQJGXMIIUOPURY-OROJKWBISA-N,"InChI=1S/C27H44N2O/c1-18(29(5)6)21-12-14-27(4)23-9-8-22-19(15-20(23)11-13-26(21,27)3)7-10-24-25(22,2)16-30-17-28-24/h11,15,18,21-24,28H,7-10,12-14,16-17H2,1-6H3/t18-,21+,22+,23+,24-,25-,26+,27-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@]14C)N(C)C,C27H44N2O,pos_1_1proton1methanol,412.345364028,WQJGXMIIUOPURY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13809,3624,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13810,3624,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13811,3624,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13812,3623,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1proton,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,2,10.0 13813,3623,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QLZMOQILAYMPIF-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C22H22O10,pos_1_1proton,446.1212969039999,QLZMOQILAYMPIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,2,10.0 13814,3621,-1,,,,0.0,MS1_match,XAEXDDRZTSBTMR-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-22(35)25(41-20(33)9-6-16-4-7-17(32)8-5-16)27(42-19,12-38-14(2)30)43-26-24(39-15(3)31)23(36)21(34)18(10-28)40-26/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,XAEXDDRZTSBTMR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13815,3621,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,IUWNEFXWBDZQHK,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13816,3621,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13817,3621,-1,,,,0.0,MS1_match,OYHUIOMLUYPLSY-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-10-18-21(34)23(36)24(39-15(3)31)26(40-18)43-27(12-28)25(22(35)19(42-27)11-38-14(2)30)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,OYHUIOMLUYPLSY,Terpenoids,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13818,3621,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 13819,3621,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13820,3621,-1,,,,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1proton1ethylamine,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13821,3621,-1,,,,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13822,3621,-1,,,,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13823,3621,-1,,,,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1proton1ethylamine,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13824,3620,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MRPJBTFHICBFNE-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3",COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,2,9.0 13825,3620,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MRPJBTFHICBFNE-JKSUJKDBSA-N,"InChI=1S/C16H14O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,15-19,21H,1H3/t15-,16+/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O,C16H14O7,pos_1_1proton1methanol,318.073952788,MRPJBTFHICBFNE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasoides,937996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasoides'],8,2,9.0 13826,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XAEXDDRZTSBTMR-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-22(35)25(41-20(33)9-6-16-4-7-17(32)8-5-16)27(42-19,12-38-14(2)30)43-26-24(39-15(3)31)23(36)21(34)18(10-28)40-26/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,XAEXDDRZTSBTMR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13827,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13828,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13829,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OYHUIOMLUYPLSY-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-10-18-21(34)23(36)24(39-15(3)31)26(40-18)43-27(12-28)25(22(35)19(42-27)11-38-14(2)30)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,OYHUIOMLUYPLSY,Terpenoids,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13830,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 13831,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13832,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13833,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13834,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13835,3619,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13836,3617,-1,,,,0.0,MS1_match,UHWGEBWMTHODHT-CYKJOMKPSA-N,"InChI=1S/C22H32O3/c1-18(2)14-5-6-15-19(3)9-7-16(23)20(19,4)11-12-22(15)13-21(14,22)10-8-17(24)25-18/h14-15H,5-13H2,1-4H3/t14-,15-,19-,20+,21+,22-/m0/s1",CC1(C)OC(=O)CC[C@]23C[C@]24CC[C@]2(C)C(=O)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C22H32O3,pos_1_1proton1acetonitrile,344.235144884,UHWGEBWMTHODHT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 13837,3615,224,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FTHZYAMPYHOOTQ-RZLDTGGBSA-N,"InChI=1S/C33H50N2O3/c1-21(35(5)6)27-23(37)18-31(4)25-13-12-24-29(2,20-36)26(34-28(38)22-10-8-7-9-11-22)14-15-32(24)19-33(25,32)17-16-30(27,31)3/h7-11,21,23-27,36-37H,12-20H2,1-6H3,(H,34,38)/t21-,23+,24-,25-,26-,27-,29+,30+,31-,32+,33-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C33H50N2O3,pos_2_2proton,522.38214346,FTHZYAMPYHOOTQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13838,3613,-1,,,,0.0,MS1_match,XAEXDDRZTSBTMR-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-22(35)25(41-20(33)9-6-16-4-7-17(32)8-5-16)27(42-19,12-38-14(2)30)43-26-24(39-15(3)31)23(36)21(34)18(10-28)40-26/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,XAEXDDRZTSBTMR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13839,3613,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13840,3613,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13841,3613,-1,,,,0.0,MS1_match,OYHUIOMLUYPLSY-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-10-18-21(34)23(36)24(39-15(3)31)26(40-18)43-27(12-28)25(22(35)19(42-27)11-38-14(2)30)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,OYHUIOMLUYPLSY,Terpenoids,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 13842,3613,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 13843,3613,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13844,3613,-1,,,,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1proton1ammonium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13845,3613,-1,,,,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13846,3613,-1,,,,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13847,3613,-1,,,,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1proton1ammonium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 13848,3612,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13849,3612,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13850,3611,-1,,,,0.43999058,ISDB,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,7.759962320327759 13851,3610,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.3258044,ISDB,ONNIMFBTDSHYJD-SZNYQVOFSA-N,"InChI=1S/C33H45NO9/c1-17-23(42-18(2)35)14-21-22(36)13-20-16-33(5,30(40)28(38)26(17)32(21,3)4)25(37)15-24(20)43-31(41)29(39)27(34(6)7)19-11-9-8-10-12-19/h8-13,21-25,27-29,36-39H,14-16H2,1-7H3/b20-13+/t21-,22-,23-,24-,25-,27-,28+,29+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C33H45NO9,,599.3094320199999,ONNIMFBTDSHYJD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,9.803217649459839 13852,3609,514,Alkaloids,Ornithine alkaloids,Polyamines,0.44547468,ISDB,,,,,,,MVQJZRHVRYDVSO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7818987369537354 13853,3605,-1,,,,0.6540264,ISDB,,,,,,,UFRPATVIMKTUDU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.616105556488037 13854,3604,-1,,,,0.0,MS1_match,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,pos_1_1proton1methanol,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 13855,3602,-1,,,,0.42964792,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],4,0,5.718591690063477 13856,3602,-1,,,,0.42964792,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Aphanamixis grandifolia,5747782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis grandifolia'],4,0,5.718591690063477 13857,3602,-1,,,,0.42964792,ISDB,ZGWAMLWWZPWUEI-DYIMBGGFSA-N,"InChI=1S/C24H36O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h7,16-17,19H,8-14H2,1-6H3/t16-,17-,19-,22+,23-,24+/m0/s1",CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C24H36O2,,356.271530392,ZGWAMLWWZPWUEI,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Dysoxylum lenticellatum,5747796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum lenticellatum'],4,0,5.718591690063477 13858,3601,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 13859,3601,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 13860,3600,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.41298583,ISDB,RNDNBGULZNCSNB-LYFQOWASSA-N,"InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30-/m1/s1",O=C1Oc2cc(O)c3c(c2[C@@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@H](O)C3,C30H22O10,,542.121296904,RNDNBGULZNCSNB,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,3,8.151943325996399 13861,3600,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.41298583,ISDB,RNDNBGULZNCSNB-LYFQOWASSA-N,"InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30-/m1/s1",O=C1Oc2cc(O)c3c(c2[C@@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@H](O)C3,C30H22O10,,542.121296904,RNDNBGULZNCSNB,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],5,3,8.151943325996399 13862,3599,1731,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FTHZYAMPYHOOTQ-RZLDTGGBSA-N,"InChI=1S/C33H50N2O3/c1-21(35(5)6)27-23(37)18-31(4)25-13-12-24-29(2,20-36)26(34-28(38)22-10-8-7-9-11-22)14-15-32(24)19-33(25,32)17-16-30(27,31)3/h7-11,21,23-27,36-37H,12-20H2,1-6H3,(H,34,38)/t21-,23+,24-,25-,26-,27-,29+,30+,31-,32+,33-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C33H50N2O3,pos_1_1proton,522.38214346,FTHZYAMPYHOOTQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13863,3598,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VSOMBMILGWLJQZ-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(29(7)8)21-14-16-27(5)23-11-10-22-19(9-12-24(28-6)25(22,2)3)17-20(23)13-15-26(21,27)4/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C27H46N2,pos_2_2proton,398.366099472,VSOMBMILGWLJQZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13864,3598,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZKQCFKWMWXFCIU-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(28-6)21-14-16-27(5)23-11-10-22-19(17-20(23)13-15-26(21,27)4)9-12-24(29(7)8)25(22,2)3/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2,pos_2_2proton,398.366099472,ZKQCFKWMWXFCIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13865,3595,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 13866,3595,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1proton1ethylamine,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 13867,3595,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 13868,3595,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 13869,3595,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 13870,3595,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 13871,3594,-1,,,,0.27972153,ISDB,IFYYFLINQYPWGJ-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",CCCCCCC1CCC(=O)O1,C10H18O2,,170.130679816,IFYYFLINQYPWGJ,Fatty acids,Fatty esters,Lactones,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,9.118886113166809 13872,3593,-1,,,,0.60691595,ISDB,ZKQCFKWMWXFCIU-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(28-6)21-14-16-27(5)23-11-10-22-19(17-20(23)13-15-26(21,27)4)9-12-24(29(7)8)25(22,2)3/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2,,398.366099472,ZKQCFKWMWXFCIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.427663803100586 13873,3591,1832,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_2MHNH3,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 13874,3590,168,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1proton1ammonium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 13875,3589,168,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.47472426,ISDB,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,9.398897051811218 13876,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 13877,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 13878,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 13879,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-JTHNCSCQSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17+,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@H]1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,7.5 13880,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 13881,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-BUFXCDORSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,7.5 13882,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,7.5 13883,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 13884,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 13885,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 13886,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-JTHNCSCQSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17+,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@H]1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,7.5 13887,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 13888,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-BUFXCDORSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,7.5 13889,3588,728,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.0,MS1_match,PERPNFLGJXUDDW-UHFFFAOYSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2",OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)c(O)c3)c2)C(O)C(O)C1O,C20H22O9,pos_1_1proton1methanol,406.126382284,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,7.5 13890,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 13891,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 13892,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 13893,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 13894,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 13895,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 13896,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 13897,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 13898,3587,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 13899,3586,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.2886469,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,8.654587626457214 13900,3586,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.2886469,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,3,8.654587626457214 13901,3586,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.2886469,ISDB,ANNNBEZJTNCXHY-NSCUHMNNSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+",COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,3,8.654587626457214 13902,3586,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.2886469,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,8.654587626457214 13903,3586,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.2886469,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,8.654587626457214 13904,3586,2273,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.2886469,ISDB,ANNNBEZJTNCXHY-NSCUHMNNSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+",COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,3,8.654587626457214 13905,3585,2022,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.5696536,ISDB,FZQLEXXZAVVCCA-XCVCLJGOSA-N,"InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+",O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1,C15H12O3,,240.078644244,FZQLEXXZAVVCCA,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,3,8.778614282608032 13906,3584,2983,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.45767018,ISDB,WZNJWVWKTVETCG-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)",NC(Cn1ccc(=O)c(O)c1)C(=O)O,C8H10N2O4,,198.0640568,WZNJWVWKTVETCG,Amino acids and Peptides,Small peptides,Aminoacids,Leucaena leucocephala,510052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Leucaena'],['Leucaena leucocephala'],3,3,6.330680727958679 13907,3584,2983,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.45767018,ISDB,WZNJWVWKTVETCG-YFKPBYRVSA-N,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1",N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O,C8H10N2O4,,198.0640568,WZNJWVWKTVETCG,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,6.330680727958679 13908,3583,2923,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.7290773,ISDB,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",Oc1ccccc1-c1ccccc1,C12H10O,,170.07316494,LLEMOWNGBBNAJR,Shikimates and Phenylpropanoids,,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,1,6.416309118270874 13909,3583,2923,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.7290773,ISDB,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",Oc1ccccc1-c1ccccc1,C12H10O,,170.07316494,LLEMOWNGBBNAJR,Shikimates and Phenylpropanoids,,,Vaccinium macrocarpon,295602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium macrocarpon'],3,1,6.416309118270874 13910,3583,2923,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.7290773,ISDB,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",Oc1ccccc1-c1ccccc1,C12H10O,,170.07316494,LLEMOWNGBBNAJR,Shikimates and Phenylpropanoids,,,Vaccinium vitis-idaea,242921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium vitis-idaea'],3,1,6.416309118270874 13911,3583,2923,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.7290773,ISDB,LLEMOWNGBBNAJR-UHFFFAOYSA-N,"InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",Oc1ccccc1-c1ccccc1,C12H10O,,170.07316494,LLEMOWNGBBNAJR,Shikimates and Phenylpropanoids,,,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],3,1,6.416309118270874 13912,3582,2561,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.35570726,ISDB,ZBFSUZGUYFFWGY-SFHVURJKSA-N,"InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1,C19H22O4,,314.15180918399994,ZBFSUZGUYFFWGY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,10.922829031944275 13913,3580,-1,,,,0.0,MS1_match,ATRBFJXIWFCIMW-ZGNDCXKCSA-N,"InChI=1S/C21H20O13/c22-5-11-13(26)16(29)18(31)21(33-11)32-10-4-9(25)12-15(28)17(30)19(34-20(12)14(10)27)6-1-2-7(23)8(24)3-6/h1-4,11,13,16,18,21-27,29-31H,5H2/t11-,13-,16+,18-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,ATRBFJXIWFCIMW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,0,6.0 13914,3580,-1,,,,0.0,MS1_match,JRIFEBBZCKIHQR-FVMBKZPDSA-N,"InChI=1S/C21H20O13/c22-5-8-10(24)13(27)17(31)21(32-8)34-20-12(26)9-11(25)14(28)15(29)16(30)19(9)33-18(20)6-1-3-7(23)4-2-6/h1-4,8,10,13,17,21-25,27-31H,5H2/t8-,10-,13+,17-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,JRIFEBBZCKIHQR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Urena lobata,485925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Urena'],['Urena lobata'],6,0,6.0 13915,3580,-1,,,,0.0,MS1_match,YHQOEBIHPWOMKE-DSTJRUDUSA-N,"InChI=1S/C21H20O13/c22-4-11-14(27)17(30)19(32)21(34-11)12-9(26)3-10-13(15(12)28)16(29)18(31)20(33-10)5-1-7(24)8(25)2-6(5)23/h1-3,11,14,17,19,21-28,30-32H,4H2/t11-,14-,17+,19-,21+/m1/s1",O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O13,pos_1_1proton,480.0903907,YHQOEBIHPWOMKE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 13916,3578,1733,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5094927,ISDB,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sequoiadendron giganteum,810380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Sequoiadendron'],['Sequoiadendron giganteum'],7,3,10.537970781326294 13917,3577,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.40032983,ISDB,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.101319313049316 13918,3576,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,pos_2_2proton,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13919,3575,-1,,,,0.565486,ISDB,,,,,,,XBYOUYRSKQJUOB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.261944055557251 13920,3574,646,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.40122023,ISDB,CXMUQCRSSKJBHD-NCZFFCEISA-N,"InChI=1S/C16H25N/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12H,5-7,9,11H2,1-4H3/b15-10+,16-12+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC#N,C16H25N,,231.1986998,CXMUQCRSSKJBHD,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,7.104880928993225 13921,3573,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1sodium,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13922,3573,-1,,,,0.0,MS1_match,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,pos_1_1sodium,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13923,3573,-1,,,,0.0,MS1_match,BZGHUZGALXIEBL-UHFFFAOYSA-N,"InChI=1S/C22H24O10/c1-29-20-14(31-22-19(28)18(27)17(26)15(9-23)32-22)8-12(25)16-11(24)7-13(30-21(16)20)10-5-3-2-4-6-10/h2-6,8,13,15,17-19,22-23,25-28H,7,9H2,1H3",COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccccc1)CC2=O,C22H24O10,pos_1_1sodium,448.136946968,BZGHUZGALXIEBL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13924,3573,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-UHFFFAOYSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)",COc1cc(C=CC(=O)O)cc(OC)c1O,C11H12O5,pos_2MNa,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13925,3573,-1,,,,0.0,MS1_match,MNYVBVCMMNPLJI-YKCILCNNSA-N,"InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1",COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C22H24O10,pos_1_1sodium,448.1369469679999,MNYVBVCMMNPLJI,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13926,3573,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1potassium,432.163161716,LLEMMFPELBNINR,,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 13927,3572,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 13928,3572,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FKAOWOSRYSMEBS-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3",COc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O,C16H14O5,pos_1_1proton,286.084123548,FKAOWOSRYSMEBS,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 13929,3570,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.71579665,ISDB,DZBDDACPJRFJGO-NXBFSHDWSA-N,"InChI=1S/C19H34N2O2/c1-13-9-14(11-16-5-3-4-8-21(16)2)17-7-6-15(12-19(22)23)20-18(17)10-13/h13-18,20H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,17+,18-/m1/s1",C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CC[C@@H](CC(=O)O)N[C@@H]2C1,C19H34N2O2,,322.262028328,DZBDDACPJRFJGO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lycopodiella cernua,429356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Palhinhaea'],['Palhinhaea cernua'],3,1,6.363186597824097 13930,3568,-1,,,,0.0,MS1_match,SFKPSOAYNYYOLN-IBWRYCSWSA-N,"InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O,pos_1_1proton1methanol,450.361014092,SFKPSOAYNYYOLN,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 13931,3568,-1,,,,0.0,MS1_match,SFKPSOAYNYYOLN-ZDRDPXIKSA-N,"InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22+,23-,24-,25+,26-,27-,29-,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O,pos_1_1proton1methanol,450.361014092,SFKPSOAYNYYOLN,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,0,6.0 13932,3568,-1,,,,0.0,MS1_match,NISGMKNSSUMSSN-DHXMEVIDSA-N,"InChI=1S/C30H46N2O/c1-20(31-4)25-13-14-26-24-12-11-22-19-23(32(5)28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27,31H,11-19H2,1-5H3/t20-,22+,23+,24+,25-,26+,27+,29+,30-/m1/s1",CN[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C30H46N2O,pos_1_1proton1methanol,450.361014092,NISGMKNSSUMSSN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 13933,3567,-1,,,,0.8269299,ISDB,NEPMMBQHELYZIW-YMTXFHFDSA-N,"InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C22H24O10,,448.1369469679999,NEPMMBQHELYZIW,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,12.307719707489014 13934,3564,-1,,,,0.85694194,ISDB,QCPKSTMYFZPGOX-RMYDJVHWSA-N,"InChI=1S/C25H24O15/c1-36-13-4-9(2-3-11(13)27)23-24(20(33)18-12(28)5-10(26)6-14(18)38-23)40-25-22(35)21(34)19(32)15(39-25)8-37-17(31)7-16(29)30/h2-6,15,19,21-22,25-28,32,34-35H,7-8H2,1H3,(H,29,30)/t15-,19-,21+,22-,25?/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H24O15,,564.111520068,QCPKSTMYFZPGOX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyteuma orbiculare,743259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Phyteuma'],['Phyteuma orbiculare'],4,0,7.427767753601074 13935,3562,-1,,,,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1proton1acetonitrile,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 13936,3562,-1,,,,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1proton1acetonitrile,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13937,3562,-1,,,,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1proton1acetonitrile,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 13938,3562,-1,,,,0.0,MS1_match,PVCSOVFCVIEUFH-IGCYBFCNSA-N,"InChI=1S/C24H32O9/c25-17-9-6-14(11-19(17)27)3-1-2-4-16(8-5-15-7-10-18(26)20(28)12-15)33-24-23(31)22(30)21(29)13-32-24/h6-7,9-12,16,21-31H,1-5,8,13H2/t16-,21-,22+,23-,24+/m1/s1",Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C24H32O9,pos_1_1proton1acetonitrile,464.2046326039999,PVCSOVFCVIEUFH,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 13939,3561,-1,,,,0.0,MS1_match,LAZTYHUJTYIXAO-LRQUAVBHSA-N,"InChI=1S/C21H32O10/c1-12(7-8-13-5-3-2-4-6-13)30-19-17(25)16(24)15(23)14(31-19)9-28-20-18(26)21(27,10-22)11-29-20/h2-6,12,14-20,22-27H,7-11H2,1H3/t12-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1",C[C@H](CCc1ccccc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O10,pos_1_1potassium,444.199547224,LAZTYHUJTYIXAO,Shikimates and Phenylpropanoids,,,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],6,0,6.0 13940,3560,655,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,WUDUHFPSNBSHMA-NLRWUALESA-N,"InChI=1S/C15H20O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h3,10-13,16-17H,1,4-7H2,2H3/t10-,11+,12+,13-,15-/m1/s1",C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CC=C(CO)[C@@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,WUDUHFPSNBSHMA,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,8.5 13941,3559,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.7168007,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.367202758789062 13942,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus sanguinea,60981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus sanguinea'],7,3,8.5 13943,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,3,8.5 13944,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,3,8.5 13945,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus aria,222834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aria'],7,3,8.5 13946,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,3,8.5 13947,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,3,8.5 13948,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1proton,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,3,8.5 13949,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1proton,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,3,8.5 13950,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus intermedia,317926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus intermedia'],7,3,8.5 13951,3558,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 13952,3556,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 13953,3555,2005,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HIEGBZPNSCMIJU-IHXOVPCESA-N,"InChI=1S/C36H56N2O5/c1-22(37(5)6)24-12-14-34(4)28-11-10-27-32(2,21-39)29(13-15-35(27)20-36(28,35)17-16-33(24,34)3)38(7)31(41)23-18-25(42-8)30(40)26(19-23)43-9/h18-19,22,24,27-29,39-40H,10-17,20-21H2,1-9H3/t22-,24+,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1",COc1cc(C(=O)N(C)[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C36H56N2O5,pos_2_2proton,596.418922892,HIEGBZPNSCMIJU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 13954,3554,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MHNH3,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 13955,3554,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MHNH3,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13956,3554,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MHNH3,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13957,3554,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MHNH3,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 13958,3554,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MHNH3,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13959,3554,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MHNH3,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13960,3554,-1,,,,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MHNH3,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13961,3550,403,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,SBBFXSBQYRSIPP-GNBUJSLZSA-O,"InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18+,20-/m0/s1",OC[C@@H]1O[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O,C20H19O10+,pos_1_1sodium,419.09727322809,SBBFXSBQYRSIPP,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 13962,3549,-1,,,,0.0,MS1_match,VWORGKSAVUQKSQ-UHFFFAOYSA-N,"InChI=1S/C19H18O3/c20-15-4-2-1-3-13-6-9-18(21)16(11-13)17-12-14(5-8-15)7-10-19(17)22/h2,4,6-7,9-12,21-22H,1,3,5,8H2",O=C1C=CCCc2ccc(O)c(c2)-c2cc(ccc2O)CC1,C19H18O3,pos_1_1proton,294.125594436,VWORGKSAVUQKSQ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13963,3548,1073,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,QCDYOIZVELGOLZ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1,C18H16O6,pos_2_2proton,328.094688232,QCDYOIZVELGOLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13964,3548,1073,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VOLPCZWHFBZDQT-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-16-14(20)13-11(19)9-12(10-7-5-4-6-8-10)24-15(13)17(22-2)18(16)23-3/h4-9,20H,1-3H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC,C18H16O6,pos_2_2proton,328.09468823199995,VOLPCZWHFBZDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,3,8.5 13965,3547,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],7,0,7.0 13966,3546,-1,,,,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],8,0,8.0 13967,3545,2775,Alkaloids,Steroids,Ansa peptide alkaloids,0.0,MS1_match,YTKIUQMMCNEDNK-SDSHPZQUSA-N,"InChI=1S/C26H40N4O5/c1-8-19-24(32)27-14-13-17-9-11-18(12-10-17)35-23(16(4)5)20(25(33)28-19)29-26(34)21(30(6)7)22(31)15(2)3/h9-16,19-23,31H,8H2,1-7H3,(H,27,32)(H,28,33)(H,29,34)/b14-13-/t19-,20-,21+,22-,23-/m1/s1",CC[C@H]1NC(=O)[C@H](NC(=O)[C@H]([C@H](O)C(C)C)N(C)C)[C@@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O,C26H40N4O5,pos_1_1sodium1acetonitrile,488.29987038,YTKIUQMMCNEDNK,Alkaloids,Peptide alkaloids,Ansa peptide alkaloids,Melochia corchorifolia,267045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Melochia'],['Melochia corchorifolia'],6,3,7.5 13968,3544,-1,,,,0.0,MS1_match,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,pos_2_2proton,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 13969,3541,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,8.5 13970,3541,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13971,3541,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 13972,3541,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 13973,3541,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13974,3541,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 13975,3541,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ammonium,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 13976,3540,-1,,,,0.9314778,ISDB,LRTHDKCJFOCZMF-MINVPOHDSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)13-5-10(22)15-11(23)6-14(17(26)19(15)29-13)30-20-18(27)16(25)12(24)7-28-20/h1-6,12,16,18,20-21,23-27H,7H2/t12-,16+,18-,20+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C20H18O10,,418.089996776,LRTHDKCJFOCZMF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,10.725911140441895 13977,3540,-1,,,,0.9314778,ISDB,LRTHDKCJFOCZMF-MINVPOHDSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)13-5-10(22)15-11(23)6-14(17(26)19(15)29-13)30-20-18(27)16(25)12(24)7-28-20/h1-6,12,16,18,20-21,23-27H,7H2/t12-,16+,18-,20+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C20H18O10,,418.089996776,LRTHDKCJFOCZMF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,10.725911140441895 13978,3539,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MNa,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 13979,3539,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MNa,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13980,3539,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MNa,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13981,3539,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MNa,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 13982,3539,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MNa,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13983,3539,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MNa,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13984,3539,-1,,,,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_2MNa,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13985,3536,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1potassium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 13986,3536,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1potassium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13987,3536,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1potassium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13988,3536,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1potassium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 13989,3536,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1potassium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13990,3536,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1potassium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 13991,3536,-1,,,,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1potassium,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 13992,3535,-1,,,,0.2971657,ISDB,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,9.188662767410278 13993,3533,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7155445,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,3,9.362178087234497 13994,3533,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7155445,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus brutia,1061362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,9.362178087234497 13995,3533,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7155445,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.362178087234497 13996,3532,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_2_2proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13997,3532,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_2_2proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13998,3532,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_2_2proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 13999,3532,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_2_2proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14000,3531,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.72246075,ISDB,,,,,,,OXOXNAAZJDPOIV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.889842987060547 14001,3530,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 14002,3530,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 14003,3530,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 14004,3530,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 14005,3530,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 14006,3530,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 14007,3530,-1,,,,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1proton1ethylamine,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 14008,3529,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 14009,3529,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 14010,3529,-1,,,,0.0,MS1_match,DAJUBFCWVHCYKM-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,DAJUBFCWVHCYKM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 14011,3529,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,0,7.0 14012,3529,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 14013,3529,-1,,,,0.0,MS1_match,KQQLSXWIDDTWRR-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399998,KQQLSXWIDDTWRR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 14014,3529,-1,,,,0.0,MS1_match,OBLUAMRQDSKSPP-RABNCREUSA-N,"InChI=1S/C24H30O9/c25-16-3-1-2-14(10-16)5-8-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)7-4-15-6-9-19(27)20(28)11-15/h1-3,6,9-11,18,21-25,27-31H,4-5,7-8,12-13H2/t18-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O9,pos_1_1sodium,462.1889825399999,OBLUAMRQDSKSPP,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 14015,3528,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 14016,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,0,6.0 14017,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nectandra gardneri,5699189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra gardneri'],6,0,6.0 14018,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 14019,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 14020,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],6,0,6.0 14021,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Neolitsea aurata,265292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea aurata'],6,0,6.0 14022,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],6,0,6.0 14023,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,0,6.0 14024,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya moschata,5699309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya moschata'],6,0,6.0 14025,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,0,6.0 14026,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 14027,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum subavenium,17156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum subavenium'],6,0,6.0 14028,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 14029,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,0,6.0 14030,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,0,6.0 14031,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum subavenium,17156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum subavenium'],6,0,6.0 14032,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,0,6.0 14033,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 14034,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,0,6.0 14035,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,0,6.0 14036,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum subavenium,17156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum subavenium'],6,0,6.0 14037,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,0,6.0 14038,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,0,6.0 14039,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 14040,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-NJZJCWFJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m1/s1",C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Neolitsea parvigemma,6027081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea parvigemma'],6,0,6.0 14041,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,0,6.0 14042,3528,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 14043,3528,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 14044,3528,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 14045,3528,-1,,,,0.0,MS1_match,RZVNYFCJWGTYBA-VQPYYTDLSA-N,"InChI=1S/C18H24O12/c1-26-15(24)9-4-8(2-3-10(9)20)29-16-12(22)13(11(21)5-27-16)30-17-14(23)18(25,6-19)7-28-17/h2-4,11-14,16-17,19-23,25H,5-7H2,1H3/t11-,12-,13-,14+,16-,17+,18-/m1/s1",COC(=O)c1cc(O[C@H]2OC[C@@H](O)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)ccc1O,C18H24O12,pos_1_1potassium,432.126776208,RZVNYFCJWGTYBA,Terpenoids,,,Lindera neesiana,356806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera fruticosa'],6,0,6.0 14046,3528,-1,,,,0.0,MS1_match,RZVNYFCJWGTYBA-VQPYYTDLSA-N,"InChI=1S/C18H24O12/c1-26-15(24)9-4-8(2-3-10(9)20)29-16-12(22)13(11(21)5-27-16)30-17-14(23)18(25,6-19)7-28-17/h2-4,11-14,16-17,19-23,25H,5-7H2,1H3/t11-,12-,13-,14+,16-,17+,18-/m1/s1",COC(=O)c1cc(O[C@H]2OC[C@@H](O)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)ccc1O,C18H24O12,pos_1_1potassium,432.126776208,RZVNYFCJWGTYBA,Terpenoids,,,Lindera fruticosa,356806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera fruticosa'],6,0,6.0 14047,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 14048,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,0,6.0 14049,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,0,6.0 14050,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum tamala,212562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tamala'],6,0,6.0 14051,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-NJZJCWFJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m1/s1",C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H20O11,pos_1_1sodium,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Neolitsea parvigemma,6027081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea parvigemma'],6,0,6.0 14052,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum tamala,212562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tamala'],6,0,6.0 14053,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 14054,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nectandra gardneri,5699189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra gardneri'],6,0,6.0 14055,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 14056,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 14057,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],6,0,6.0 14058,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Neolitsea aurata,265292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea aurata'],6,0,6.0 14059,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],6,0,6.0 14060,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,0,6.0 14061,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya moschata,5699309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya moschata'],6,0,6.0 14062,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 14063,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,0,6.0 14064,3528,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,0,6.0 14065,3528,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,0,6.0 14066,3527,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,XQPKKOQWBSSHEF-JKJJEPENSA-N,"InChI=1S/C30H42O14/c31-13-23-24(37)25(38)26(39)30(43-23)44-28-22(36)14-41-29(27(28)40)42-17(8-5-16-7-10-19(33)21(35)12-16)4-2-1-3-15-6-9-18(32)20(34)11-15/h6-7,9-12,17,22-40H,1-5,8,13-14H2/t17-,22-,23-,24-,25+,26-,27-,28+,29+,30+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H](CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)OC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H42O14,pos_1_1proton1ammonium,626.2574560239999,XQPKKOQWBSSHEF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 14067,3527,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,XQPKKOQWBSSHEF-JKJJEPENSA-N,"InChI=1S/C30H42O14/c31-13-23-24(37)25(38)26(39)30(43-23)44-28-22(36)14-41-29(27(28)40)42-17(8-5-16-7-10-19(33)21(35)12-16)4-2-1-3-15-6-9-18(32)20(34)11-15/h6-7,9-12,17,22-40H,1-5,8,13-14H2/t17-,22-,23-,24-,25+,26-,27-,28+,29+,30+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H](CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)OC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H42O14,pos_1_1proton1ammonium,626.2574560239999,XQPKKOQWBSSHEF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 14068,3527,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,XQPKKOQWBSSHEF-UHFFFAOYSA-N,"InChI=1S/C30H42O14/c31-13-23-24(37)25(38)26(39)30(43-23)44-28-22(36)14-41-29(27(28)40)42-17(8-5-16-7-10-19(33)21(35)12-16)4-2-1-3-15-6-9-18(32)20(34)11-15/h6-7,9-12,17,22-40H,1-5,8,13-14H2",OCC1OC(OC2C(O)COC(OC(CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O,C30H42O14,pos_1_1proton1ammonium,626.257456024,XQPKKOQWBSSHEF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 14069,3527,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,XQPKKOQWBSSHEF-JKJJEPENSA-N,"InChI=1S/C30H42O14/c31-13-23-24(37)25(38)26(39)30(43-23)44-28-22(36)14-41-29(27(28)40)42-17(8-5-16-7-10-19(33)21(35)12-16)4-2-1-3-15-6-9-18(32)20(34)11-15/h6-7,9-12,17,22-40H,1-5,8,13-14H2/t17-,22-,23-,24-,25+,26-,27-,28+,29+,30+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H](CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)OC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H42O14,pos_1_1proton1ammonium,626.2574560239999,XQPKKOQWBSSHEF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,8.5 14070,3527,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,XQPKKOQWBSSHEF-JKJJEPENSA-N,"InChI=1S/C30H42O14/c31-13-23-24(37)25(38)26(39)30(43-23)44-28-22(36)14-41-29(27(28)40)42-17(8-5-16-7-10-19(33)21(35)12-16)4-2-1-3-15-6-9-18(32)20(34)11-15/h6-7,9-12,17,22-40H,1-5,8,13-14H2/t17-,22-,23-,24-,25+,26-,27-,28+,29+,30+/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H](CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)OC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C30H42O14,pos_1_1proton1ammonium,626.2574560239999,XQPKKOQWBSSHEF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 14071,3527,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,XQPKKOQWBSSHEF-UHFFFAOYSA-N,"InChI=1S/C30H42O14/c31-13-23-24(37)25(38)26(39)30(43-23)44-28-22(36)14-41-29(27(28)40)42-17(8-5-16-7-10-19(33)21(35)12-16)4-2-1-3-15-6-9-18(32)20(34)11-15/h6-7,9-12,17,22-40H,1-5,8,13-14H2",OCC1OC(OC2C(O)COC(OC(CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O,C30H42O14,pos_1_1proton1ammonium,626.257456024,XQPKKOQWBSSHEF,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 14072,3527,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,WGXOKZQPUVFATJ-PGGZZLEZSA-N,"InChI=1S/C30H42O14/c31-14-30(40)15-42-29(27(30)39)41-13-23-24(36)25(37)26(38)28(44-23)43-18(8-5-17-7-10-20(33)22(35)12-17)4-2-1-3-16-6-9-19(32)21(34)11-16/h6-7,9-12,18,23-29,31-40H,1-5,8,13-15H2/t18-,23-,24-,25+,26-,27+,28-,29-,30-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](O[C@H](CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C30H42O14,pos_1_1proton1ammonium,626.257456024,WGXOKZQPUVFATJ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 14073,3523,-1,,,,0.8030851,ISDB,YAHBMCAACKWCEA-ATKQMNAUSA-N,"InChI=1S/C15H22O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h4,9-10,12-14,17H,5-7H2,1-3H3/b8-4+/t9-,10+,12-,13+,14+/m0/s1",C/C1=C\CC(=O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,,266.151809184,YAHBMCAACKWCEA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia argentea,1081054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argentea'],3,0,6.212340354919434 14074,3522,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 14075,3522,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 14076,3522,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 14077,3522,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 14078,3520,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_1_1proton1ammonium,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14079,3520,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_1_1proton,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14080,3519,-1,,,,0.0,MS1_match,DWELWHXSAQDFLO-NPUYFIEYSA-N,"InChI=1S/C33H50N2O2/c1-21(34-6)23-15-16-31(5)26-14-13-25-29(2,3)27(35(7)28(37)22-11-9-8-10-12-22)24(36)19-33(25)20-32(26,33)18-17-30(23,31)4/h8-12,21,23-27,34,36H,13-20H2,1-7H3/t21-,23+,24+,25-,26-,27-,30+,31-,32-,33+/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C,C33H50N2O2,pos_2_2proton,506.38722884,DWELWHXSAQDFLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 14081,3519,-1,,,,0.0,MS1_match,QYYVJMYMRMHFOG-CYBVICEPSA-N,"InChI=1S/C33H50N2O2/c1-22(35(6)7)25-16-19-32(5)26-13-14-27-30(2,3)28(34-29(36)23-11-9-8-10-12-23)17-20-33(27,37)21-24(26)15-18-31(25,32)4/h8-12,15,22,25-28,37H,13-14,16-21H2,1-7H3,(H,34,36)/t22-,25+,26+,27-,28-,31+,32-,33-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@]4(O)CC3=CC[C@]12C)N(C)C,C33H50N2O2,pos_2_2proton,506.38722884,QYYVJMYMRMHFOG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 14082,3518,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.92058444,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Anethum graveolens,378039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Anethum'],['Anethum graveolens'],5,3,10.182337760925293 14083,3518,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.92058444,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],5,3,10.182337760925293 14084,3518,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.92058444,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Coriandrum sativum,2476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Coriandreae'],['Coriandrum'],['Coriandrum sativum'],5,3,10.182337760925293 14085,3518,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.92058444,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],5,3,10.182337760925293 14086,3518,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.92058444,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Petroselinum crispum,2485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Petroselinum'],['Petroselinum crispum'],5,3,10.182337760925293 14087,3517,1741,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.63675916,ISDB,XLKHKZCPVAHTFN-UHFFFAOYSA-N,"InChI=1S/C19H18O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,13,20-22H,6,12H2",O=C(C=C(O)C=Cc1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O4,,310.120509056,XLKHKZCPVAHTFN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia roxburghii,3946068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia roxburghii'],4,3,8.04703664779663 14088,3517,1741,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.63675916,ISDB,XLKHKZCPVAHTFN-UHFFFAOYSA-N,"InChI=1S/C19H18O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,13,20-22H,6,12H2",O=C(C=C(O)C=Cc1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O4,,310.120509056,XLKHKZCPVAHTFN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia blepharocalyx,677525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia blepharocalyx'],4,3,8.04703664779663 14089,3517,1741,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.63675916,ISDB,XLKHKZCPVAHTFN-YLMKKNOUSA-N,"InChI=1S/C19H18O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,13,20-22H,6,12H2/b11-5+,18-13-",O=C(/C=C(O)/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O4,,310.12050905599995,XLKHKZCPVAHTFN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,3,8.04703664779663 14090,3517,1741,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.63675916,ISDB,XLKHKZCPVAHTFN-YLMKKNOUSA-N,"InChI=1S/C19H18O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,13,20-22H,6,12H2/b11-5+,18-13-",O=C(/C=C(O)/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O4,,310.12050905599995,XLKHKZCPVAHTFN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,3,8.04703664779663 14091,3516,549,Polyketides,Naphthalenes,Naphthalenones,0.65393287,ISDB,YVFDRXJKRIDQPY-QMMMGPOBSA-N,"InChI=1S/C11H12O3/c1-14-10-4-2-3-7-8(12)5-6-9(13)11(7)10/h2-4,8,12H,5-6H2,1H3/t8-/m0/s1",COc1cccc2c1C(=O)CC[C@@H]2O,C11H12O3,,192.078644244,YVFDRXJKRIDQPY,Polyketides,Naphthalenes,Naphthalenones,Garcinia atroviridis,724104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia atroviridis'],4,3,8.115731477737427 14092,3514,399,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FBMFMDSVTBIJPB-CKTRUMDJSA-N,"InChI=1S/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38)/t20-,23+,24-,25+,26-,27-,28-,30+,31+,32-,33+/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]12C)N(C)C,C33H46N2O4,pos_1_1proton1methanol,534.345757952,FBMFMDSVTBIJPB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,8.5 14093,3513,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.3085121,ISDB,BDMACDVLTOBWFC-QCWIYXSRSA-N,"InChI=1S/C30H22O12/c31-13-7-20(37)24-22(8-13)40-28(12-2-4-16(33)19(36)6-12)30(24)25-23(41-29(30)39)10-17(34)14-9-21(38)26(42-27(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26,28,31-38H,9H2/t21-,26-,28-,30+/m1/s1",O=C1Oc2cc(O)c3c(c2[C@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)c(O)c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3,C30H22O12,,574.111126144,BDMACDVLTOBWFC,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,8.73404836654663 14094,3511,1198,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1sodium,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 14095,3511,1198,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1sodium,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 14096,3511,1198,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1sodium,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 14097,3511,1198,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,MFQIWHVVFBCURA-ITSUVCJSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O10,pos_1_1sodium,434.1212969039998,MFQIWHVVFBCURA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 14098,3511,1198,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,MFQIWHVVFBCURA-ITSUVCJSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O10,pos_1_1sodium,434.1212969039998,MFQIWHVVFBCURA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 14099,3511,1198,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,MFQIWHVVFBCURA-ITSUVCJSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O10,pos_1_1sodium,434.1212969039998,MFQIWHVVFBCURA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 14100,3510,1203,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.36501828,ISDB,MBPGDDYEFPQJLT-AATRIKPKSA-N,"InChI=1S/C10H12O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-7,11H,1-2H3/b6-5+",COc1ccc(/C=C/O)cc1OC,C10H12O3,,180.078644244,MBPGDDYEFPQJLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus,836788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Unknown'],5,3,7.960073113441467 14101,3508,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.25437653,ISDB,IWGKJEFGMDTVIL-DUXPYHPUSA-N,"InChI=1S/C19H20O4/c20-16(11-7-15-8-12-18(22)19(23)13-15)4-2-1-3-14-5-9-17(21)10-6-14/h2,4-6,8-10,12-13,21-23H,1,3,7,11H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)c(O)c1,C19H20O4,,312.13615912,IWGKJEFGMDTVIL,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,9.517506122589111 14102,3507,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 14103,3507,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 14104,3506,1046,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GEAWMJGSGZLRQM-IADDMXJJSA-N,"InChI=1S/C25H31NO9/c1-2-12-15-8-16-14-9-18(29)17(28)7-11(14)5-6-26(16)24(33)13(15)3-4-19(12)34-25-23(32)22(31)21(30)20(10-27)35-25/h2-3,7,9,12,15-16,19-23,25,27-32H,1,4-6,8,10H2/t12-,15+,16-,19-,20-,21-,22+,23-,25-/m1/s1",C=C[C@@H]1[C@@H]2C[C@@H]3c4cc(O)c(O)cc4CCN3C(=O)C2=CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H31NO9,pos_1_1proton1acetonitrile,489.199881572,GEAWMJGSGZLRQM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,3,7.5 14105,3505,2549,Amino acids and Peptides,Steroids,Pregnane steroids,0.4272985,ISDB,DZMMOKIPXHQOJN-KXVCVXEUSA-N,"InChI=1S/C32H43NO4/c1-7-19(2)14-21(4)27-22(5)16-31(6)15-20(3)8-13-26(31)28(27)29(35)25-18-32(37,33-30(25)36)17-23-9-11-24(34)12-10-23/h9-12,14,16,18-20,26-28,34,37H,7-8,13,15,17H2,1-6H3,(H,33,36)/b21-14+/t19?,20-,26+,27-,28+,31+,32?/m0/s1",CCC(C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=CC(O)(Cc2ccc(O)cc2)NC1=O,C32H43NO4,,505.319208856,DZMMOKIPXHQOJN,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Talaromyces ruber,370467.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Talaromyces'],['Talaromyces ruber'],1,1,3.2091939449310303 14106,3505,2549,Amino acids and Peptides,Steroids,Pregnane steroids,0.4272985,ISDB,DZMMOKIPXHQOJN-KXVCVXEUSA-N,"InChI=1S/C32H43NO4/c1-7-19(2)14-21(4)27-22(5)16-31(6)15-20(3)8-13-26(31)28(27)29(35)25-18-32(37,33-30(25)36)17-23-9-11-24(34)12-10-23/h9-12,14,16,18-20,26-28,34,37H,7-8,13,15,17H2,1-6H3,(H,33,36)/b21-14+/t19?,20-,26+,27-,28+,31+,32?/m0/s1",CCC(C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=CC(O)(Cc2ccc(O)cc2)NC1=O,C32H43NO4,,505.319208856,DZMMOKIPXHQOJN,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Penicillium rubrum,5310758.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium rubrum'],1,1,3.2091939449310303 14107,3505,2549,Amino acids and Peptides,Steroids,Pregnane steroids,0.4272985,ISDB,DZMMOKIPXHQOJN-CVSIESPISA-N,"InChI=1S/C32H43NO4/c1-7-19(2)14-21(4)27-22(5)16-31(6)15-20(3)8-13-26(31)28(27)29(35)25-18-32(37,33-30(25)36)17-23-9-11-24(34)12-10-23/h9-12,14,16,18-20,26-28,34,37H,7-8,13,15,17H2,1-6H3,(H,33,36)/b21-14+/t19-,20+,26-,27+,28+,31+,32+/m1/s1",CC[C@@H](C)/C=C(\C)[C@H]1C(C)=C[C@]2(C)C[C@@H](C)CC[C@@H]2[C@@H]1C(=O)C1=C[C@@](O)(Cc2ccc(O)cc2)NC1=O,C32H43NO4,,505.319208856,DZMMOKIPXHQOJN,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Penicillium convolutum,527376.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Talaromyces'],['Talaromyces convolutus'],1,1,3.2091939449310303 14108,3505,2549,Amino acids and Peptides,Steroids,Pregnane steroids,0.4272985,ISDB,DZMMOKIPXHQOJN-CVSIESPISA-N,"InChI=1S/C32H43NO4/c1-7-19(2)14-21(4)27-22(5)16-31(6)15-20(3)8-13-26(31)28(27)29(35)25-18-32(37,33-30(25)36)17-23-9-11-24(34)12-10-23/h9-12,14,16,18-20,26-28,34,37H,7-8,13,15,17H2,1-6H3,(H,33,36)/b21-14+/t19-,20+,26-,27+,28+,31+,32+/m1/s1",CC[C@@H](C)/C=C(\C)[C@H]1C(C)=C[C@]2(C)C[C@@H](C)CC[C@@H]2[C@@H]1C(=O)C1=C[C@@](O)(Cc2ccc(O)cc2)NC1=O,C32H43NO4,,505.319208856,DZMMOKIPXHQOJN,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Talaromyces convolutus,527376.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Talaromyces'],['Talaromyces convolutus'],1,1,3.2091939449310303 14109,3504,3311,Terpenoids,Coumarins,Isocoumarins,0.29636267,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,1,7.6854506731033325 14110,3501,-1,,,,0.0,MS1_match,ZMMCRUZQJGEEQT-UHFFFAOYSA-N,"InChI=1S/C26H38O10/c1-12-19(32)10-17-21(34-13(2)28)20-16(11-27)18(31)8-9-25(20,7)22(35-14(3)29)23(36-15(4)30)26(12,33)24(17,5)6/h12,17-18,21-23,27,31,33H,8-11H2,1-7H3",CC(=O)OC1C2=C(CO)C(O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C2(O)C(C)C(=O)CC1C2(C)C,C26H38O10,pos_1_1sodium,510.246497416,ZMMCRUZQJGEEQT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 14111,3501,-1,,,,0.0,MS1_match,SPZNJROAHQUYLY-ICGYVOCMSA-N,"InChI=1S/C26H38O10/c1-11-16(30)9-18(32)25(8)20(11)22(34-13(3)27)26(24(6,7)36-15(5)29)10-17(31)12(2)19(26)21(33)23(25)35-14(4)28/h16-18,20-23,30-33H,1,9-10H2,2-8H3/t16-,17-,18-,20-,21+,22-,23-,25+,26-/m0/s1",C=C1[C@@H](O)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@]3(C(C)(C)OC(C)=O)[C@@H](OC(C)=O)[C@H]12,C26H38O10,pos_1_1sodium,510.246497416,SPZNJROAHQUYLY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,0,6.0 14112,3500,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZMMCRUZQJGEEQT-UHFFFAOYSA-N,"InChI=1S/C26H38O10/c1-12-19(32)10-17-21(34-13(2)28)20-16(11-27)18(31)8-9-25(20,7)22(35-14(3)29)23(36-15(4)30)26(12,33)24(17,5)6/h12,17-18,21-23,27,31,33H,8-11H2,1-7H3",CC(=O)OC1C2=C(CO)C(O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C2(O)C(C)C(=O)CC1C2(C)C,C26H38O10,pos_1_1proton1ammonium,510.246497416,ZMMCRUZQJGEEQT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 14113,3500,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SPZNJROAHQUYLY-ICGYVOCMSA-N,"InChI=1S/C26H38O10/c1-11-16(30)9-18(32)25(8)20(11)22(34-13(3)27)26(24(6,7)36-15(5)29)10-17(31)12(2)19(26)21(33)23(25)35-14(4)28/h16-18,20-23,30-33H,1,9-10H2,2-8H3/t16-,17-,18-,20-,21+,22-,23-,25+,26-/m0/s1",C=C1[C@@H](O)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@]3(C(C)(C)OC(C)=O)[C@@H](OC(C)=O)[C@H]12,C26H38O10,pos_1_1proton1ammonium,510.246497416,SPZNJROAHQUYLY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 14114,3500,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LYABGXKDPSCBMO-QIZUAGTFSA-N,"InChI=1S/C24H38O10/c1-10-15(29)8-24(22(4,5)32)17(10)19(30)21(34-12(3)27)23(6)16(33-11(2)26)7-14(28)13(9-25)18(23)20(24)31/h13-16,18-21,25,28-32H,7-9H2,1-6H3/t13-,14+,15+,16+,18+,19-,20+,21+,23-,24+/m1/s1",CC(=O)O[C@H]1C[C@H](O)[C@@H](CO)[C@H]2[C@H](O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(C)=O)[C@@]21C,C24H38O10,pos_1_1proton1acetonitrile,486.2464974159998,LYABGXKDPSCBMO,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 14115,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XAEXDDRZTSBTMR-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-22(35)25(41-20(33)9-6-16-4-7-17(32)8-5-16)27(42-19,12-38-14(2)30)43-26-24(39-15(3)31)23(36)21(34)18(10-28)40-26/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,XAEXDDRZTSBTMR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14116,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14117,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14118,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OYHUIOMLUYPLSY-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-10-18-21(34)23(36)24(39-15(3)31)26(40-18)43-27(12-28)25(22(35)19(42-27)11-38-14(2)30)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,OYHUIOMLUYPLSY,Terpenoids,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14119,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 14120,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14121,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14122,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14123,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14124,3498,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14125,3497,-1,,,,0.0,MS1_match,HVTVSIKZCOWXGV-NFIBHMIBSA-N,"InChI=1S/C30H34O17/c1-10-20(35)23(38)25(40)29(43-10)42-9-18-21(36)24(39)28(44-11(2)31)30(46-18)47-27-22(37)19-15(34)7-13(32)8-17(19)45-26(27)12-4-5-14(33)16(6-12)41-3/h4-8,10,18,20-21,23-25,28-30,32-36,38-40H,9H2,1-3H3/t10-,18-,20+,21-,23-,24+,25+,28-,29-,30+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)ccc1O,C30H34O17,pos_1_1proton,666.179599628,HVTVSIKZCOWXGV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 14126,3496,625,Polyketides,Macrolides,Ansa macrolides,0.34342152,ISDB,OPQNCARIZFLNLF-JBHFWYGFSA-N,"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1",COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,C32H43ClN2O9,,634.265708636,OPQNCARIZFLNLF,Polyketides,Macrolides,Ansa macrolides,Thamnobryum sandei,299701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Hypnales'],['Neckeraceae'],['Unknown'],['Thamnobryum'],['Thamnobryum sandei'],3,3,5.873686075210571 14127,3496,625,Polyketides,Macrolides,Ansa macrolides,0.34342152,ISDB,OPQNCARIZFLNLF-JBHFWYGFSA-N,"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1",COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,C32H43ClN2O9,,634.265708636,OPQNCARIZFLNLF,Polyketides,Macrolides,Ansa macrolides,Thamnobryum subseriatum,3859928.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Hypnales'],['Neckeraceae'],['Unknown'],['Thamnobryum'],['Thamnobryum subseriatum'],3,3,5.873686075210571 14128,3496,625,Polyketides,Macrolides,Ansa macrolides,0.34342152,ISDB,OPQNCARIZFLNLF-JBHFWYGFSA-N,"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1",COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2,C32H43ClN2O9,,634.265708636,OPQNCARIZFLNLF,Polyketides,Macrolides,Ansa macrolides,Isothecium subdiversiforme,107237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Hypnales'],['Lembophyllaceae'],['Unknown'],['Isothecium'],['Isothecium subdiversiforme'],3,3,5.873686075210571 14129,3495,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,ZMMCRUZQJGEEQT-UHFFFAOYSA-N,"InChI=1S/C26H38O10/c1-12-19(32)10-17-21(34-13(2)28)20-16(11-27)18(31)8-9-25(20,7)22(35-14(3)29)23(36-15(4)30)26(12,33)24(17,5)6/h12,17-18,21-23,27,31,33H,8-11H2,1-7H3",CC(=O)OC1C2=C(CO)C(O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C2(O)C(C)C(=O)CC1C2(C)C,C26H38O10,pos_1_1proton1ethylamine,510.246497416,ZMMCRUZQJGEEQT,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,3,7.5 14130,3495,2376,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,SPZNJROAHQUYLY-ICGYVOCMSA-N,"InChI=1S/C26H38O10/c1-11-16(30)9-18(32)25(8)20(11)22(34-13(3)27)26(24(6,7)36-15(5)29)10-17(31)12(2)19(26)21(33)23(25)35-14(4)28/h16-18,20-23,30-33H,1,9-10H2,2-8H3/t16-,17-,18-,20-,21+,22-,23-,25+,26-/m0/s1",C=C1[C@@H](O)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@]3(C(C)(C)OC(C)=O)[C@@H](OC(C)=O)[C@H]12,C26H38O10,pos_1_1proton1ethylamine,510.246497416,SPZNJROAHQUYLY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,3,7.5 14131,3494,399,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.308106,ISDB,CWLKIXLDBPFKPT-JQIUNSHOSA-N,"InChI=1S/C32H54O7/c1-21(2)11-10-18-30(7,35)26-17-20-31(8)28(37-26)15-13-24(38-31)22(3)12-14-27(36-23(4)33)32(9)19-16-25(39-32)29(5,6)34/h11,24-28,34-35H,3,10,12-20H2,1-2,4-9H3/t24-,25-,26-,27-,28-,30+,31+,32+/m1/s1",C=C(CC[C@@H](OC(C)=O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]2(C)O1,C32H54O7,,550.386954068,CWLKIXLDBPFKPT,Terpenoids,Polyethers,Oxasqualenoids,Laurencia viridis,904418.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Laurencia'],['Laurencia viridis'],2,0,3.232424020767212 14132,3492,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 14133,3492,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 14134,3492,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 14135,3492,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 14136,3492,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 14137,3492,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 14138,3491,1954,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.6699241,ISDB,KFZDTDKRRFEMEK-NSHDSACASA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,5-8H2,1-4H3/t11-/m0/s1",CC(=O)CCC1=C(C)C[C@H](O)CC1(C)C,C13H22O2,,210.161979944,KFZDTDKRRFEMEK,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Chamaecyparis formosensis,800340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis formosensis'],5,3,9.179696321487427 14139,3490,-1,,,,0.0,MS1_match,CNGYJVQXFQKXOK-UHFFFAOYSA-N,"InChI=1S/C22H20O8/c1-12(24)28-11-17-16-7-14(10-23)8-20(27-4)22(16)30-21(17)15-5-6-18(29-13(2)25)19(9-15)26-3/h5-10H,11H2,1-4H3",COc1cc(-c2oc3c(OC)cc(C=O)cc3c2COC(C)=O)ccc1OC(C)=O,C22H20O8,pos_2_2proton,412.1158176,CNGYJVQXFQKXOK,Shikimates and Phenylpropanoids,Lignans,,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],6,0,6.0 14140,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XAEXDDRZTSBTMR-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-22(35)25(41-20(33)9-6-16-4-7-17(32)8-5-16)27(42-19,12-38-14(2)30)43-26-24(39-15(3)31)23(36)21(34)18(10-28)40-26/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,XAEXDDRZTSBTMR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14141,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14142,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14143,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OYHUIOMLUYPLSY-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-10-18-21(34)23(36)24(39-15(3)31)26(40-18)43-27(12-28)25(22(35)19(42-27)11-38-14(2)30)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,OYHUIOMLUYPLSY,Terpenoids,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14144,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 14145,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14146,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1proton1ammonium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14147,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14148,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1proton1ammonium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14149,3489,1881,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1proton1ammonium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14150,3487,242,Terpenoids,Apocarotenoids,Megastigmanes,0.4028698,ISDB,UUZCXSITKYJQNT-DHVAKAPCSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11-18,20-24H,8-9H2,1-4H3/b6-5+/t11?,12?,13?,14-,15-,16+,17-,18-/m1/s1",CC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)C1/C=C/C(C)O,C19H32O7,,372.214803364,UUZCXSITKYJQNT,Terpenoids,Apocarotenoids,Megastigmanes,Picris hieracioides,977940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Picris'],['Picris hieracioides'],3,3,6.111479163169861 14151,3486,-1,,,,0.2635434,ISDB,RALIZCWZKRCHJQ-VTSXBNNFSA-N,"InChI=1S/C19H35N3O2/c1-3-4-5-6-7-11-18-16-19(24)21-13-10-15-22(17(2)23)14-9-8-12-20-18/h7,11,18,20H,3-6,8-10,12-16H2,1-2H3,(H,21,24)/b11-7-/t18-/m0/s1",CCCCC/C=C\[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1,C19H35N3O2,,337.27292736,RALIZCWZKRCHJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Monteverdia loeseneri,5750134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia loeseneri'],4,0,5.054173588752747 14152,3485,-1,,,,0.6679379,ISDB,PXBSRTRBLUYJQB-MRDFRTQHSA-N,"InChI=1S/C20H28O4/c1-10-8-19-9-16(22)20(24)14(7-15(21)18(20,3)4)11(2)13(19)6-5-12(10)17(19)23/h8,12-14,16-17,22-24H,2,5-7,9H2,1,3-4H3/t12-,13-,14-,16+,17+,19+,20-/m0/s1",C=C1[C@@H]2CC[C@H]3C(C)=C[C@]2(C[C@@H](O)[C@@]2(O)[C@H]1CC(=O)C2(C)C)[C@@H]3O,C20H28O4,,332.198759376,PXBSRTRBLUYJQB,Terpenoids,Diterpenoids,Grayanotoxane diterpenoids,Leucothoe grayana,673006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Gaultherieae'],['Eubotryoides'],['Eubotryoides grayana'],5,0,7.671751499176025 14153,3482,-1,,,,0.4686211,ISDB,KRHBEUBWGJIBAY-CZTPYVPVSA-N,"InChI=1S/C33H38O12/c1-19(34)41-18-32-23(43-24(36)14-13-21-10-7-6-8-11-21)15-16-31(5,39)33(32)27(42-20(2)35)25(30(3,4)45-33)26(37)28(32)44-29(38)22-12-9-17-40-22/h6-14,17,23,25-28,37,39H,15-16,18H2,1-5H3/b14-13+/t23-,25+,26+,27+,28+,31-,32-,33-/m0/s1",CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](O)[C@H]2OC(=O)c1ccco1)[C@H]3OC(C)=O,C33H38O12,,626.236326656,KRHBEUBWGJIBAY,Terpenoids,Sesquiterpenoids,Agarofuran sesquiterpenoids,Tripterygium wilfordii,300831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Tripterygium'],['Tripterygium wilfordii'],4,0,5.874484419822693 14154,3481,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 14155,3481,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 14156,3481,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 14157,3481,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 14158,3481,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 14159,3481,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 14160,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum tectorum,286742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum tectorum'],5,3,9.640607357025146 14161,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum arachnoideum,5729872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum arachnoideum'],5,3,9.640607357025146 14162,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum sexangulare,810622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sexangulare'],5,3,9.640607357025146 14163,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum ciliosum,1069756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum ciliosum'],5,3,9.640607357025146 14164,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum thompsonianum,5729848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum thompsonianum'],5,3,9.640607357025146 14165,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Jovibarba heuffelii,1085008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Jovibarba'],['Jovibarba heuffelii'],5,3,9.640607357025146 14166,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum album,387654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum album'],5,3,9.640607357025146 14167,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum pumilum,5729873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum pumilum'],5,3,9.640607357025146 14168,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum calcareum,5729871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum calcareum'],5,3,9.640607357025146 14169,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum laconicum,134394.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum laconicum'],5,3,9.640607357025146 14170,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum sediforme,595187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sediforme'],5,3,9.640607357025146 14171,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum crassularia,595187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sediforme'],5,3,9.640607357025146 14172,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum montanum,5326548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum montanum'],5,3,9.640607357025146 14173,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum rupestre,810627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum rupestre'],5,3,9.640607357025146 14174,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum altum,5729855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum altum'],5,3,9.640607357025146 14175,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum borissovae,5729845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum borissovae'],5,3,9.640607357025146 14176,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ribes alpinum,1034763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes alpinum'],5,3,9.640607357025146 14177,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum litoreum,5729768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum litoreum'],5,3,9.640607357025146 14178,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum ursi,5326529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum ursi'],5,3,9.640607357025146 14179,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum ingwersenii,5729859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum ingwersenii'],5,3,9.640607357025146 14180,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum marmoreum,286752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum marmoreum'],5,3,9.640607357025146 14181,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ribes uva-crispa,163280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes uva-crispa'],5,3,9.640607357025146 14182,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],5,3,9.640607357025146 14183,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum ossetiense,5729857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum ossetiense'],5,3,9.640607357025146 14184,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum dzhavachischvilii,5729860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum dzhavachischvilii'],5,3,9.640607357025146 14185,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum caucasicum,5729864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum caucasicum'],5,3,9.640607357025146 14186,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum grandiflorum,5729850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum grandiflorum'],5,3,9.640607357025146 14187,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum forsterianum,761199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum forsterianum'],5,3,9.640607357025146 14188,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum brevifolium,5326545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum brevifolium'],5,3,9.640607357025146 14189,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum montanum,5326527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum montanum'],5,3,9.640607357025146 14190,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum grisebachii,5729761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum grisebachii'],5,3,9.640607357025146 14191,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum euxinum,6043588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum euxinum'],5,3,9.640607357025146 14192,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum furseorum,5729868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum furseorum'],5,3,9.640607357025146 14193,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum meyeri-johannis,575087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum meyeri-johannis'],5,3,9.640607357025146 14194,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tiarella trifoliata,890098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Tiarella'],['Tiarella trifoliata'],5,3,9.640607357025146 14195,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum kindingeri,5729869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum leucanthum'],5,3,9.640607357025146 14196,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum leucanthum,5729869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum leucanthum'],5,3,9.640607357025146 14197,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum ochroleucum,3943179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum ochroleucum'],5,3,9.640607357025146 14198,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum farinosum,134406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum farinosum'],5,3,9.640607357025146 14199,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum multiceps,810638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum multiceps'],5,3,9.640607357025146 14200,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sempervivum atlanticum,5740699.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum tectorum'],5,3,9.640607357025146 14201,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phedimus kamtschaticus,656482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus kamtschaticus'],5,3,9.640607357025146 14202,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],5,3,9.640607357025146 14203,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],5,3,9.640607357025146 14204,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phedimus aizoon,308119.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus aizoon'],5,3,9.640607357025146 14205,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum takesimense,656482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus kamtschaticus'],5,3,9.640607357025146 14206,3478,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78515184,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sedum anglicum,1042733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum anglicum'],5,3,9.640607357025146 14207,3476,1997,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.23125239,ISDB,XMZKGYUPPWJMNS-RMKNXTFCSA-N,"InChI=1S/C16H25N3O2/c17-10-3-12-18-11-1-2-13-19-16(21)9-6-14-4-7-15(20)8-5-14/h4-9,18,20H,1-3,10-13,17H2,(H,19,21)/b9-6+",NCCCNCCCCNC(=O)/C=C/c1ccc(O)cc1,C16H25N3O2,,291.19467704,XMZKGYUPPWJMNS,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],4,1,5.425009548664093 14208,3474,1318,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,0.792052,ISDB,KTPOZFYJWLGJGH-COMQUAJESA-N,"InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12+,13-,15+/m1/s1",CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C,C15H22O,,218.167065324,KTPOZFYJWLGJGH,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,10.668207883834839 14209,3473,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.6066215,ISDB,OAGXTVOZBKKJKA-KRWDZBQOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,17,20,22-24H,3-4,8-9,12H2/t17-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O5,,330.1467238039999,OAGXTVOZBKKJKA,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],3,3,6.926486015319824 14210,3473,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.6066215,ISDB,OAGXTVOZBKKJKA-KRWDZBQOSA-N,"InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,17,20,22-24H,3-4,8-9,12H2/t17-/m0/s1",O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O5,,330.1467238039999,OAGXTVOZBKKJKA,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],3,3,6.926486015319824 14211,3471,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.66342115,ISDB,QMNXHFYGMWHEEN-UHFFFAOYSA-N,"InChI=1S/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,10,12,14,17H,4H2,1-3H3",CC1=CC(=O)C2=C(C)CC(O)C3=C(C)C(=O)OC3C12,C15H16O4,,260.104858992,QMNXHFYGMWHEEN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Salvia nubicola,861978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia nubicola'],3,3,7.153684616088867 14212,3471,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.66342115,ISDB,QMNXHFYGMWHEEN-SCDSUCTJSA-N,"InChI=1S/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,10,12,14,17H,4H2,1-3H3/t10-,12+,14-/m1/s1",CC1=CC(=O)C2=C(C)C[C@@H](O)C3=C(C)C(=O)O[C@@H]3[C@@H]12,C15H16O4,,260.104858992,QMNXHFYGMWHEEN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Guillonea scabra,1047472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Thapsia'],['Thapsia scabra'],3,3,7.153684616088867 14213,3471,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.66342115,ISDB,QMNXHFYGMWHEEN-SCDSUCTJSA-N,"InChI=1S/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,10,12,14,17H,4H2,1-3H3/t10-,12+,14-/m1/s1",CC1=CC(=O)C2=C(C)C[C@@H](O)C3=C(C)C(=O)O[C@@H]3[C@@H]12,C15H16O4,,260.104858992,QMNXHFYGMWHEEN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Thapsia scabra,1047472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Thapsia'],['Thapsia scabra'],3,3,7.153684616088867 14214,3470,1112,,,,0.54513925,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1805570125579834 14215,3469,1821,Alkaloids,Lysine alkaloids,,0.6681233,ISDB,CJAWLAWAWJGSJC-HULLSVINSA-N,"InChI=1S/C17H30N2O2/c1-13-10-14(12-15-6-3-4-8-18(15)20)16-7-5-9-19(2,21)17(16)11-13/h13-14,16-17H,3-12H2,1-2H3/t13-,14+,16-,17-,19+/m1/s1",C[C@@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@H]2CCC[N@+](C)([O-])[C@@H]2C1,C17H30N2O2,,294.2307282,CJAWLAWAWJGSJC,Alkaloids,Lysine alkaloids,,Huperzia serrata,643276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Huperzia'],['Huperzia serrata'],3,2,6.67249321937561 14216,3468,-1,,,,0.58819455,ISDB,HUHYPGHUVADQQH-UHFFFAOYSA-N,"InChI=1S/C24H34O/c1-9-17-15-19(23(3,4)5)11-13-21(17)25-22-14-12-20(24(6,7)8)16-18(22)10-2/h11-16H,9-10H2,1-8H3",CCc1cc(C(C)(C)C)ccc1Oc1ccc(C(C)(C)C)cc1CC,C24H34O,,338.260965708,HUHYPGHUVADQQH,Polyketides,,,Basella alba,63162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Basellaceae'],['Unknown'],['Basella'],['Basella alba'],4,0,6.352778196334839 14217,3467,398,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,pos_2_2proton,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14218,3466,502,Shikimates and Phenylpropanoids,Isoflavonoids,Azaphilones,0.54630876,ISDB,GLPDBGACWOZVNL-ZETCQYMHSA-N,"InChI=1S/C9H8O4/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-3,7,10-11H,4H2/t7-/m0/s1",O=C1c2ccc(O)cc2OC[C@@H]1O,C9H8O4,,180.042258736,GLPDBGACWOZVNL,Shikimates and Phenylpropanoids,Isoflavonoids,,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],4,2,7.185235023498535 14219,3465,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,2,10.0 14220,3465,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,2,10.0 14221,3465,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,2,10.0 14222,3464,1844,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.55018324,ISDB,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,12.700732946395874 14223,3464,1844,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.55018324,ISDB,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,12.700732946395874 14224,3464,1844,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.55018324,ISDB,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,12.700732946395874 14225,3463,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,LMHMWINKBZRNRU-UHFFFAOYSA-N,"InChI=1S/C29H36O7/c1-16-19(30)15-29(35)25(33)23-17(2)20(36-21(31)12-11-18-9-7-6-8-10-18)13-14-28(23,5)26(34)24(32)22(16)27(29,3)4/h6-12,20,23-26,32-35H,2,13-15H2,1,3-5H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C29H36O7,pos_1_1proton1ethylamine,496.2461034919999,LMHMWINKBZRNRU,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 14226,3462,2549,Amino acids and Peptides,Steroids,Pregnane steroids,0.0,MS1_match,RRIHUBBCYOKLFC-XZELNKRSSA-N,"InChI=1S/C30H48N2O5/c1-9-16(2)27(35)31-25-23(34)15-29(6)22-12-13-28(5)20(17(3)32(7)8)10-11-21(28)19(22)14-24-30(29,37-24)26(25)36-18(4)33/h9,17,19-26,34H,10-15H2,1-8H3,(H,31,35)/b16-9+/t17-,19-,20+,21-,22-,23-,24-,25-,26-,28+,29+,30+/m0/s1",C/C=C(\C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32[C@H]1OC(C)=O,C30H48N2O5,pos_2MCa,516.356322636,RRIHUBBCYOKLFC,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,7.5 14227,3461,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.58482987,ISDB,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.839319467544556 14228,3460,2599,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8142935,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.757174015045166 14229,3456,-1,,,,0.0,MS1_match,FBJBPTHRQGMFOK-ZRAWXLKHSA-N,"InChI=1S/C30H40O13/c31-15-30(39)16-41-29(27(30)38)40-14-23-24(35)25(36)26(37)28(43-23)42-22(12-6-18-3-9-20(33)10-4-18)13-21(34)11-5-17-1-7-19(32)8-2-17/h1-4,7-10,22-29,31-33,35-39H,5-6,11-16H2/t22-,23+,24+,25-,26+,27-,28+,29+,30+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C30H40O13,pos_1_1sodium,608.2468913399999,FBJBPTHRQGMFOK,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 14230,3456,-1,,,,0.0,MS1_match,NUACGMYJCUJZFV-BYWUESOHSA-N,"InChI=1S/C30H40O13/c31-14-23-24(36)25(37)26(43-29-27(38)30(39,15-32)16-40-29)28(42-23)41-22(12-6-18-3-9-20(34)10-4-18)13-21(35)11-5-17-1-7-19(33)8-2-17/h1-4,7-10,22-29,31-34,36-39H,5-6,11-16H2/t22-,23+,24+,25-,26+,27-,28+,29-,30+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O,C30H40O13,pos_1_1sodium,608.24689134,NUACGMYJCUJZFV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 14231,3455,-1,,,,0.0,MS1_match,FBJBPTHRQGMFOK-ZRAWXLKHSA-N,"InChI=1S/C30H40O13/c31-15-30(39)16-41-29(27(30)38)40-14-23-24(35)25(36)26(37)28(43-23)42-22(12-6-18-3-9-20(33)10-4-18)13-21(34)11-5-17-1-7-19(32)8-2-17/h1-4,7-10,22-29,31-33,35-39H,5-6,11-16H2/t22-,23+,24+,25-,26+,27-,28+,29+,30+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C30H40O13,pos_1_1proton1ammonium,608.2468913399999,FBJBPTHRQGMFOK,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 14232,3455,-1,,,,0.0,MS1_match,NUACGMYJCUJZFV-BYWUESOHSA-N,"InChI=1S/C30H40O13/c31-14-23-24(36)25(37)26(43-29-27(38)30(39,15-32)16-40-29)28(42-23)41-22(12-6-18-3-9-20(34)10-4-18)13-21(35)11-5-17-1-7-19(33)8-2-17/h1-4,7-10,22-29,31-34,36-39H,5-6,11-16H2/t22-,23+,24+,25-,26+,27-,28+,29-,30+/m0/s1",O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O,C30H40O13,pos_1_1proton1ammonium,608.24689134,NUACGMYJCUJZFV,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 14233,3454,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.745756,ISDB,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.483023881912231 14234,3453,399,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.55646104,ISDB,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.725844144821167 14235,3451,242,Terpenoids,Apocarotenoids,Megastigmanes,0.21116433,ISDB,XDMRDCGPHBCDLB-DOETWJALSA-N,"InChI=1S/C18H28O8/c1-9(2)12(6-13(20)10(3)4)7-25-18-17(23)16(22)15(21)14(26-18)8-24-11(5)19/h12,14-18,21-23H,1,3,6-8H2,2,4-5H3/t12-,14+,15+,16-,17+,18+/m0/s1",C=C(C)C(=O)C[C@@H](CO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)C(=C)C,C18H28O8,,372.1784178559999,XDMRDCGPHBCDLB,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Helenium donianum,7604631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium donianum'],3,1,4.344657301902771 14236,3450,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7689683,ISDB,HIEGBZPNSCMIJU-IHXOVPCESA-N,"InChI=1S/C36H56N2O5/c1-22(37(5)6)24-12-14-34(4)28-11-10-27-32(2,21-39)29(13-15-35(27)20-36(28,35)17-16-33(24,34)3)38(7)31(41)23-18-25(42-8)30(40)26(19-23)43-9/h18-19,22,24,27-29,39-40H,10-17,20-21H2,1-9H3/t22-,24+,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1",COc1cc(C(=O)N(C)[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C36H56N2O5,,596.418922892,HIEGBZPNSCMIJU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,11.575873136520386 14237,3449,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UGSOUBMAJZNSMP-NTJMZCLCSA-N,"InChI=1S/C33H48N2O3/c1-21(35(5)6)29-27(37)19-33(4)26-14-13-25-23(18-24(26)16-17-32(29,33)3)12-15-28(31(25,2)20-36)34-30(38)22-10-8-7-9-11-22/h7-11,16,18,21,25-29,36-37H,12-15,17,19-20H2,1-6H3,(H,34,38)/t21-,25-,26+,27-,28+,29+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@]4(C)CO)N(C)C,C33H48N2O3,pos_1_1proton1methanol,520.366493396,UGSOUBMAJZNSMP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14238,3447,-1,,,,0.95497435,ISDB,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,9.819897413253784 14239,3447,-1,,,,0.95497435,ISDB,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,9.819897413253784 14240,3446,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1sodium,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 14241,3446,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1sodium,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 14242,3444,1170,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5031912,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,9.512764692306519 14243,3443,-1,,,,0.0,MS1_match,VOXZDWNPVJITMN-PNKHAZJDSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16+,17-,18-/m0/s1",C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O,C18H24O2,pos_2_2proton,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 14244,3443,-1,,,,0.0,MS1_match,OKGZCXPDJKKZAP-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3",Cc1ccc(CO)cc1C,C9H12O,pos_1_1proton,136.088815004,OKGZCXPDJKKZAP,,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 14245,3443,-1,,,,0.0,MS1_match,PPBRXRYQALVLMV-UHFFFAOYSA-N,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",C=Cc1ccccc1,C8H8,pos_1_1proton1methanol,104.062600256,PPBRXRYQALVLMV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 14246,3442,-1,,,,0.54438645,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Chamaecyparis formosensis,800340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis formosensis'],5,0,7.177545785903931 14247,3442,-1,,,,0.54438645,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Chamaecyparis lawsoniana,582844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis lawsoniana'],5,0,7.177545785903931 14248,3442,-1,,,,0.54438645,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Xanthocyparis nootkatensis,603160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Callitropsis'],['Callitropsis nootkatensis'],5,0,7.177545785903931 14249,3442,-1,,,,0.54438645,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Callitropsis nootkatensis,603160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Callitropsis'],['Callitropsis nootkatensis'],5,0,7.177545785903931 14250,3442,-1,,,,0.54438645,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],5,0,7.177545785903931 14251,3440,300,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.5631624,ISDB,GKCAPZDBPLRKGW-NTZNESFSSA-N,"InChI=1S/C13H21N/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h6,10-11,13H,2-5,7-9H2,1H3/t10-,11+,13-/m1/s1",C[C@@H]1CC2=CCC[C@H]3CCC[C@H](C1)N23,C13H21N,,191.167399672,GKCAPZDBPLRKGW,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Coccinella septempunctata,343294.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Coccinellidae'],['Coccinellini'],['Coccinella'],['Coccinella septempunctata'],1,3,4.752649545669556 14252,3437,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 14253,3437,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 14254,3436,-1,,,,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1sodium,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 14255,3436,-1,,,,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1sodium,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 14256,3436,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 14257,3436,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1sodium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 14258,3435,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.27104944,ISDB,KTDAEZJBJUWAPC-RNCFNFMXSA-N,"InChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3/t9-,13+/m1/s1",C[C@@H]1C(=O)C=C2C(C)(C)CC=C[C@]21C,C13H18O,,190.135765196,KTDAEZJBJUWAPC,Terpenoids,Sesquiterpenoids,Hirsutane sesquiterpenoids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,2,9.084197759628296 14259,3434,-1,,,,0.3032414,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula sandai,920655.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula sandai'],1,0,2.2129656076431274 14260,3434,-1,,,,0.3032414,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Crassostrea gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,2.2129656076431274 14261,3434,-1,,,,0.3032414,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Magallana gigas,987409.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Ostreida'],['Ostreidae'],['Unknown'],['Magallana'],['Magallana gigas'],1,0,2.2129656076431274 14262,3434,-1,,,,0.3032414,ISDB,QOCBLJWPUILPNE-DGDOQUKGSA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1",CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1,C40H54O3,,582.407295588,QOCBLJWPUILPNE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Corbicula japonica,920654.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Venerida'],['Cyrenidae'],['Unknown'],['Corbicula'],['Corbicula japonica'],1,0,2.2129656076431274 14263,3432,-1,,,,0.0,MS1_match,SBZWTSHAFILOTE-KKUMJFAQSA-N,"InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15-/m0/s1",Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2O,C15H14O7,pos_1_1proton1methanol,306.073952788,SBZWTSHAFILOTE,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Magnolia denudata,881612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia denudata'],7,0,7.0 14264,3432,-1,,,,0.0,MS1_match,SBZWTSHAFILOTE-KKUMJFAQSA-N,"InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15-/m0/s1",Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2O,C15H14O7,pos_1_1proton1methanol,306.073952788,SBZWTSHAFILOTE,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Magnolia liliiflora,288469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia liliiflora'],7,0,7.0 14265,3431,-1,,,,0.0,MS1_match,NJMQSVWMCODQIP-FQXXIRCGSA-N,"InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,NJMQSVWMCODQIP,Shikimates and Phenylpropanoids,,,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],6,0,6.0 14266,3431,-1,,,,0.0,MS1_match,NJMQSVWMCODQIP-FQXXIRCGSA-N,"InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,NJMQSVWMCODQIP,Shikimates and Phenylpropanoids,,,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],6,0,6.0 14267,3427,-1,,,,0.0,MS1_match,KLLYDTMVSVIJEH-YYMOATHLSA-N,"InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1potassium,328.1522031079999,KLLYDTMVSVIJEH,Shikimates and Phenylpropanoids,,,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],7,0,7.0 14268,3426,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 14269,3426,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 14270,3426,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 14271,3426,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 14272,3426,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 14273,3426,1176,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DLIKSSGEMUFQOK-SFTVRKLSSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.1212969039998,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,2,10.0 14274,3425,2583,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5617329,ISDB,BFFYUNVGUBDLOC-UHFFFAOYSA-N,"InChI=1S/C22H16O7/c23-13-5-1-11(2-6-13)9-15-16(25)10-17(26)18-19(27)20(28)21(29-22(15)18)12-3-7-14(24)8-4-12/h1-8,10,23-26,28H,9H2",O=c1c(O)c(-c2ccc(O)cc2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12,C22H16O7,,392.0896028519998,BFFYUNVGUBDLOC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Bletilla formosana,386665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Arethuseae'],['Bletilla'],['Bletilla formosana'],3,3,6.746931552886963 14275,3425,2583,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5617329,ISDB,BFFYUNVGUBDLOC-UHFFFAOYSA-N,"InChI=1S/C22H16O7/c23-13-5-1-11(2-6-13)9-15-16(25)10-17(26)18-19(27)20(28)21(29-22(15)18)12-3-7-14(24)8-4-12/h1-8,10,23-26,28H,9H2",O=c1c(O)c(-c2ccc(O)cc2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12,C22H16O7,,392.0896028519998,BFFYUNVGUBDLOC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Thymus willdenowii,5144711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus striatus'],3,3,6.746931552886963 14276,3425,2583,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5617329,ISDB,BFFYUNVGUBDLOC-UHFFFAOYSA-N,"InChI=1S/C22H16O7/c23-13-5-1-11(2-6-13)9-15-16(25)10-17(26)18-19(27)20(28)21(29-22(15)18)12-3-7-14(24)8-4-12/h1-8,10,23-26,28H,9H2",O=c1c(O)c(-c2ccc(O)cc2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12,C22H16O7,,392.0896028519998,BFFYUNVGUBDLOC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Thymus hirtus,626525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia aegyptiaca'],3,3,6.746931552886963 14277,3420,646,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.6407129,ISDB,,,,,,,FFLAVJHURVPIJO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.562851667404175 14278,3418,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-UHFFFAOYSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3",CC1=C(C)C2CCC1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14279,3418,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-DTORHVGOSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+",CC1=C(C)[C@H]2CC[C@@H]1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14280,3418,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_1_1proton,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14281,3418,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_1_1proton,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,0,6.0 14282,3418,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_1_1proton,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 14283,3417,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,0,7.0 14284,3416,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IPKKOHWMHMKNLP-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(27-6)20-13-15-26(5)22-10-9-21-18(8-11-23(28-7)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23,27-28H,8-11,13-15H2,1-7H3",CNC(C)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(NC)C4(C)C,C26H44N2,pos_2_2proton,384.350449408,IPKKOHWMHMKNLP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14285,3416,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLRWQHLWCXUJEL-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3",CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C,C26H44N2,pos_2_2proton,384.350449408,JLRWQHLWCXUJEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14286,3416,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVGUDMTZIJXYDY-XSWJKVCQSA-N,"InChI=1S/C26H44N2/c1-17(27)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(28(6)7)24(21,2)3/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3/t17-,20+,21+,22+,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2,pos_2_2proton,384.350449408,UVGUDMTZIJXYDY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14287,3415,612,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,NMGLHCRCWAPJGC-RFGHRSJTSA-N,"InChI=1S/C15H22O9/c1-6-5-22-13(20)7-2-3-21-14(9(6)7)24-15-12(19)11(18)10(17)8(4-16)23-15/h2-3,6-12,14-19H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,14-,15-/m0/s1",C[C@H]1COC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1acetonitrile,346.126382284,NMGLHCRCWAPJGC,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 14288,3415,612,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,NZUIJGRMABSDPS-RNMKKKFZSA-N,"InChI=1S/C15H22O9/c1-5-8-6(10(18)9(5)17)2-3-22-14(8)24-15-13(21)12(20)11(19)7(4-16)23-15/h2-3,6-21H,1,4H2/t6-,7-,8-,9-,10+,11-,12+,13-,14+,15+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]2[C@H](O)[C@@H]1O,C15H22O9,pos_1_1proton1acetonitrile,346.126382284,NZUIJGRMABSDPS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,3,8.5 14289,3413,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.30209234,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,9.708369374275208 14290,3413,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.30209234,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,9.708369374275208 14291,3413,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.30209234,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,9.708369374275208 14292,3413,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.30209234,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,9.708369374275208 14293,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-FNINDUDTSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1",C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Machilus odoratissima,6026890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus odoratissima'],6,2,9.285370588302612 14294,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-OTBILJLCSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1",C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Machilus japonica,609875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus japonica'],6,2,9.285370588302612 14295,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-OTBILJLCSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1",C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Machilus obovatifolia,248722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea obovatifolia'],6,2,9.285370588302612 14296,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-OTBILJLCSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1",C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Licaria guianensis,971374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria guianensis'],6,2,9.285370588302612 14297,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-OTBILJLCSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1",C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Damburneya cufodontisii,6026959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya cufodontisii'],6,2,9.285370588302612 14298,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-OTBILJLCSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1",C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,2,9.285370588302612 14299,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-OTBILJLCSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1",C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba,297724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Unknown'],6,2,9.285370588302612 14300,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-FNINDUDTSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1",C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Ocotea porosa,5919678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea porosa'],6,2,9.285370588302612 14301,3411,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.57134265,ISDB,ITDOFWOJEDZPCF-OTBILJLCSA-N,"InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1",C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C20H22O4,,326.15180918399994,ITDOFWOJEDZPCF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Nectandra amazonum,545877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra amazonum'],6,2,9.285370588302612 14302,3408,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.21057944,ISDB,RUVSOOOCFVUYHV-UHFFFAOYSA-N,"InChI=1S/C18H17NO/c1-11-4-5-14-13(10-11)17-12-8-9-18(2,3)20-16(12)7-6-15(17)19-14/h4-5,7-10H,6H2,1-3H3",Cc1ccc2c(c1)C1=C3C=CC(C)(C)OC3=CCC1=N2,C18H17NO,,263.131014164,RUVSOOOCFVUYHV,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Glycosmis lanceolata,6125992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis lanceolata'],3,0,3.842317759990692 14303,3408,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.21057944,ISDB,RUVSOOOCFVUYHV-UHFFFAOYSA-N,"InChI=1S/C18H17NO/c1-11-4-5-14-13(10-11)17-12-8-9-18(2,3)20-16(12)7-6-15(17)19-14/h4-5,7-10H,6H2,1-3H3",Cc1ccc2c(c1)C1=C3C=CC(C)(C)OC3=CCC1=N2,C18H17NO,,263.131014164,RUVSOOOCFVUYHV,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Glycosmis mauritiana,181660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis mauritiana'],3,0,3.842317759990692 14304,3408,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.21057944,ISDB,RUVSOOOCFVUYHV-UHFFFAOYSA-N,"InChI=1S/C18H17NO/c1-11-4-5-14-13(10-11)17-12-8-9-18(2,3)20-16(12)7-6-15(17)19-14/h4-5,7-10H,6H2,1-3H3",Cc1ccc2c(c1)C1=C3C=CC(C)(C)OC3=CCC1=N2,C18H17NO,,263.131014164,RUVSOOOCFVUYHV,Alkaloids,Tryptophan alkaloids,Carbazole alkaloids,Glycosmis montana,6125998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis montana'],3,0,3.842317759990692 14305,3407,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75231117,ISDB,LSXMHNJGHRDFGB-MUGBGTHKSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,10-12,16H,4-5H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1",CC1=C[C@@H](O)[C@@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13,C15H18O4,,262.120509056,LSXMHNJGHRDFGB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Meeboldia yunnanensis,417161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Meeboldia'],['Meeboldia yunnanensis'],3,3,7.509244680404663 14306,3406,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.39460188,ISDB,YKGRPAXRFUOTAY-LLVKDONJSA-N,"InChI=1S/C15H16O3/c1-9-6-14(18-8-9)15(17)11(3)12-5-4-10(2)13(16)7-12/h4-8,11,16H,1-3H3/t11-/m1/s1",Cc1coc(C(=O)[C@H](C)c2ccc(C)c(O)c2)c1,C15H16O3,,244.109944372,YKGRPAXRFUOTAY,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,2,8.578407526016235 14307,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,0,7.498981952667236 14308,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],5,0,7.498981952667236 14309,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus canariensis,97777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus canariensis'],5,0,7.498981952667236 14310,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sabiniana,113478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sabiniana'],5,0,7.498981952667236 14311,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,7.498981952667236 14312,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus caribaea,4333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus caribaea'],5,0,7.498981952667236 14313,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],5,0,7.498981952667236 14314,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus lumholtzii,212480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lumholtzii'],5,0,7.498981952667236 14315,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus muricata,636909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus muricata'],5,0,7.498981952667236 14316,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus leiophylla,212477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus leiophylla'],5,0,7.498981952667236 14317,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus palustris,351667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus palustris'],5,0,7.498981952667236 14318,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus coulteri,1075721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus coulteri'],5,0,7.498981952667236 14319,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus rigida,636907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus rigida'],5,0,7.498981952667236 14320,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus aristata,786782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus aristata'],5,0,7.498981952667236 14321,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],5,0,7.498981952667236 14322,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],5,0,7.498981952667236 14323,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pinea,568639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinea'],5,0,7.498981952667236 14324,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus densata,227575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densata'],5,0,7.498981952667236 14325,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],5,0,7.498981952667236 14326,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],5,0,7.498981952667236 14327,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,0,7.498981952667236 14328,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus taeda,1075736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus taeda'],5,0,7.498981952667236 14329,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus echinata,212461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus echinata'],5,0,7.498981952667236 14330,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montezumae,837875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus montezumae'],5,0,7.498981952667236 14331,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus balfouriana,1044480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus balfouriana'],5,0,7.498981952667236 14332,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,7.498981952667236 14333,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],5,0,7.498981952667236 14334,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus jeffreyi,736886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus jeffreyi'],5,0,7.498981952667236 14335,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],5,0,7.498981952667236 14336,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus virginiana,263433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus virginiana'],5,0,7.498981952667236 14337,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus clausa,217118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus clausa'],5,0,7.498981952667236 14338,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinaceae,994067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Unknown'],['Unknown'],5,0,7.498981952667236 14339,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus krempfii,568623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus krempfii'],5,0,7.498981952667236 14340,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,0,7.498981952667236 14341,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pungens,636901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pungens'],5,0,7.498981952667236 14342,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus montana,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,7.498981952667236 14343,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,7.498981952667236 14344,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],5,0,7.498981952667236 14345,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3",COc1cc(O)cc(C=Cc2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,7.498981952667236 14346,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus contorta var. latifolia,5233692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,7.498981952667236 14347,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],5,0,7.498981952667236 14348,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus attenuata,786792.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus attenuata'],5,0,7.498981952667236 14349,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus glabra,104516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus glabra'],5,0,7.498981952667236 14350,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobiformis,262953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobiformis'],5,0,7.498981952667236 14351,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ayacahuite,786788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ayacahuite'],5,0,7.498981952667236 14352,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus occidentalis,635127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus occidentalis'],5,0,7.498981952667236 14353,3405,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6247455,ISDB,JVIXPWIEOVZVJC-BQYQJAHWSA-N,"InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+",COc1cc(O)cc(/C=C/c2ccccc2)c1,C15H14O2,,226.099379688,JVIXPWIEOVZVJC,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],5,0,7.498981952667236 14354,3404,1303,Shikimates and Phenylpropanoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,0.6394045,ISDB,TVHWZFSMYZPWDT-OCCSQVGLSA-N,"InChI=1S/C14H16O2/c1-9(2)12-7-13-10(6-14(12)16)4-3-5-11(13)8-15/h3-5,8,12,14,16H,1,6-7H2,2H3/t12-,14+/m1/s1",C=C(C)[C@H]1Cc2c(C=O)cccc2C[C@@H]1O,C14H16O2,,216.115029752,TVHWZFSMYZPWDT,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia przewalskii,619955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia przewalskii'],3,3,7.057617902755737 14355,3403,3130,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.697585,ISDB,ZZVZGSYEPXXGHA-UHFFFAOYSA-N,"InChI=1S/C14H14O/c1-9-4-6-12(11(3)15)8-14-10(2)5-7-13(9)14/h4-8H,1-3H3",CC(=O)c1ccc(C)c2ccc(C)c-2c1,C14H14O,,198.104465068,ZZVZGSYEPXXGHA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],3,3,7.290339946746826 14356,3401,19,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,0.7821366,ISDB,ZITBJWXLODLDRH-JLTOFOAXSA-N,"InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@@]2(O)Cc2ccc(O)c(OC)c2)ccc1O,C20H22O7,,374.136553044,ZITBJWXLODLDRH,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.628546476364136 14357,3400,-1,,,,0.52546865,ISDB,JLRWQHLWCXUJEL-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3",CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C,C26H44N2,,384.350449408,JLRWQHLWCXUJEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.101874589920044 14358,3399,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.71494657,ISDB,DZBDDACPJRFJGO-NXBFSHDWSA-N,"InChI=1S/C19H34N2O2/c1-13-9-14(11-16-5-3-4-8-21(16)2)17-7-6-15(12-19(22)23)20-18(17)10-13/h13-18,20H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,17+,18-/m1/s1",C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CC[C@@H](CC(=O)O)N[C@@H]2C1,C19H34N2O2,,322.262028328,DZBDDACPJRFJGO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lycopodiella cernua,429356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Palhinhaea'],['Palhinhaea cernua'],3,1,6.35978627204895 14359,3397,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,FSCNUJMKSQHQSY-OSLYEKKFSA-N,"InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C21H30O11,pos_1_1proton1ammonium,458.17881177999976,FSCNUJMKSQHQSY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus brachypus,3886186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus brachypus'],7,1,7.5 14360,3397,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,FSCNUJMKSQHQSY-OSLYEKKFSA-N,"InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C21H30O11,pos_1_1proton1ammonium,458.17881177999976,FSCNUJMKSQHQSY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus brachypus,3886186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus brachypus'],7,1,7.5 14361,3396,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 14362,3396,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 14363,3396,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 14364,3396,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 14365,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-ZSGFIFMUSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cussonia arborea,3885840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Cussonia'],['Cussonia arborea'],4,0,7.419211149215698 14366,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Chaerophyllum hirsutum,815187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Chaerophyllum'],['Chaerophyllum hirsutum'],4,0,7.419211149215698 14367,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bridelia ferruginea,99956.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Bridelieae'],['Bridelia'],['Bridelia ferruginea'],4,0,7.419211149215698 14368,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aster koraiensis,1009959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster koraiensis'],4,0,7.419211149215698 14369,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis gaudichaudiana,7599949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis gaudichaudiana'],4,0,7.419211149215698 14370,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Echinops galalensis,3894842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops galalensis'],4,0,7.419211149215698 14371,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dracocephalum ruyschiana,132786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Dracocephalum'],['Dracocephalum ruyschiana'],4,0,7.419211149215698 14372,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],4,0,7.419211149215698 14373,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dichrocephala bicolor,7597980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Dichrocephala'],['Dichrocephala bicolor'],4,0,7.419211149215698 14374,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],4,0,7.419211149215698 14375,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coffea,227658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Unknown'],4,0,7.419211149215698 14376,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tripolium pannonicum,989947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Tripolium'],['Tripolium pannonicum'],4,0,7.419211149215698 14377,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tripolium vulgare,397481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Tripolium'],['Tripolium vulgare'],4,0,7.419211149215698 14378,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cydonia,366142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Unknown'],4,0,7.419211149215698 14379,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ipomoea batatas,1071040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea batatas'],4,0,7.419211149215698 14380,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-KZIMDKONSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20+,23+,25-",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Symphyotrichum undulatum,296013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Symphyotrichum'],['Symphyotrichum undulatum'],4,0,7.419211149215698 14381,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-KZIMDKONSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20+,23+,25-",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aster scaber,868082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster scaber'],4,0,7.419211149215698 14382,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia montana,33634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia montana'],4,0,7.419211149215698 14383,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Farfugium japonicum,619957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Farfugium'],['Farfugium japonicum'],4,0,7.419211149215698 14384,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],4,0,7.419211149215698 14385,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],4,0,7.419211149215698 14386,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia princeps,85971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia princeps'],4,0,7.419211149215698 14387,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Achillea sibirica,5794617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea sibirica'],4,0,7.419211149215698 14388,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,0,7.419211149215698 14389,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia maritima,33640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia maritima'],4,0,7.419211149215698 14390,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia stelleriana,274437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia stelleriana'],4,0,7.419211149215698 14391,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],4,0,7.419211149215698 14392,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bidens pilosa,315599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens pilosa'],4,0,7.419211149215698 14393,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Antonia ovata,142093.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Antonia'],['Antonia ovata'],4,0,7.419211149215698 14394,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Chrysanthemum morifolium,3899190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum x morifolium'],4,0,7.419211149215698 14395,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centella asiatica,49599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Centella'],['Centella asiatica'],4,0,7.419211149215698 14396,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulicaria wightiana,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],4,0,7.419211149215698 14397,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aster indicus,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],4,0,7.419211149215698 14398,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia iwayomogi,361557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia iwayomogi'],4,0,7.419211149215698 14399,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],4,0,7.419211149215698 14400,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Neurolaena lobata,250396.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Neurolaena'],['Neurolaena lobata'],4,0,7.419211149215698 14401,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex taubertiana,967825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex taubertiana'],4,0,7.419211149215698 14402,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex argentina,302247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex argentina'],4,0,7.419211149215698 14403,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex brevicuspis,432620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex brevicuspis'],4,0,7.419211149215698 14404,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex dumosa,751413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex dumosa'],4,0,7.419211149215698 14405,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex pseudobuxus,1015266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex pseudobuxus'],4,0,7.419211149215698 14406,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex microdonta,222016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex microdonta'],4,0,7.419211149215698 14407,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex theezans,68451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex theizans'],4,0,7.419211149215698 14408,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,0,7.419211149215698 14409,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ilex paraguariensis,589430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex paraguariensis'],4,0,7.419211149215698 14410,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hypochoeris radicata,388993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Hypochaeris'],['Hypochaeris radicata'],4,0,7.419211149215698 14411,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helminthotheca echioides,628526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Helminthotheca'],['Helminthotheca echioides'],4,0,7.419211149215698 14412,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Urospermum dalechampii,864474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Urospermum'],['Urospermum dalechampii'],4,0,7.419211149215698 14413,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Leontodon saxatilis,339813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Leontodon'],['Leontodon saxatilis'],4,0,7.419211149215698 14414,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Leontodon taraxacoides,1019809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Leontodon'],['Leontodon taraxacoides'],4,0,7.419211149215698 14415,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Urospermum picroides,747021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Urospermum'],['Urospermum picroides'],4,0,7.419211149215698 14416,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taraxacum croceum,797031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum croceum'],4,0,7.419211149215698 14417,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taraxacum lapponicum,5264882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum lapponicum'],4,0,7.419211149215698 14418,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taraxacum campylodes,7614488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum campylodes'],4,0,7.419211149215698 14419,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taraxacum officinale,451182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum officinale'],4,0,7.419211149215698 14420,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brickellia,345509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Unknown'],4,0,7.419211149215698 14421,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brickellia cavanillesii,5794379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia cavanillesii'],4,0,7.419211149215698 14422,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helichrysum stoechas,323167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum stoechas'],4,0,7.419211149215698 14423,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,0,7.419211149215698 14424,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helichrysum italicum,54015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum italicum'],4,0,7.419211149215698 14425,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phagnalon rupestre,96923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Phagnalon'],['Phagnalon rupestre'],4,0,7.419211149215698 14426,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Werneria nubigena,63655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Werneria'],['Werneria nubigena'],4,0,7.419211149215698 14427,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,0,7.419211149215698 14428,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eupatorium perfoliatum,1032099.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eupatorium'],['Eupatorium perfoliatum'],4,0,7.419211149215698 14429,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-ZSGFIFMUSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tanacetum balsamita,616342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum balsamita'],4,0,7.419211149215698 14430,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tanacetum balsamitoides,3899226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum balsamitoides'],4,0,7.419211149215698 14431,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petasites japonicus,47000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites japonicus'],4,0,7.419211149215698 14432,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lapsana communis,353449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lapsana'],['Lapsana communis'],4,0,7.419211149215698 14433,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hedera rhombea,549542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera rhombea'],4,0,7.419211149215698 14434,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scorzonera latifolia,129206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Scorzonera'],['Scorzonera latifolia'],4,0,7.419211149215698 14435,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,0,7.419211149215698 14436,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Psiadia viscosa,1043464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Psiadia'],['Psiadia viscosa'],4,0,7.419211149215698 14437,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ostericum grosseserratum,706490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ostericum'],['Ostericum grosseserratum'],4,0,7.419211149215698 14438,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hieracium coloriscapum,3897767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Hieracium'],['Hieracium coloriscapum'],4,0,7.419211149215698 14439,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cressa cretica,5518054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Cresseae'],['Cressa'],['Cressa cretica'],4,0,7.419211149215698 14440,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia carvifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],4,0,7.419211149215698 14441,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-ZSGFIFMUSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,0,7.419211149215698 14442,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Glebionis coronaria,472707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis coronaria'],4,0,7.419211149215698 14443,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Glebionis coronarium,472707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis coronaria'],4,0,7.419211149215698 14444,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Crassocephalum crepidioides,65665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Crassocephalum'],['Crassocephalum crepidioides'],4,0,7.419211149215698 14445,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-KZIMDKONSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20+,23+,25-",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea jamaicensis,431707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea jamaicensis'],4,0,7.419211149215698 14446,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-KZIMDKONSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20+,23+,25-",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Calea prunifolia,7606947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea prunifolia'],4,0,7.419211149215698 14447,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Xanthium strumarium,709045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Xanthium'],['Xanthium strumarium'],4,0,7.419211149215698 14448,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ipomoea cairica,486878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea cairica'],4,0,7.419211149215698 14449,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hubertia,145214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Hubertia'],['Unknown'],4,0,7.419211149215698 14450,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Senecio,723076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Unknown'],4,0,7.419211149215698 14451,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Suaeda glauca,915422.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Suaeda'],['Suaeda glauca'],4,0,7.419211149215698 14452,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia caruifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],4,0,7.419211149215698 14453,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lactuca indica,678386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca indica'],4,0,7.419211149215698 14454,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hieracium rotundatum,7619809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Hieracium'],['Hieracium rotundatum'],4,0,7.419211149215698 14455,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hieracium gymnocephalum,38237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Hieracium'],['Hieracium gymnocephalum'],4,0,7.419211149215698 14456,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solidago canadensis,872344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago canadensis'],4,0,7.419211149215698 14457,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,0,7.419211149215698 14458,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Coffea canephora,104739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea canephora'],4,0,7.419211149215698 14459,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],4,0,7.419211149215698 14460,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Psydrax schimperiana,271700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Vanguerieae'],['Psydrax'],['Psydrax schimperiana'],4,0,7.419211149215698 14461,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sphagneticola calendulacea,599499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Sphagneticola'],['Sphagneticola calendulacea'],4,0,7.419211149215698 14462,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Strychnos axillaris,653517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Strychnos axillaris'],4,0,7.419211149215698 14463,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Strychnos,550932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Loganiaceae'],['Unknown'],['Strychnos'],['Unknown'],4,0,7.419211149215698 14464,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lactuca formosana,287225.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca formosana'],4,0,7.419211149215698 14465,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,0,7.419211149215698 14466,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus inermis,776357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus inermis'],4,0,7.419211149215698 14467,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dipsacus asper,365911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Dipsacus'],['Dipsacus asper'],4,0,7.419211149215698 14468,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hieracium naegelianum,38253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Hieracium'],['Hieracium naegelianum'],4,0,7.419211149215698 14469,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Leontodon autumnalis,220789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Scorzoneroides'],['Scorzoneroides autumnalis'],4,0,7.419211149215698 14470,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],4,0,7.419211149215698 14471,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],4,0,7.419211149215698 14472,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],4,0,7.419211149215698 14473,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],4,0,7.419211149215698 14474,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sanicula graveolens,18148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Saniculeae'],['Sanicula'],['Sanicula graveolens'],4,0,7.419211149215698 14475,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ipomoea pes-caprae,409767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea pes-caprae'],4,0,7.419211149215698 14476,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scorzonera pseudodivaricata,5795159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Scorzonera'],['Scorzonera pseudodivaricata'],4,0,7.419211149215698 14477,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Youngia japonica,199549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Youngia'],['Youngia japonica'],4,0,7.419211149215698 14478,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ophryosporus heptanthus,5739197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ophryosporus'],['Ophryosporus heptanthus'],4,0,7.419211149215698 14479,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Smallanthus sonchifolius,550168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus sonchifolius'],4,0,7.419211149215698 14480,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Corchorus olitorius,578269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus olitorius'],4,0,7.419211149215698 14481,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hieracium guentheri-beckii,3897944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Hieracium'],['Hieracium guentheri-beckii'],4,0,7.419211149215698 14482,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],4,0,7.419211149215698 14483,3395,-1,,,,0.8548028,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],4,0,7.419211149215698 14484,3392,-1,,,,0.0,MS1_match,LNRJPFZEOOOQOH-MYXURULXSA-N,"InChI=1S/C16H20O8/c1-22-12(18)7-6-9-4-2-3-5-10(9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-6+/t11-,13-,14+,15-,16-/m1/s1",COC(=O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O8,pos_1_1sodium,340.1158176,LNRJPFZEOOOQOH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 14485,3391,-1,,,,0.0,MS1_match,PGSGUFFVLOKDAE-VNSBBCNNSA-N,"InChI=1S/C36H54N2O5/c1-22(38(5)6)31-25(41)19-34(4)28-12-11-27-32(2,21-39)29(14-15-35(27)20-36(28,35)17-16-33(31,34)3)37-30(42)13-9-23-8-10-26(43-7)24(40)18-23/h8-10,13,18,22,25,27-29,31,39-41H,11-12,14-17,19-21H2,1-7H3,(H,37,42)/b13-9+/t22-,25+,27-,28-,29-,31-,32-,33+,34-,35+,36-/m0/s1",COc1ccc(/C=C/C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc1O,C36H54N2O5,pos_2_2proton,594.403272828,PGSGUFFVLOKDAE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 14486,3391,-1,,,,0.0,MS1_match,VYBKKMOWMQANMV-RBODEHBJSA-N,"InChI=1S/C36H54N2O5/c1-23(37(6)7)31-28(43-24(2)40)21-35(5)27-14-15-29-33(3,22-39)30(38(8)32(41)25-12-10-9-11-13-25)17-19-36(29,42)20-26(27)16-18-34(31,35)4/h9-13,16,23,27-31,39,42H,14-15,17-22H2,1-8H3/t23-,27+,28+,29-,30-,31-,33-,34+,35-,36+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@](O)(CC[C@H](N(C)C(=O)c5ccccc5)[C@@]4(C)CO)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C36H54N2O5,pos_2_2proton,594.403272828,VYBKKMOWMQANMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,0,7.0 14487,3390,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 14488,3390,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 14489,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-QDSJJBNCSA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m1/s1",C[C@H]1O[C@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia confusa,560305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia confusa'],0,3,3.5473744869232178 14490,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melaleuca quinquenervia,457009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Melaleuca'],['Melaleuca quinquenervia'],0,3,3.5473744869232178 14491,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Combretum,715187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Unknown'],0,3,3.5473744869232178 14492,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],0,3,3.5473744869232178 14493,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],0,3,3.5473744869232178 14494,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Diospyros japonica,472521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros glaucifolia'],0,3,3.5473744869232178 14495,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Diospyros glaucifolia,472521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros glaucifolia'],0,3,3.5473744869232178 14496,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Myrcia multiflora,87267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Myrcia'],['Myrcia multiflora'],0,3,3.5473744869232178 14497,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Syzygium samarangense,379996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium samarangense'],0,3,3.5473744869232178 14498,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3",CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O,C28H24O16,,616.106434688,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cacia confusa,3378739.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Cerambycidae'],['Unknown'],['Cacia'],['Cacia confusa'],0,3,3.5473744869232178 14499,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Limonium sinense,244739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Plumbaginaceae'],['Unknown'],['Limonium'],['Limonium sinense'],0,3,3.5473744869232178 14500,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phedimus selskanianus,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,3,3.5473744869232178 14501,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phedimus selskianus,300990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus selskianus'],0,3,3.5473744869232178 14502,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eugenia myrcianthes,9525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Eugenia'],['Eugenia myrcianthes'],0,3,3.5473744869232178 14503,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Desmanthus illinoensis,529975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Desmanthus'],['Desmanthus illinoensis'],0,3,3.5473744869232178 14504,3385,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5118436,ISDB,IXDHJNNHLVGCLC-MXXRNXGISA-N,"InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C28H24O16,,616.1064346879999,IXDHJNNHLVGCLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Inga laurina,626197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Inga'],['Inga laurina'],0,3,3.5473744869232178 14505,3383,-1,,,,0.7044496,ISDB,XLUHSPYVUOVWRM-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cephalotaxus harringtonia,10224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Cephalotaxus'],['Cephalotaxus harringtonia'],5,0,7.817798376083374 14506,3382,-1,,,,0.5287854,ISDB,ARSLSYYPGHBQKL-KCQAQPDRSA-N,"InChI=1S/C15H26N2O/c18-14-8-1-2-10-17(14)11-13-6-3-5-12-7-4-9-16-15(12)13/h12-13,15-16H,1-11H2/t12-,13-,15+/m0/s1",O=C1CCCCN1C[C@@H]1CCC[C@H]2CCCN[C@H]21,C15H26N2O,,250.204513452,ARSLSYYPGHBQKL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Mycetia nutans,3882229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Argostemmateae'],['Mycetia'],['Mycetia nutans'],4,0,6.1151416301727295 14507,3382,-1,,,,0.5287854,ISDB,ARSLSYYPGHBQKL-KCQAQPDRSA-N,"InChI=1S/C15H26N2O/c18-14-8-1-2-10-17(14)11-13-6-3-5-12-7-4-9-16-15(12)13/h12-13,15-16H,1-11H2/t12-,13-,15+/m0/s1",O=C1CCCCN1C[C@@H]1CCC[C@H]2CCCN[C@H]21,C15H26N2O,,250.204513452,ARSLSYYPGHBQKL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Myrioneuron nutans,3882229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Argostemmateae'],['Mycetia'],['Mycetia nutans'],4,0,6.1151416301727295 14508,3381,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 14509,3380,-1,,,,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_1_1proton1methanol,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 14510,3380,-1,,,,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 14511,3379,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,1,6.5 14512,3379,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,1,6.5 14513,3377,37,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSCNUJMKSQHQSY-OSLYEKKFSA-N,"InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C21H30O11,pos_1_1sodium,458.17881177999976,FSCNUJMKSQHQSY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus brachypus,3886186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus brachypus'],7,3,8.5 14514,3377,37,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSCNUJMKSQHQSY-OSLYEKKFSA-N,"InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C21H30O11,pos_1_1sodium,458.17881177999976,FSCNUJMKSQHQSY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus brachypus,3886186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus brachypus'],7,3,8.5 14515,3376,398,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HIEGBZPNSCMIJU-IHXOVPCESA-N,"InChI=1S/C36H56N2O5/c1-22(37(5)6)24-12-14-34(4)28-11-10-27-32(2,21-39)29(13-15-35(27)20-36(28,35)17-16-33(24,34)3)38(7)31(41)23-18-25(42-8)30(40)26(19-23)43-9/h18-19,22,24,27-29,39-40H,10-17,20-21H2,1-9H3/t22-,24+,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1",COc1cc(C(=O)N(C)[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C36H56N2O5,pos_2_2proton,596.418922892,HIEGBZPNSCMIJU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 14516,3373,2836,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6580668,ISDB,MDDPOAHYGDIGBP-ZUDQDPCPSA-N,"InChI=1S/C27H48N2O/c1-17(28-6)22-18(30-8)15-25(5)20-10-9-19-23(2,3)21(29-7)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28-29H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](OC)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C27H48N2O,,416.376664156,MDDPOAHYGDIGBP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.132267236709595 14517,3372,-1,,,,0.0,MS1_match,SMTKSCGLXONVGL-ZEIULZLQSA-N,"InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16+,18+,19-,20+,23+,24-/m0/s1",C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CCOC(=O)c1cc(O)c(O)c(O)c1,C24H30O14,pos_2MNa,542.1635556399998,SMTKSCGLXONVGL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 14518,3371,1319,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.35740742,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],5,3,7.929629683494568 14519,3371,1319,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.35740742,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrangea chinensis,486966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea chinensis'],5,3,7.929629683494568 14520,3370,2231,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 14521,3370,2231,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1proton1ethylamine,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,3,8.5 14522,3369,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.36411437,ISDB,MRUXVACSRPRMSN-KQQUZDAGSA-N,"InChI=1S/C18H23NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,20)/b7-5+,8-6+",CC(C)CNC(=O)/C=C/CC/C=C/c1ccc2c(c1)OCO2,C18H23NO3,,301.167793596,MRUXVACSRPRMSN,Shikimates and Phenylpropanoids,,,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],3,0,4.456457495689392 14523,3366,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9282564,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],5,3,10.213025569915771 14524,3366,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9282564,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Petroselinum crispum,2485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Petroselinum'],['Petroselinum crispum'],5,3,10.213025569915771 14525,3366,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9282564,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Anethum graveolens,378039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Anethum'],['Anethum graveolens'],5,3,10.213025569915771 14526,3366,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9282564,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Coriandrum sativum,2476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Coriandreae'],['Coriandrum'],['Coriandrum sativum'],5,3,10.213025569915771 14527,3366,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9282564,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],5,3,10.213025569915771 14528,3365,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,OUAINJWTDRNZIJ-XSSIKURBSA-N,"InChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,19,21H,12,14-15H2/b13-11+/t19-/m1/s1",O=C(/C=C/c1ccccc1)C[C@H](O)CCc1ccccc1,C19H20O2,pos_1_1proton,280.14632988,OUAINJWTDRNZIJ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],6,3,7.5 14529,3365,623,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,OUAINJWTDRNZIJ-ACCUITESSA-N,"InChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,19,21H,12,14-15H2/b13-11+",O=C(/C=C/c1ccccc1)CC(O)CCc1ccccc1,C19H20O2,pos_1_1proton,280.14632988,OUAINJWTDRNZIJ,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 14530,3364,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 14531,3364,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 14532,3363,-1,,,,0.0,MS1_match,SMTKSCGLXONVGL-ZEIULZLQSA-N,"InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16+,18+,19-,20+,23+,24-/m0/s1",C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CCOC(=O)c1cc(O)c(O)c(O)c1,C24H30O14,pos_1_1sodium,542.1635556399998,SMTKSCGLXONVGL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 14533,3362,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CNUYQHVJXXHWTA-GHNVHIJPSA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,27+,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_1_1proton1isopropanol,466.355928712,CNUYQHVJXXHWTA,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 14534,3362,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CNUYQHVJXXHWTA-HPZHWEIISA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,27-,29+,30+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_1_1proton1isopropanol,466.355928712,CNUYQHVJXXHWTA,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,6.0 14535,3362,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XIHQWIIPJIXLEO-FXHHUKKCSA-N,"InChI=1S/C30H46N2O2/c1-19(32(4)5)23-13-14-24-22-12-11-21-17-26(31-28(34)20-9-7-6-8-10-20)27(33)18-30(21,3)25(22)15-16-29(23,24)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C30H46N2O2,pos_1_1proton1isopropanol,466.355928712,XIHQWIIPJIXLEO,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 14536,3359,-1,,,,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ethylamine,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 14537,3359,-1,,,,0.0,MS1_match,IKBSXSWJOQRTRW-OTJBPAGCSA-N,"InChI=1S/C16H26O8/c1-9(7-17)5-3-4-6-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h3-5,10-14,16-21H,6-8H2,1-2H3/t10-,11+,12+,13-,14+,16-/m0/s1",CC(=CC=CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H26O8,pos_1_1proton1ethylamine,346.162767792,IKBSXSWJOQRTRW,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 14538,3359,-1,,,,0.0,MS1_match,IKBSXSWJOQRTRW-OTJBPAGCSA-N,"InChI=1S/C16H26O8/c1-9(7-17)5-3-4-6-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h3-5,10-14,16-21H,6-8H2,1-2H3/t10-,11+,12+,13-,14+,16-/m0/s1",CC(=CC=CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H26O8,pos_1_1proton1ethylamine,346.162767792,IKBSXSWJOQRTRW,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 14539,3354,42,Shikimates and Phenylpropanoids,Ornithine alkaloids,Biaryl type diarylheptanoids,0.0,MS1_match,IWMQBRQITMMJFZ-UHFFFAOYSA-N,"InChI=1S/C20H20O4/c1-24-20-10-6-13-5-8-15(21)3-2-4-18(22)14-7-9-19(23)16(12-14)17(20)11-13/h6-7,9-12,23H,2-5,8H2,1H3",COc1ccc2cc1-c1cc(ccc1O)C(=O)CCCC(=O)CC2,C20H20O4,pos_2_2proton,324.13615912,IWMQBRQITMMJFZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,3,7.5 14540,3354,42,Shikimates and Phenylpropanoids,Ornithine alkaloids,Biaryl type diarylheptanoids,0.0,MS1_match,IWMQBRQITMMJFZ-UHFFFAOYSA-N,"InChI=1S/C20H20O4/c1-24-20-10-6-13-5-8-15(21)3-2-4-18(22)14-7-9-19(23)16(12-14)17(20)11-13/h6-7,9-12,23H,2-5,8H2,1H3",COc1ccc2cc1-c1cc(ccc1O)C(=O)CCCC(=O)CC2,C20H20O4,pos_2_2proton,324.13615912,IWMQBRQITMMJFZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,3,7.5 14541,3353,403,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,SBBFXSBQYRSIPP-GNBUJSLZSA-O,"InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18+,20-/m0/s1",OC[C@@H]1O[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O,C20H19O10+,pos_1_1sodium,419.09727322809,SBBFXSBQYRSIPP,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 14542,3349,-1,,,,0.82765317,ISDB,KTPOZFYJWLGJGH-COMQUAJESA-N,"InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12+,13-,15+/m1/s1",CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C,C15H22O,,218.167065324,KTPOZFYJWLGJGH,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,9.310612678527832 14543,3348,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,pos_1_1proton1methanol,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14544,3346,1416,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FBMFMDSVTBIJPB-CKTRUMDJSA-N,"InChI=1S/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38)/t20-,23+,24-,25+,26-,27-,28-,30+,31+,32-,33+/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]12C)N(C)C,C33H46N2O4,pos_1_1proton1methanol,534.345757952,FBMFMDSVTBIJPB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,8.5 14545,3344,-1,,,,0.66228026,ISDB,MSVVDBMAVSBGAQ-OUECKCITSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-23(8-13)41-30(12-2-4-16(33)19(36)6-12)29(42-30)26(24)25-21(38)10-17(34)14-9-22(39)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-27,29,31-39H,9H2/t22-,26+,27-,29+,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)O[C@H]1[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H24O12,,576.1267762079998,MSVVDBMAVSBGAQ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,10.649121046066284 14546,3343,-1,,,,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1potassium,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 14547,3343,-1,,,,0.0,MS1_match,CIJCJSUCYZJZJR-QOJYVNSGSA-N,"InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,12,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18-/m1/s1",CC(=O)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O7,pos_1_1potassium,370.1991532999999,CIJCJSUCYZJZJR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 14548,3343,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1potassium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 14549,3343,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1potassium,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 14550,3343,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1potassium,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 14551,3343,-1,,,,0.0,MS1_match,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1potassium,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 14552,3343,-1,,,,0.0,MS1_match,QPBOUUUYBCDTKI-UNLFBOIASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h6-7,11,14-18,20,22-24H,5,8-9H2,1-4H3/b13-6-/t11?,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)/C1=C\CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,pos_1_1potassium,370.1991533,QPBOUUUYBCDTKI,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 14553,3343,-1,,,,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1potassium,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 14554,3343,-1,,,,0.0,MS1_match,NVFMDEVKKYQMLD-NBVSPMLASA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3/t11-,12-,14+,15+,16-,17+,18+/m0/s1",CC1=C(C#C[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1,C19H30O7,pos_1_1potassium,370.1991533,NVFMDEVKKYQMLD,Terpenoids,Apocarotenoids,Megastigmanes,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 14555,3343,-1,,,,0.0,MS1_match,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,pos_1_1sodium,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Rubus chamaemorus,902631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chamaemorus'],6,0,6.0 14556,3343,-1,,,,0.0,MS1_match,SNAOLIMFHAAIER-DLBZAZTESA-N,"InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1",COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC,C22H26O6,pos_1_1sodium,386.172938552,SNAOLIMFHAAIER,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,0,6.0 14557,3341,-1,,,,0.0,MS1_match,SBBFXSBQYRSIPP-GNBUJSLZSA-O,"InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18+,20-/m0/s1",OC[C@@H]1O[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O,C20H19O10+,pos_1_1proton,419.09727322809,SBBFXSBQYRSIPP,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 14558,3340,781,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.79103345,ISDB,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.664133787155151 14559,3339,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 14560,3337,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.0,MS1_match,KFWCNRCQYZWAFT-DEOAXKMISA-N,"InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3/t10-,11?,12+,13-,14+,15+,16-,17+,18?,19-,20-/m1/s1",CC(C)[C@@]12C[C@@]3(O)[C@@]4(C)C1C1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2,C20H30O8,pos_1_1proton1acetonitrile,398.19406792,KFWCNRCQYZWAFT,Terpenoids,Sesquiterpenoids,Hirsutane sesquiterpenoids,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 14561,3336,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46607152,ISDB,CAUANPLJFMVCHO-QVBLYVSOSA-N,"InChI=1S/C22H28O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-12,21-24H,1-6H3/t11-,12-,21-,22-/m0/s1",COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O,C22H28O7,,404.1835032359999,CAUANPLJFMVCHO,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Licaria aurea,6026397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria aurea'],6,2,8.864286065101624 14562,3335,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,SMTKSCGLXONVGL-ZEIULZLQSA-N,"InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16+,18+,19-,20+,23+,24-/m0/s1",C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CCOC(=O)c1cc(O)c(O)c(O)c1,C24H30O14,pos_2MHNH3,542.1635556399998,SMTKSCGLXONVGL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 14563,3334,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,SMTKSCGLXONVGL-ZEIULZLQSA-N,"InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16+,18+,19-,20+,23+,24-/m0/s1",C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CCOC(=O)c1cc(O)c(O)c(O)c1,C24H30O14,pos_1_1proton1ammonium,542.1635556399998,SMTKSCGLXONVGL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 14564,3333,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,SMTKSCGLXONVGL-ZEIULZLQSA-N,"InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16+,18+,19-,20+,23+,24-/m0/s1",C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CCOC(=O)c1cc(O)c(O)c(O)c1,C24H30O14,pos_1_1proton,542.1635556399998,SMTKSCGLXONVGL,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 14565,3332,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.3116668,ISDB,AKCZTYUUVZJONY-HBYZOQDXSA-N,"InChI=1S/C23H26O13/c1-32-14-6-9(2-3-11(14)25)20-15(7-24)34-23-21(36-20)19(30)18(29)16(35-23)8-33-22(31)10-4-12(26)17(28)13(27)5-10/h2-6,15-16,18-21,23-30H,7-8H2,1H3/t15-,16+,18+,19-,20-,21+,23+/m0/s1",COc1cc([C@@H]2O[C@H]3[C@H](O[C@H]2CO)O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]3O)ccc1O,C23H26O13,,510.13734089199977,AKCZTYUUVZJONY,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Mallotus peltatus,188269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus peltatus'],4,0,5.246667146682739 14566,3330,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.39173827,ISDB,OMNBOKMNIVQDNN-IWEBEACQSA-N,"InChI=1S/C17H24O9/c1-7-4-10(19)9-5-17(7,25-15(23-3)8(9)2)26-16-14(22)13(21)12(20)11(6-18)24-16/h4,9,11-16,18,20-22H,2,5-6H2,1,3H3/t9-,11-,12-,13+,14-,15-,16+,17+/m1/s1",C=C1[C@H](OC)O[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1C(=O)C=C2C,C17H24O9,,372.142032348,OMNBOKMNIVQDNN,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Paeonia lactiflora,352877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia lactiflora'],4,3,7.066953063011169 14567,3329,-1,,,,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 14568,3329,-1,,,,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,0,7.0 14569,3329,-1,,,,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus florida,148264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus florida'],7,0,7.0 14570,3328,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.4575494,ISDB,HQXQQGRHEUSOLN-IOQZMOQZSA-N,"InChI=1S/C17H22O8/c1-8(18)23-10-14(3)11(20)24-12(21)15(14,4)17(22)6-5-13(2)16(10,17)7-9(19)25-13/h10,12,21-22H,5-7H2,1-4H3/t10-,12-,13-,14-,15+,16+,17-/m0/s1",CC(=O)O[C@@H]1[C@]23CC(=O)O[C@@]2(C)CC[C@]3(O)[C@]2(C)[C@@H](O)OC(=O)[C@]12C,C17H22O8,,354.131467664,HQXQQGRHEUSOLN,Terpenoids,Sesquiterpenoids,Prezizaane sesquiterpenoids,Illicium merrillianum,7580779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium merrillianum'],4,1,6.33019757270813 14571,3327,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,ZDVZKBOFCHOPLM-LBTNJELSSA-N,"InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO)cc(OC)c1O,C22H28O8,pos_2_2proton,420.1784178559999,ZDVZKBOFCHOPLM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 14572,3327,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,ZDVZKBOFCHOPLM-LBTNJELSSA-N,"InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO)cc(OC)c1O,C22H28O8,pos_2_2proton,420.1784178559999,ZDVZKBOFCHOPLM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 14573,3327,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,ZDVZKBOFCHOPLM-LBTNJELSSA-N,"InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m1/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@H]2CO)cc(OC)c1O,C22H28O8,pos_2_2proton,420.1784178559999,ZDVZKBOFCHOPLM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 14574,3326,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.23288734,ISDB,PZOSJQZCHVKTQJ-ZJUUUORDSA-N,"InChI=1S/C10H12O4/c1-7(11)14-10-3-2-8(12)6-9(10)13-5-4-10/h2-3,9H,4-6H2,1H3/t9-,10+/m1/s1",CC(=O)O[C@]12C=CC(=O)C[C@H]1OCC2,C10H12O4,,196.073558864,PZOSJQZCHVKTQJ,,,,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,0,7.931549370288849 14575,3324,-1,,,,0.0,MS1_match,PGFBYAIGHPJFFJ-UHFFFAOYSA-N,"InChI=1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)",COc1cc2c(cc1O)C(c1cc(O)c(O)c(OC)c1)C(O)(C(=O)O)C(O)(CO)C2,C20H22O10,pos_1_1sodium,422.1212969039999,PGFBYAIGHPJFFJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Thuja plicata,463725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja plicata'],6,0,6.0 14576,3323,781,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.45488158,ISDB,HZSSIVBUAMEIEB-UHFFFAOYSA-N,"InChI=1S/C23H32O2/c1-14-9-11-16(20(24)18(14)22(3,4)5)13-17-12-10-15(2)19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3",Cc1ccc(Cc2ccc(C)c(C(C)(C)C)c2O)c(O)c1C(C)(C)C,C23H32O2,,340.240230264,HZSSIVBUAMEIEB,Shikimates and Phenylpropanoids,,,Senna italica,808756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna italica'],4,0,5.819526314735413 14577,3322,-1,,,,0.48735562,ISDB,UNQFHHAPQIDJED-NXNVCVFFSA-N,"InChI=1S/C18H30N2O3/c1-4-5-6-8-13(2)11-14-12-23-17(15-9-7-10-19-15)20-16(14)18(21)22-3/h7,9-10,13-14,16-17,19-20H,4-6,8,11-12H2,1-3H3/t13-,14-,16-,17+/m0/s1",CCCCC[C@H](C)C[C@H]1CO[C@H](c2ccc[nH]2)N[C@@H]1C(=O)OC,C18H30N2O3,,322.22564282,UNQFHHAPQIDJED,Alkaloids,,,Celastrus angulatus,709269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus angulatus'],4,0,5.949422478675842 14578,3320,-1,,,,0.4056531,ISDB,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,8.622612357139587 14579,3319,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-SNVBAGLBSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1",C=C(C)[C@@H]1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14580,3319,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2C(C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14581,3319,-1,,,,0.0,MS1_match,RRBYUSWBLVXTQN-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3",CC1(C)C2CC3C(C2)C31C,C10H16,pos_1_1proton,136.125200512,RRBYUSWBLVXTQN,Terpenoids,Monoterpenoids,,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14582,3319,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14583,3319,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14584,3319,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C=C1C2CCC(C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14585,3319,-1,,,,0.0,MS1_match,IHPKGUQCSIINRJ-CSKARUKUSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+",C=C/C(C)=C/CC=C(C)C,C10H16,pos_1_1proton,136.125200512,IHPKGUQCSIINRJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14586,3319,-1,,,,0.0,MS1_match,MOYAFQVGZZPNRA-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",CC1=CCC(=C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,MOYAFQVGZZPNRA,Terpenoids,Monoterpenoids,,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14587,3319,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",CC1=CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 14588,3317,1761,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.6454662,ISDB,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,1,12.081864833831787 14589,3316,2231,Terpenoids,Apocarotenoids,Megastigmanes,0.47113836,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.3845534324646 14590,3316,2231,Terpenoids,Apocarotenoids,Megastigmanes,0.47113836,ISDB,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,3,9.3845534324646 14591,3315,2466,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,XLPDVYGDNRIQFV-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",Cc1ccc(C(C)(C)O)cc1,C10H14O,pos_1_1proton,150.104465068,XLPDVYGDNRIQFV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 14592,3314,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-VFKUPZNOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15+,16+,19+,21-/m1/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.074740636,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Theobroma grandiflorum,654082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma grandiflorum'],6,3,7.5 14593,3314,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-VFKUPZNOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15+,16+,19+,21-/m1/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.074740636,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Theobroma grandiflorum,654082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma grandiflorum'],6,3,7.5 14594,3314,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DUBCCGAQYVUYEU-VFKUPZNOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15+,16+,19+,21-/m1/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.074740636,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Theobroma grandiflorum,654082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma grandiflorum'],6,3,7.5 14595,3313,-1,,,,0.54180765,ISDB,AFDXODALSZRGIH-QPJJXVBHSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+",COc1ccc(/C=C/C(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea salicifolia,437899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea salicifolia'],6,0,8.167230606079102 14596,3311,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6545697,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.118278741836548 14597,3311,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6545697,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.118278741836548 14598,3310,-1,,,,0.40512368,ISDB,,,,,,,LGIKFBYSSJHCQR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6204947233200073 14599,3309,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5877103,ISDB,PGSGUFFVLOKDAE-VNSBBCNNSA-N,"InChI=1S/C36H54N2O5/c1-22(38(5)6)31-25(41)19-34(4)28-12-11-27-32(2,21-39)29(14-15-35(27)20-36(28,35)17-16-33(31,34)3)37-30(42)13-9-23-8-10-26(43-7)24(40)18-23/h8-10,13,18,22,25,27-29,31,39-41H,11-12,14-17,19-21H2,1-7H3,(H,37,42)/b13-9+/t22-,25+,27-,28-,29-,31-,32-,33+,34-,35+,36-/m0/s1",COc1ccc(/C=C/C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc1O,C36H54N2O5,,594.403272828,PGSGUFFVLOKDAE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,10.850841283798218 14600,3307,532,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,pos_1_minus1proton1iron,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,3,7.5 14601,3307,532,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,pos_1_minus1proton1iron,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 14602,3307,532,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,pos_1_minus1proton1iron,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 14603,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus thymifolius,6109563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus thymifolius'],7,0,7.0 14604,3305,-1,,,,0.0,MS1_match,YDQWDHRMZQUTBA-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2",O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21,C15H10O5,pos_1_1proton,270.05282342,YDQWDHRMZQUTBA,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus davurica,228771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus davurica'],7,0,7.0 14605,3305,-1,,,,0.0,MS1_match,YDQWDHRMZQUTBA-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2",O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21,C15H10O5,pos_1_1proton,270.05282342,YDQWDHRMZQUTBA,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,0,7.0 14606,3305,-1,,,,0.0,MS1_match,YDQWDHRMZQUTBA-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2",O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21,C15H10O5,pos_1_1proton,270.05282342,YDQWDHRMZQUTBA,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,0,7.0 14607,3305,-1,,,,0.0,MS1_match,OISYIJRGMYJBRH-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-20-8-5-11-13(12(17)6-8)15(19)9-3-2-7(16)4-10(9)14(11)18/h2-6,16-17H,1H3",COc1cc(O)c2c(c1)C(=O)c1cc(O)ccc1C2=O,C15H10O5,pos_1_1proton,270.05282342,OISYIJRGMYJBRH,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,0,7.0 14608,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,0,7.0 14609,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus davurica,228771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus davurica'],7,0,7.0 14610,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus triquetra,5922230.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus triquetra'],7,0,7.0 14611,3305,-1,,,,0.0,MS1_match,YDQWDHRMZQUTBA-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2",O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21,C15H10O5,pos_1_1proton,270.05282342,YDQWDHRMZQUTBA,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus alaternus,1025761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus alaternus'],7,0,7.0 14612,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,0,7.0 14613,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus formosana,6109468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus formosana'],7,0,7.0 14614,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus wightii,6109569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus wightii'],7,0,7.0 14615,3305,-1,,,,0.0,MS1_match,YOOXNSPYGCZLAX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-4-7-11(10(18)5-6)15(20)13-9(17)3-2-8(16)12(13)14(7)19/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1c(O)ccc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,YOOXNSPYGCZLAX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,0,7.0 14616,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus pallasii,7056831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus pallasii'],7,0,7.0 14617,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,0,7.0 14618,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus libanotica,3907765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus libanotica'],7,0,7.0 14619,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus punctata,6109534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus punctata'],7,0,7.0 14620,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus punctatus,6109534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus punctata'],7,0,7.0 14621,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,0,7.0 14622,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,0,7.0 14623,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus kurdicus,6109490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus kurdica'],7,0,7.0 14624,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus kurdica,6109490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus kurdica'],7,0,7.0 14625,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus hirtellus,6109477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus hirtella'],7,0,7.0 14626,3305,-1,,,,0.0,MS1_match,RHMXXJGYXNZAPX-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,C15H10O5,pos_1_1proton,270.05282342,RHMXXJGYXNZAPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus procumbens,6109529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus procumbens'],7,0,7.0 14627,3303,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1sodium,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 14628,3303,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1sodium,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 14629,3302,-1,,,,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1proton,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 14630,3302,-1,,,,0.0,MS1_match,XEXCLTHHXIWUHO-UHFFFAOYSA-N,"InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C24H22O14,pos_1_1proton,534.1009553839998,XEXCLTHHXIWUHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,6.0 14631,3301,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 14632,3299,-1,,,,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1proton,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 14633,3299,-1,,,,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1proton,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 14634,3299,-1,,,,0.0,MS1_match,PIJHQWMTZXDYER-JOZSIVFUSA-N,"InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1",O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O9,pos_1_1proton,416.11073222,PIJHQWMTZXDYER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 14635,3298,-1,,,,0.8611744,ISDB,XXVQMLKMHPWDOH-ZQOQDGPXSA-N,"InChI=1S/C17H20O9/c1-2-7-6-24-10-4-8(3-9(19)12(10)13(7)20)25-17-16(23)15(22)14(21)11(5-18)26-17/h3-4,6,11,14-19,21-23H,2,5H2,1H3/t11-,14-,15+,16-,17-/m1/s1",CCc1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O,C17H20O9,,368.1107322199999,XXVQMLKMHPWDOH,Polyketides,Chromanes,Chromones,Hypericum sikokumontanum,354155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Hypericeae'],['Hypericum'],['Hypericum sikokumontanum'],4,0,7.444697618484497 14636,3297,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.69869506,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.294780254364014 14637,3296,168,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1proton1ammonium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 14638,3295,-1,,,,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1acetonitrile,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 14639,3294,-1,,,,0.47385234,ISDB,PXIKRTCSSLJURC-UHFFFAOYSA-N,"InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3",CCCc1ccc(O)c(OC)c1,C10H14O2,,166.099379688,PXIKRTCSSLJURC,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,7.895409345626831 14640,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 14641,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,0,6.0 14642,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 14643,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-KQJANQFBSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",O[C@H]1[C@@H](O)[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H]1O,C18H26O10,pos_1_1proton,402.152597032,WOGBNISMMIOPAZ,,,,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],6,0,6.0 14644,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-KQJANQFBSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",O[C@H]1[C@@H](O)[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H]1O,C18H26O10,pos_1_1proton,402.152597032,WOGBNISMMIOPAZ,,,,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],6,0,6.0 14645,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium platanifolium var. trilobum,7593708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 14646,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 14647,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,0,6.0 14648,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 14649,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-KQJANQFBSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",O[C@H]1[C@@H](O)[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H]1O,C18H26O10,pos_1_1proton,402.152597032,WOGBNISMMIOPAZ,,,,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],6,0,6.0 14650,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-KQJANQFBSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",O[C@H]1[C@@H](O)[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H]1O,C18H26O10,pos_1_1proton,402.152597032,WOGBNISMMIOPAZ,,,,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],6,0,6.0 14651,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium platanifolium var. trilobum,7593708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 14652,3293,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CKZPWPRHWOEACS-PDBDJCPPSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(25)18(28-11,27-7-9-4-2-1-3-5-9)17-15(24)12(21)10(20)8-26-17/h1-5,10-17,19-25H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17-,18+/m1/s1",OC[C@H]1O[C@](OCc2ccccc2)([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton,402.152597032,CKZPWPRHWOEACS,Shikimates and Phenylpropanoids,,,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 14653,3292,1698,Terpenoids,Steroids,Cardenolides,0.6272862,ISDB,JIUWTCXNUNHEGP-GJHPUSIBSA-N,"InChI=1S/C23H34O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h13,16-20H,3-12,14H2,1-2H3/t16?,17-,18+,19+,20-,22-,23+/m0/s1",C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@H]1CC[C@@H]2C1=CC(=O)OC1,C23H34O2,,342.255880328,JIUWTCXNUNHEGP,Terpenoids,Steroids,Cardenolides,Digitalis purpurea,75205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis purpurea'],4,3,8.00914478302002 14654,3290,1267,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-AEIZVZFYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,8.5 14655,3290,1267,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-AEIZVZFYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,8.5 14656,3290,1267,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-AEIZVZFYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,8.5 14657,3290,1267,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SOSLMHZOJATCCP-AEIZVZFYSA-N,"InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,SOSLMHZOJATCCP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,3,8.5 14658,3287,-1,,,,0.66452086,ISDB,VGXJTTXSNPYTSK-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3,5-6H,1,4,7H2,2H3",C=CCc1ccc2c(c1OC)OCO2,C11H12O3,,192.078644244,VGXJTTXSNPYTSK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Asarum constrictum,6029000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum constrictum'],4,0,6.658083438873291 14659,3287,-1,,,,0.66452086,ISDB,VGXJTTXSNPYTSK-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3,5-6H,1,4,7H2,2H3",C=CCc1ccc2c(c1OC)OCO2,C11H12O3,,192.078644244,VGXJTTXSNPYTSK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Asarum costatum,5700011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum costatum'],4,0,6.658083438873291 14660,3287,-1,,,,0.66452086,ISDB,VGXJTTXSNPYTSK-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3,5-6H,1,4,7H2,2H3",C=CCc1ccc2c(c1OC)OCO2,C11H12O3,,192.078644244,VGXJTTXSNPYTSK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Asarum sakawanum,5700015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum sakawanum'],4,0,6.658083438873291 14661,3287,-1,,,,0.66452086,ISDB,VGXJTTXSNPYTSK-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3,5-6H,1,4,7H2,2H3",C=CCc1ccc2c(c1OC)OCO2,C11H12O3,,192.078644244,VGXJTTXSNPYTSK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Asarum hexalobum,5699994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum hexalobum'],4,0,6.658083438873291 14662,3287,-1,,,,0.66452086,ISDB,VGXJTTXSNPYTSK-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3,5-6H,1,4,7H2,2H3",C=CCc1ccc2c(c1OC)OCO2,C11H12O3,,192.078644244,VGXJTTXSNPYTSK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Asarum hypogynum,969251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum hypogynum'],4,0,6.658083438873291 14663,3287,-1,,,,0.66452086,ISDB,VGXJTTXSNPYTSK-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3,5-6H,1,4,7H2,2H3",C=CCc1ccc2c(c1OC)OCO2,C11H12O3,,192.078644244,VGXJTTXSNPYTSK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Asarum crassum,1090084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum crassum'],4,0,6.658083438873291 14664,3287,-1,,,,0.66452086,ISDB,VGXJTTXSNPYTSK-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3,5-6H,1,4,7H2,2H3",C=CCc1ccc2c(c1OC)OCO2,C11H12O3,,192.078644244,VGXJTTXSNPYTSK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Asarum asperum,644096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum asperum'],4,0,6.658083438873291 14665,3286,1698,Terpenoids,Steroids,Cardenolides,0.55991167,ISDB,,,,,,,LWZNDYKDUGVSBN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2396466732025146 14666,3285,1539,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.92168224,ISDB,POSCXXNRWPAPHO-UHFFFAOYSA-N,"InChI=1S/C24H24O14/c1-8(25)35-7-15-18(30)20(32)21(33)24(37-15)38-23-19(31)16-11(27)5-10(26)6-13(16)36-22(23)9-3-12(28)17(29)14(4-9)34-2/h3-6,15,18,20-21,24,26-30,32-33H,7H2,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(C)=O)C(O)C(O)C2O)cc(O)c1O,C24H24O14,,536.116605448,POSCXXNRWPAPHO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,10.186728954315186 14667,3283,1921,Terpenoids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,IVYPNXXAYMYVSP-UHFFFAOYSA-N,"InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2",OCc1c[nH]c2ccccc12,C9H9NO,pos_1_1proton1isopropanol,147.068413908,IVYPNXXAYMYVSP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 14668,3282,-1,,,,0.0,MS1_match,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",CCc1ccccc1,C8H10,pos_1_1proton1methanol,106.07825032,YNQLUTRBYVCPMQ,Shikimates and Phenylpropanoids,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14669,3279,2778,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.27671894,ISDB,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],4,3,6.606875777244568 14670,3277,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.35092407,ISDB,,,,,,,XPCPXSLFKBLUNU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4036962985992432 14671,3274,1203,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1methanol,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sequoiadendron giganteum,810380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Sequoiadendron'],['Sequoiadendron giganteum'],7,3,8.5 14672,3273,1733,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5318079,ISDB,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sequoiadendron giganteum,810380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Sequoiadendron'],['Sequoiadendron giganteum'],7,3,10.62723159790039 14673,3272,-1,,,,0.74984246,ISDB,LDQSHVHRBJJNDT-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-2-5-8(4-1)9-6-3-7-10-9/h3-4,6-7H,1-2,5H2",C1=C(c2ccco2)CCC1,C9H10O,,134.07316494,LDQSHVHRBJJNDT,,,,Illicium verum,318186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium verum'],3,0,5.999369859695435 14674,3271,651,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3",COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,C16H12O6,pos_2_2proton,300.063388104,IHFBPDAQLQOCBX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,3,8.5 14675,3269,-1,,,,0.0,MS1_match,DMWFVSJPHMUFEL-UHFFFAOYSA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C(CCC3(C)C(C(C)N(C)C)CCC23C)CC2=CC(O)C(NC(=O)c3ccccc3)C(C)(C)C21,C35H52N2O4,pos_2_2proton,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 14676,3269,-1,,,,0.0,MS1_match,PZUXCVGZGCVETM-PKMGEXTCSA-N,"InChI=1S/C35H52N2O4/c1-22(37(6)7)29-25(41-23(2)39)19-33(5)27-14-13-26-31(3,21-38)28(36-30(40)24-11-9-8-10-12-24)15-16-34(26)20-35(27,34)18-17-32(29,33)4/h8-12,22,25-29,38H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,29-,31+,32+,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H52N2O4,pos_2_2proton,564.392708144,PZUXCVGZGCVETM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 14677,3268,-1,,,,0.22296123,ISDB,QGCSPPKMXOJFEM-RXYILKCJSA-N,"InChI=1S/C29H33NO7/c1-34-25-13-18(5-7-23(25)32)28-21(15-31)20-10-16(11-27(36-3)29(20)37-28)4-6-22-19-14-26(35-2)24(33)12-17(19)8-9-30-22/h5,7,10-14,21-22,28,30-33H,4,6,8-9,15H2,1-3H3/t21-,22-,28+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(CC[C@@H]4NCCc5cc(O)c(OC)cc54)cc3[C@@H]2CO)ccc1O,C29H33NO7,,507.2257023959999,QGCSPPKMXOJFEM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lobelia chinensis,104504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia chinensis'],3,0,3.891844928264618 14678,3267,-1,,,,0.0,MS1_match,IWFNDNSEUAIXJM-KVWRXITHSA-N,"InChI=1S/C32H40O18/c1-16(33)42-12-24-28(46-18(3)35)30(48-20(5)37)27(40)23(49-24)14-45-32(15-44-17(2)34)31(41)29(47-19(4)36)25(50-32)13-43-26(39)11-8-21-6-9-22(38)10-7-21/h6-11,23-25,27-31,38,40-41H,12-15H2,1-5H3/b11-8+/t23-,24-,25-,27+,28-,29+,30-,31-,32-/m1/s1",CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C32H40O18,pos_1_1proton1ammonium,712.2214644399999,IWFNDNSEUAIXJM,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 14679,3267,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_2MHNH3,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 14680,3267,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_2MHNH3,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 14681,3267,-1,,,,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_2MHNH3,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 14682,3264,-1,,,,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,0,7.0 14683,3264,-1,,,,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,0,7.0 14684,3263,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.194461844,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 14685,3263,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.194461844,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 14686,3262,486,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,pos_1_1proton,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14687,3262,486,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,pos_1_1proton1methanol,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14688,3260,717,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GUAFOGOEJLSQBT-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",COc1cc2ccc(=O)oc2cc1OC,C11H10O4,pos_1_1proton,206.0579088,GUAFOGOEJLSQBT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,3,9.5 14689,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 14690,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 14691,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 14692,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 14693,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 14694,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 14695,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 14696,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 14697,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 14698,3255,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,GHFUODOUWGINDQ-UHFFFAOYSA-N,"InChI=1S/C30H32O10/c1-36-24-9-15(4-6-22(24)33)8-19-21(14-32)28(40-30(19)35)17-10-18-20(13-31)27(39-29(18)26(12-17)38-3)16-5-7-23(34)25(11-16)37-2/h4-7,9-12,19-21,27-28,31-34H,8,13-14H2,1-3H3",COc1cc(CC2C(=O)OC(c3cc(OC)c4c(c3)C(CO)C(c3ccc(O)c(OC)c3)O4)C2CO)ccc1O,C30H32O10,pos_2_2proton,552.199547224,GHFUODOUWGINDQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Tsuga dumosa,608044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga dumosa'],6,1,6.5 14699,3254,398,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PGSGUFFVLOKDAE-VNSBBCNNSA-N,"InChI=1S/C36H54N2O5/c1-22(38(5)6)31-25(41)19-34(4)28-12-11-27-32(2,21-39)29(14-15-35(27)20-36(28,35)17-16-33(31,34)3)37-30(42)13-9-23-8-10-26(43-7)24(40)18-23/h8-10,13,18,22,25,27-29,31,39-41H,11-12,14-17,19-21H2,1-7H3,(H,37,42)/b13-9+/t22-,25+,27-,28-,29-,31-,32-,33+,34-,35+,36-/m0/s1",COc1ccc(/C=C/C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc1O,C36H54N2O5,pos_2_2proton,594.403272828,PGSGUFFVLOKDAE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 14700,3254,398,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VYBKKMOWMQANMV-RBODEHBJSA-N,"InChI=1S/C36H54N2O5/c1-23(37(6)7)31-28(43-24(2)40)21-35(5)27-14-15-29-33(3,22-39)30(38(8)32(41)25-12-10-9-11-13-25)17-19-36(29,42)20-26(27)16-18-34(31,35)4/h9-13,16,23,27-31,39,42H,14-15,17-22H2,1-8H3/t23-,27+,28+,29-,30-,31-,33-,34+,35-,36+/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@](O)(CC[C@H](N(C)C(=O)c5ccccc5)[C@@]4(C)CO)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C36H54N2O5,pos_2_2proton,594.403272828,VYBKKMOWMQANMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,8.5 14701,3250,486,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1methanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14702,3250,486,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1methanol,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14703,3249,2370,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PGSXQGHJRODCQQ-GQAUQGLESA-N,"InChI=1S/C25H34O10/c1-31-21-11-15(4-3-9-26)5-7-19(21)34-17(13-27)10-16-6-8-20(22(12-16)32-2)35-25-24(30)23(29)18(28)14-33-25/h5-8,11-12,17-18,23-30H,3-4,9-10,13-14H2,1-2H3/t17-,18-,23+,24-,25+/m1/s1",COc1cc(CCCO)ccc1O[C@@H](CO)Cc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C25H34O10,pos_1_1sodium,494.2151972879998,PGSXQGHJRODCQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,3,7.5 14704,3248,-1,,,,0.0,MS1_match,WDERTWRXKAEKCP-KVIBCQEESA-N,"InChI=1S/C22H30O3/c1-18(2)13-5-6-14-19(3)9-7-16(24)20(19,4)11-17(25)22(14)12-21(13,22)10-8-15(18)23/h8,10,13-14,17,25H,5-7,9,11-12H2,1-4H3/t13-,14-,17+,19-,20+,21+,22-/m0/s1",CC1(C)C(=O)C=C[C@]23C[C@]24[C@H](O)C[C@]2(C)C(=O)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C22H30O3,pos_1_1proton1ethylamine,342.21949482,WDERTWRXKAEKCP,Terpenoids,Triterpenoids,,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 14705,3247,-1,,,,0.6770325,ISDB,FGQOOHJZONJGDT-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-3-6(5-9)2-7(10)4-8/h2-5,10H,1H3",COc1cc(O)cc(C=O)c1,C8H8O3,,152.047344116,FGQOOHJZONJGDT,Shikimates and Phenylpropanoids,,,Carya cathayensis,199047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Carya'],['Carya cathayensis'],5,0,7.7081298828125 14706,3246,1116,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1sodium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 14707,3243,1146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14708,3243,1146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14709,3243,1146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14710,3239,2480,Terpenoids,Sesquiterpenoids,Apocarotenoids(ε-),0.2822313,ISDB,GBHKILLDPRFXNU-UMCKCUICSA-N,"InChI=1S/C15H22O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,12,16-17,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+",CC1=CC(O)CC(C)(CO)C1(O)/C=C/C(C)=C/C(=O)O,C15H22O5,,282.146723804,GBHKILLDPRFXNU,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],3,3,5.628925204277039 14711,3238,-1,,,,0.45994002,ISDB,QLWWHKBNZGCCJP-ONERCXAPSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-12(8)16)10(3)14-13(17)6-9(2)15(14)18/h4-7,10,14-16,18H,1-3H3/t10-,14+,15+/m1/s1",CC1=CC(=O)[C@H]([C@H](C)c2ccc(C)c(O)c2)[C@H]1O,C15H18O3,,246.125594436,QLWWHKBNZGCCJP,Terpenoids,,,Abies delavayi,723562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies delavayi'],6,0,7.839760065078735 14712,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus albicaulis,786785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus albicaulis'],5,0,6.931444406509399 14713,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],5,0,6.931444406509399 14714,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus balfouriana,1044480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus balfouriana'],5,0,6.931444406509399 14715,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,6.931444406509399 14716,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,0,6.931444406509399 14717,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],5,0,6.931444406509399 14718,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,0,6.931444406509399 14719,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],5,0,6.931444406509399 14720,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus parviflora,837898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus parviflora'],5,0,6.931444406509399 14721,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,6.931444406509399 14722,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],5,0,6.931444406509399 14723,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ayacahuite,786788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ayacahuite'],5,0,6.931444406509399 14724,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus lumholtzii,212480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lumholtzii'],5,0,6.931444406509399 14725,3237,-1,,,,0.4828611,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobiformis,262953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobiformis'],5,0,6.931444406509399 14726,3235,-1,,,,0.5471588,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Chamaecyparis formosensis,800340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis formosensis'],4,0,6.1886351108551025 14727,3235,-1,,,,0.5471588,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Chamaecyparis lawsoniana,582844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis lawsoniana'],4,0,6.1886351108551025 14728,3235,-1,,,,0.5471588,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Xanthocyparis nootkatensis,603160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Callitropsis'],['Callitropsis nootkatensis'],4,0,6.1886351108551025 14729,3235,-1,,,,0.5471588,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Callitropsis nootkatensis,603160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Callitropsis'],['Callitropsis nootkatensis'],4,0,6.1886351108551025 14730,3234,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 14731,3234,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 14732,3233,-1,,,,0.0,MS1_match,KHVMAMXQPVHXTJ-ORYXKJSJSA-N,"InChI=1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-13(28)11(26)10-8(24)4-9(25)17(18(10)33-16)34-21-15(30)12(27)14(29)19(35-21)20(31)32/h1-4,12,14-15,19,21-25,27-30H,(H,31,32)/t12-,14-,15+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O14,pos_1_1proton,494.0696552559997,KHVMAMXQPVHXTJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helicteres isora,3942803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Helicteres'],['Helicteres isora'],6,0,6.0 14733,3233,-1,,,,0.0,MS1_match,KHVMAMXQPVHXTJ-ORYXKJSJSA-N,"InChI=1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-13(28)11(26)10-8(24)4-9(25)17(18(10)33-16)34-21-15(30)12(27)14(29)19(35-21)20(31)32/h1-4,12,14-15,19,21-25,27-30H,(H,31,32)/t12-,14-,15+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O14,pos_1_1proton,494.0696552559997,KHVMAMXQPVHXTJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Abelmoschus manihot,17450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abelmoschus'],['Abelmoschus manihot'],6,0,6.0 14734,3233,-1,,,,0.0,MS1_match,WSYAMFPDJDZYOA-OUSNGKMTSA-N,"InChI=1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-18(12(27)10-8(24)4-9(25)11(26)17(10)33-16)34-21-15(30)13(28)14(29)19(35-21)20(31)32/h1-4,13-15,19,21-26,28-30H,(H,31,32)/t13-,14-,15-,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3c(O)c(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O,C21H18O14,pos_1_1proton,494.0696552559998,WSYAMFPDJDZYOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Chiranthodendron pentadactylon,578280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Chiranthodendron'],['Chiranthodendron pentadactylon'],6,0,6.0 14735,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Galium triflorum,952328.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Rubieae'],['Galium'],['Galium triflorum'],4,0,6.968250274658203 14736,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Justicia pectoralis,7054014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Justicia'],['Justicia pectoralis'],4,0,6.968250274658203 14737,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Melilotus albus,38042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus albus'],4,0,6.968250274658203 14738,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Glebionis coronaria,472707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis coronaria'],4,0,6.968250274658203 14739,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Glebionis segetum,775935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis segetum'],4,0,6.968250274658203 14740,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],4,0,6.968250274658203 14741,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Lasiolaena morii,5920860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Lasiolaena'],['Lasiolaena morii'],4,0,6.968250274658203 14742,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],4,0,6.968250274658203 14743,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.968250274658203 14744,3232,-1,,,,0.74206257,ISDB,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",O=C1CCc2ccccc2O1,C9H8O2,,148.052429496,VMUXSMXIQBNMGZ,Shikimates and Phenylpropanoids,,,Achillea filipendulina,245238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea filipendulina'],4,0,6.968250274658203 14745,3230,-1,,,,0.0,MS1_match,UKYKCLFPJXHNON-ZWMPHZAGSA-N,"InChI=1S/C16H24O10/c1-24-9-4-7(2-3-8(9)19)12(20)10(5-17)25-16-15(23)14(22)13(21)11(6-18)26-16/h2-4,10-23H,5-6H2,1H3/t10-,11+,12-,13+,14-,15+,16+/m0/s1",COc1cc([C@H](O)[C@H](CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H24O10,pos_1_1proton1acetonitrile,376.1369469679999,UKYKCLFPJXHNON,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 14746,3230,-1,,,,0.0,MS1_match,JUYHDXTVLYGGTJ-BRERNLBNSA-N,"InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)18)12(20)9(19)6-25-16-15(23)14(22)13(21)11(5-17)26-16/h2-4,9,11-23H,5-6H2,1H3/t9-,11-,12-,13-,14+,15-,16-/m1/s1",COc1cc([C@@H](O)[C@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H24O10,pos_1_1proton1acetonitrile,376.1369469679999,JUYHDXTVLYGGTJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 14747,3229,-1,,,,0.0,MS1_match,RAXRINJGLHOGPS-BXKSLHLRSA-N,"InChI=1S/C22H34O2/c1-7-16(2)9-11-19-17(3)10-12-20-21(5,15-24-18(4)23)13-8-14-22(19,20)6/h7,9,19-20H,1,3,8,10-15H2,2,4-6H3/b16-9-/t19-,20-,21+,22+/m0/s1",C=C/C(C)=C\C[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C,C22H34O2,pos_1_minus1proton1iron,330.255880328,RAXRINJGLHOGPS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 14748,3229,-1,,,,0.0,MS1_match,FURHYCBPWRCHKE-RRASFTJPSA-N,"InChI=1S/C22H34O2/c1-8-15(2)9-11-19-16(3)10-12-20-21(5,6)13-18(24-17(4)23)14-22(19,20)7/h8-9,18-20H,1,3,10-14H2,2,4-7H3/b15-9+/t18-,19+,20+,22-/m1/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@]12C,C22H34O2,pos_1_minus1proton1iron,330.255880328,FURHYCBPWRCHKE,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 14749,3226,1950,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7531572,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,11.51262879371643 14750,3226,1950,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7531572,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.51262879371643 14751,3225,302,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,FINKSGWSBJRISB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5,10H,1-2H3",COC(=O)c1ccc(O)cc1C,C9H10O3,pos_1_1proton,166.06299418,FINKSGWSBJRISB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Liriodendron tulipifera,777299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Liriodendron'],['Liriodendron tulipifera'],6,1,6.5 14752,3224,-1,,,,0.38996994,ISDB,ZKTIVYXHMCZVOI-FUZVIZNDSA-N,"InChI=1S/C40H52O4/c1-28(16-12-17-29(2)21-23-40-38(7,8)26-33(41)27-39(40,9)44-40)14-10-11-15-30(3)24-34-25-32(36(42)43-34)19-20-35-31(4)18-13-22-37(35,5)6/h10-18,21-25,33,35,41H,19-20,26-27H2,1-9H3/b11-10+,16-12+,23-21+,28-14+,29-17+,30-15+,34-24-/t33-,35-,39+,40-/m0/s1",CC1=CC=CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O,C40H52O4,,596.386560144,ZKTIVYXHMCZVOI,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Mantoniella squamata,696465.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Mamiellophyceae'],['Mamiellales'],['Mamiellaceae'],['Unknown'],['Mantoniella'],['Mantoniella squamata'],2,0,3.559879779815674 14753,3224,-1,,,,0.38996994,ISDB,ZKTIVYXHMCZVOI-FUZVIZNDSA-N,"InChI=1S/C40H52O4/c1-28(16-12-17-29(2)21-23-40-38(7,8)26-33(41)27-39(40,9)44-40)14-10-11-15-30(3)24-34-25-32(36(42)43-34)19-20-35-31(4)18-13-22-37(35,5)6/h10-18,21-25,33,35,41H,19-20,26-27H2,1-9H3/b11-10+,16-12+,23-21+,28-14+,29-17+,30-15+,34-24-/t33-,35-,39+,40-/m0/s1",CC1=CC=CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O,C40H52O4,,596.386560144,ZKTIVYXHMCZVOI,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Micromonas pusilla,216381.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Mamiellophyceae'],['Mamiellales'],['Mamiellaceae'],['Unknown'],['Micromonas'],['Micromonas pusilla'],2,0,3.559879779815674 14754,3223,2549,Amino acids and Peptides,Steroids,Pregnane steroids,0.43985882,ISDB,AEKBQYOSHUYACR-AHWJCDHHSA-N,"InChI=1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20+,23-,24-,25+,26-,29-,30+,31+,32-/m0/s1",CC1=C[C@]2(C)[C@@H]3C(C)=C[C@]4(C)C[C@@H](C)CC[C@H]4[C@@H]3C(=O)[C@@]23C(=O)N[C@@](O)(Cc2ccc(O)cc2)[C@@H]3[C@@H]1C,C32H41NO4,,503.303558792,AEKBQYOSHUYACR,,,,Phomopsis,712313.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Diaporthaceae'],['Unknown'],['Phomopsis'],['Unknown'],1,0,2.759435296058655 14755,3223,2549,Amino acids and Peptides,Steroids,Pregnane steroids,0.43985882,ISDB,AEKBQYOSHUYACR-LSRUSGMUSA-N,"InChI=1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20-,23+,24+,25-,26-,29+,30-,31+,32+/m0/s1",CC1=C[C@@]2(C)[C@H]3C(C)=C[C@@]4(C)C[C@@H](C)CC[C@@H]4[C@H]3C(=O)[C@]23C(=O)N[C@@](O)(Cc2ccc(O)cc2)[C@@H]3[C@H]1C,C32H41NO4,,503.303558792,AEKBQYOSHUYACR,,,,Diaporthe,737681.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Diaporthaceae'],['Unknown'],['Diaporthe'],['Unknown'],1,0,2.759435296058655 14756,3222,1416,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.38655263,ISDB,HVGFSQLIBCTJOV-PDUXUGCPSA-N,"InChI=1S/C32H53ClO5/c1-19(34)37-25-14-15-28(6)22(26(25,2)3)13-17-30(8)23(28)11-10-20-21(12-16-29(20,30)7)31(9)18-24(33)32(36,38-31)27(4,5)35/h20-25,35-36H,10-18H2,1-9H3/t20-,21+,22+,23-,24-,25-,28+,29-,30-,31+,32+/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)C[C@@H](Cl)[C@@](O)(C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H53ClO5,,552.358152476,HVGFSQLIBCTJOV,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Aglaia lawii,978991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia lawii'],4,1,6.046210527420044 14757,3220,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 14758,3220,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.0 14759,3217,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6474412,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.089764833450317 14760,3217,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6474412,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.089764833450317 14761,3216,-1,,,,0.91585207,ISDB,JMFWYRWPJVEZPV-UHFFFAOYSA-N,"InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,C23H24O13,,508.121690828,JMFWYRWPJVEZPV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],7,0,10.663408279418945 14762,3215,502,Shikimates and Phenylpropanoids,Isoflavonoids,Azaphilones,0.5450809,ISDB,GLPDBGACWOZVNL-ZETCQYMHSA-N,"InChI=1S/C9H8O4/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-3,7,10-11H,4H2/t7-/m0/s1",O=C1c2ccc(O)cc2OC[C@@H]1O,C9H8O4,,180.042258736,GLPDBGACWOZVNL,Shikimates and Phenylpropanoids,Isoflavonoids,,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],4,2,7.180323600769043 14763,3214,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.33532694,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,9.841307759284973 14764,3210,937,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.22414964,ISDB,IVQFRPZHDFKKNP-XTCMNXESSA-N,"InChI=1S/C26H34O10/c1-7-13(3)23(29)36-22-18-15(5)24(30)35-21(18)19(28)14(4)10-9-11-17(26(32)33-6)20(22)34-25(31)16(8-2)12-27/h8,11,13,18-22,27-28H,4-5,7,9-10,12H2,1-3,6H3/b16-8-,17-11+/t13?,18-,19-,20-,21-,22-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)CC)[C@@H](OC(=O)/C(=C\C)CO)/C(C(=O)OC)=C\CCC(=C)[C@@H]2O,C26H34O10,,506.215197288,IVQFRPZHDFKKNP,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tetragonotheca ludoviciana,3898760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Tetragonotheca'],['Tetragonotheca ludoviciana'],3,3,5.39659857749939 14765,3210,937,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.22414964,ISDB,IVQFRPZHDFKKNP-XTCMNXESSA-N,"InChI=1S/C26H34O10/c1-7-13(3)23(29)36-22-18-15(5)24(30)35-21(18)19(28)14(4)10-9-11-17(26(32)33-6)20(22)34-25(31)16(8-2)12-27/h8,11,13,18-22,27-28H,4-5,7,9-10,12H2,1-3,6H3/b16-8-,17-11+/t13?,18-,19-,20-,21-,22-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)CC)[C@@H](OC(=O)/C(=C\C)CO)/C(C(=O)OC)=C\CCC(=C)[C@@H]2O,C26H34O10,,506.215197288,IVQFRPZHDFKKNP,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tetragonotheca repanda,722727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Tetragonotheca'],['Tetragonotheca repanda'],3,3,5.39659857749939 14766,3209,-1,,,,0.25161222,ISDB,ASKMQWNFJCKQFN-FBCSBBLUSA-N,"InChI=1S/C26H32O9/c1-22-13-7-15(28)24(3)19(25(13,10-34-21(22)32)16(29)8-14(22)27)18(30)20(31)23(2)12(11-4-5-33-9-11)6-17-26(23,24)35-17/h4-5,9,12-17,19-20,27-29,31H,6-8,10H2,1-3H3/t12-,13-,14+,15+,16-,17+,19-,20-,22+,23+,24+,25+,26+/m0/s1",C[C@@]12C(=O)OC[C@]3([C@H]4C(=O)[C@H](O)[C@@]5(C)[C@H](c6ccoc6)C[C@H]6O[C@]65[C@]4(C)[C@H](O)C[C@@H]13)[C@@H](O)C[C@H]2O,C26H32O9,,488.204632604,ASKMQWNFJCKQFN,Terpenoids,Triterpenoids,Limonoids,Melia azedarach,916052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Melia'],['Melia azedarach'],3,0,4.006448864936829 14767,3208,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6054547,ISDB,ZSSOEDOJNKLXOG-HNAYVOBHSA-N,"InChI=1S/C19H22O5/c1-23-18-10-13(5-6-16(18)22)19-15(11-21)14-9-12(3-2-8-20)4-7-17(14)24-19/h4-7,9-10,15,19-22H,2-3,8,11H2,1H3/t15-,19+/m0/s1",COc1cc([C@H]2Oc3ccc(CCCO)cc3[C@@H]2CO)ccc1O,C19H22O5,,330.146723804,ZSSOEDOJNKLXOG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.921818733215332 14768,3208,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6054547,ISDB,ZSSOEDOJNKLXOG-HNAYVOBHSA-N,"InChI=1S/C19H22O5/c1-23-18-10-13(5-6-16(18)22)19-15(11-21)14-9-12(3-2-8-20)4-7-17(14)24-19/h4-7,9-10,15,19-22H,2-3,8,11H2,1H3/t15-,19+/m0/s1",COc1cc([C@H]2Oc3ccc(CCCO)cc3[C@@H]2CO)ccc1O,C19H22O5,,330.146723804,ZSSOEDOJNKLXOG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Cedrus deodara,924430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Cedrus'],['Cedrus deodara'],5,3,8.921818733215332 14769,3208,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6054547,ISDB,ZSSOEDOJNKLXOG-HNAYVOBHSA-N,"InChI=1S/C19H22O5/c1-23-18-10-13(5-6-16(18)22)19-15(11-21)14-9-12(3-2-8-20)4-7-17(14)24-19/h4-7,9-10,15,19-22H,2-3,8,11H2,1H3/t15-,19+/m0/s1",COc1cc([C@H]2Oc3ccc(CCCO)cc3[C@@H]2CO)ccc1O,C19H22O5,,330.146723804,ZSSOEDOJNKLXOG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],5,3,8.921818733215332 14770,3207,937,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.45135963,ISDB,HCIHJOTZGZSMLV-UHFFFAOYSA-N,"InChI=1S/C22H16N2O/c25-22-19-14-8-7-13-18(19)20(23-16-9-3-1-4-10-16)15-21(22)24-17-11-5-2-6-12-17/h1-15,23H",O=C1C(=Nc2ccccc2)C=C(Nc2ccccc2)c2ccccc21,C22H16N2O,,324.126263132,HCIHJOTZGZSMLV,Shikimates and Phenylpropanoids,,,Reseda luteola,359604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Resedaceae'],['Unknown'],['Reseda'],['Reseda luteola'],3,1,5.30543851852417 14771,3206,937,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.5132111,ISDB,VGSSDIJIZFPPLT-UODUVPGPSA-N,"InChI=1S/C16H18O6/c1-8(14(18)20-3)13-10(17)7-16(2)12(22-16)5-4-9-6-11(13)21-15(9)19/h6,11-12H,4-5,7H2,1-3H3/b13-8+/t11-,12+,16-/m0/s1",COC(=O)/C(C)=C1\C(=O)C[C@]2(C)O[C@@H]2CCC2=C[C@@H]1OC2=O,C16H18O6,,306.110338296,VGSSDIJIZFPPLT,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],3,3,6.552844285964966 14772,3205,937,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.3486941,ISDB,ITFJPAQQKHMDBK-CIKFHZRBSA-N,"InChI=1S/C15H18O6/c1-6-12-9-3-7(14(18)19-9)8(16)4-11-15(2,21-11)5-10(12)20-13(6)17/h3,6,8-12,16H,4-5H2,1-2H3/t6-,8-,9+,10+,11-,12-,15+/m1/s1",C[C@H]1C(=O)O[C@H]2C[C@]3(C)O[C@@H]3C[C@@H](O)C3=C[C@H](OC3=O)[C@H]21,C15H18O6,,294.110338296,ITFJPAQQKHMDBK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania micrantha,266305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania micrantha'],3,3,5.894776344299316 14773,3205,937,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.3486941,ISDB,ITFJPAQQKHMDBK-GEIXFDOLSA-N,"InChI=1S/C15H18O6/c1-6-12-9-3-7(14(18)19-9)8(16)4-11-15(2,21-11)5-10(12)20-13(6)17/h3,6,8-12,16H,4-5H2,1-2H3/t6-,8+,9-,10+,11+,12+,15+/m1/s1",C[C@H]1C(=O)O[C@H]2C[C@]3(C)O[C@H]3C[C@H](O)C3=C[C@@H](OC3=O)[C@@H]21,C15H18O6,,294.110338296,ITFJPAQQKHMDBK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania cordata,44709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordata'],3,3,5.894776344299316 14774,3204,-1,,,,0.65988344,ISDB,HEURTYMJWQPWNN-LBPRGKRZSA-N,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1",COC1=CC(=O)O[C@@H](CCc2ccc(OC)c(OC)c2)C1,C16H20O5,,292.13107374,HEURTYMJWQPWNN,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],3,0,5.639533758163452 14775,3204,-1,,,,0.65988344,ISDB,HEURTYMJWQPWNN-LBPRGKRZSA-N,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1",COC1=CC(=O)O[C@@H](CCc2ccc(OC)c(OC)c2)C1,C16H20O5,,292.13107374,HEURTYMJWQPWNN,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Piper peltatum,1081789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper peltatum'],3,0,5.639533758163452 14776,3204,-1,,,,0.65988344,ISDB,HEURTYMJWQPWNN-LBPRGKRZSA-N,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1",COC1=CC(=O)O[C@@H](CCc2ccc(OC)c(OC)c2)C1,C16H20O5,,292.13107374,HEURTYMJWQPWNN,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Piper majusculum,814732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper majusculum'],3,0,5.639533758163452 14777,3204,-1,,,,0.65988344,ISDB,HEURTYMJWQPWNN-LBPRGKRZSA-N,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1",COC1=CC(=O)O[C@@H](CCc2ccc(OC)c(OC)c2)C1,C16H20O5,,292.13107374,HEURTYMJWQPWNN,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Piper methysticum,1081778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper methysticum'],3,0,5.639533758163452 14778,3204,-1,,,,0.65988344,ISDB,HEURTYMJWQPWNN-LBPRGKRZSA-N,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1",COC1=CC(=O)O[C@@H](CCc2ccc(OC)c(OC)c2)C1,C16H20O5,,292.13107374,HEURTYMJWQPWNN,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Macropiper latifolium,929914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Macropiper'],['Macropiper latifolium'],3,0,5.639533758163452 14779,3204,-1,,,,0.65988344,ISDB,HEURTYMJWQPWNN-LBPRGKRZSA-N,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1",COC1=CC(=O)O[C@@H](CCc2ccc(OC)c(OC)c2)C1,C16H20O5,,292.13107374,HEURTYMJWQPWNN,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Piper latifolium,929914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Macropiper'],['Macropiper latifolium'],3,0,5.639533758163452 14780,3204,-1,,,,0.65988344,ISDB,HEURTYMJWQPWNN-LBPRGKRZSA-N,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1",COC1=CC(=O)O[C@@H](CCc2ccc(OC)c(OC)c2)C1,C16H20O5,,292.13107374,HEURTYMJWQPWNN,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Macropiper methysticum,289399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guahamense'],3,0,5.639533758163452 14781,3204,-1,,,,0.65988344,ISDB,HEURTYMJWQPWNN-LBPRGKRZSA-N,"InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3/t12-/m0/s1",COC1=CC(=O)O[C@@H](CCc2ccc(OC)c(OC)c2)C1,C16H20O5,,292.13107374,HEURTYMJWQPWNN,Shikimates and Phenylpropanoids,Styrylpyrones,Kavalactones and derivatives,Aniba hostmanniana,679883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba hostmanniana'],3,0,5.639533758163452 14782,3203,-1,,,,0.7330393,ISDB,IFWYNKLMRXRPKE-UHFFFAOYSA-N,"InChI=1S/C16H16O5/c1-8-5-9-10(6-12(8)19-3)14-11(7-13(9)20-4)16(2,18)21-15(14)17/h5-7,18H,1-4H3",COc1cc2c3c(cc(OC)c2cc1C)C(C)(O)OC3=O,C16H16O5,,288.099773612,IFWYNKLMRXRPKE,Polyketides,,,Strophioblachia fimbricalyx,788214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Codiaeae'],['Strophioblachia'],['Strophioblachia fimbricalyx'],3,0,5.932157278060913 14783,3202,1230,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.618872,ISDB,PHMHDRYYFAYWEG-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O,C15H14O4,,258.089208928,PHMHDRYYFAYWEG,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Larix laricina,804263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix laricina'],5,3,8.97548794746399 14784,3201,-1,,,,0.8128788,ISDB,WASCCALFIICCMS-UHFFFAOYSA-N,"InChI=1S/C13H12O4/c1-16-11-7-9(13(15)17-2)6-8-4-3-5-10(14)12(8)11/h3-7,14H,1-2H3",COC(=O)c1cc(OC)c2c(O)cccc2c1,C13H12O4,,232.073558864,WASCCALFIICCMS,Polyketides,Naphthalenes,Naphthalenes and derivatives,Drosophyllum lusitanicum,587613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Drosophyllaceae'],['Unknown'],['Drosophyllum'],['Drosophyllum lusitanicum'],3,0,6.25151515007019 14785,3200,1230,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.7518603,ISDB,BTMTZTQPWMTINP-UHFFFAOYSA-N,"InChI=1S/C13H12O3/c1-16-13-7-10(6-12(15)8-13)9-2-4-11(14)5-3-9/h2-8,14-15H,1H3",COc1cc(O)cc(-c2ccc(O)cc2)c1,C13H12O3,,216.078644244,BTMTZTQPWMTINP,Shikimates and Phenylpropanoids,Isoflavonoids,,Garcinia linii,6099763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia linii'],3,1,6.507441282272339 14786,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia coco,881610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia coco'],7,0,7.0 14787,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 14788,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-UVUHDAHQSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25-,26-,28+/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119998,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 14789,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia coco,881610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia coco'],7,0,7.0 14790,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 14791,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-UVUHDAHQSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25-,26-,28+/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119998,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 14792,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia coco,881610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia coco'],7,0,7.0 14793,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 14794,3198,-1,,,,0.0,MS1_match,WEKCEGQSIIQPAQ-UVUHDAHQSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25-,26-,28+/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1sodium,580.2155912119998,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 14795,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia coco,881610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia coco'],7,3,8.5 14796,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 14797,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-UVUHDAHQSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25-,26-,28+/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119998,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 14798,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia coco,881610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia coco'],7,3,8.5 14799,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 14800,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-UVUHDAHQSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25-,26-,28+/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119998,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 14801,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia coco,881610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia coco'],7,3,8.5 14802,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-FKLBZQFOSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119999,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 14803,3197,3502,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,WEKCEGQSIIQPAQ-UVUHDAHQSA-N,"InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25-,26-,28+/m1/s1",COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O,C28H36O13,pos_1_1proton1ammonium,580.2155912119998,WEKCEGQSIIQPAQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 14804,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Erycibe obtusifolia,5760414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Erycibeae'],['Erycibe'],['Erycibe obtusifolia'],4,3,7.941229581832886 14805,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Diatenopteryx sorbifolia,180177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Paullinieae'],['Diatenopteryx'],['Diatenopteryx sorbifolia'],4,3,7.941229581832886 14806,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-RDJZCZTQSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m0/s1",COc1cc([C@@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,3,7.941229581832886 14807,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-UHFFFAOYSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3",COc1cc(C2Oc3c(c(OC)cc4ccc(=O)oc34)OC2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Erycibe,261703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Erycibeae'],['Erycibe'],['Unknown'],4,3,7.941229581832886 14808,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Amaroria soulameoides,708237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Amaroria'],['Amaroria soulameoides'],4,3,7.941229581832886 14809,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Matayba arborescens,452731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Unknown'],['Matayba'],['Matayba arborescens'],4,3,7.941229581832886 14810,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Simaba orinocensis,1010322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simaba'],['Simaba orinocensis'],4,3,7.941229581832886 14811,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Odyendyea klaineana,6128077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Quassia'],['Quassia undulata'],4,3,7.941229581832886 14812,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Arivela viscosa,500051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Corynandra'],['Corynandra viscosa'],4,3,7.941229581832886 14813,3196,1285,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,0.6103074,ISDB,XGADTAYOFHOFIW-NVXWUHKLSA-N,"InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-19-14(25-2)8-11-4-6-16(23)27-18(11)20(19)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1",COc1cc([C@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@@H]2CO)ccc1O,C20H18O8,,386.1001675359999,XGADTAYOFHOFIW,Shikimates and Phenylpropanoids,Coumarins,Coumarinolignans,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],4,3,7.941229581832886 14814,3195,1416,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YUUHBLRWEZLNID-KRLRGZGNSA-N,"InChI=1S/C33H46N2O5/c1-18(34(5)6)23-13-14-24-22-11-12-26-29(40-19(2)36)28(35-30(38)20-9-7-8-10-21(20)31(35)39)27(37)17-33(26,4)25(22)15-16-32(23,24)3/h7-10,18,22-29,37H,11-17H2,1-6H3/t18-,22-,23+,24-,25-,26+,27+,28-,29+,32+,33+/m0/s1",CC(=O)O[C@H]1[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](O)C[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]12,C33H46N2O5,pos_1_1proton1methanol,550.3406725719999,YUUHBLRWEZLNID,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,1,6.5 14815,3194,1146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14816,3189,399,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5011038,ISDB,JMNDJFQMPPGUNI-UHFFFAOYSA-N,"InChI=1S/C35H50N2O5/c1-20(37(7)8)24-14-15-33(5)27-17-26(41-21(2)38)29-23(18-35(27)28(42-35)19-34(24,33)6)16-25(39)30(32(29,3)4)36-31(40)22-12-10-9-11-13-22/h9-13,16,20,24-30,39H,14-15,17-19H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C3(CC4=CC(O)C(NC(=O)c5ccccc5)C(C)(C)C41)OC3CC1(C)C(C(C)N(C)C)CCC21C,C35H50N2O5,,578.3719727,JMNDJFQMPPGUNI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.504415273666382 14817,3187,2773,Terpenoids,Pseudoalkaloids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14818,3185,3062,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JMNDJFQMPPGUNI-UHFFFAOYSA-N,"InChI=1S/C35H50N2O5/c1-20(37(7)8)24-14-15-33(5)27-17-26(41-21(2)38)29-23(18-35(27)28(42-35)19-34(24,33)6)16-25(39)30(32(29,3)4)36-31(40)22-12-10-9-11-13-22/h9-13,16,20,24-30,39H,14-15,17-19H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C3(CC4=CC(O)C(NC(=O)c5ccccc5)C(C)(C)C41)OC3CC1(C)C(C(C)N(C)C)CCC21C,C35H50N2O5,pos_2_2proton,578.3719727,JMNDJFQMPPGUNI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14819,3184,-1,,,,0.0,MS1_match,VOXZDWNPVJITMN-PNKHAZJDSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16+,17-,18-/m0/s1",C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O,C18H24O2,pos_2_2proton,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],6,0,6.0 14820,3184,-1,,,,0.0,MS1_match,OKGZCXPDJKKZAP-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3",Cc1ccc(CO)cc1C,C9H12O,pos_1_1proton,136.088815004,OKGZCXPDJKKZAP,,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 14821,3184,-1,,,,0.0,MS1_match,PPBRXRYQALVLMV-UHFFFAOYSA-N,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",C=Cc1ccccc1,C8H8,pos_1_1proton1methanol,104.062600256,PPBRXRYQALVLMV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 14822,3183,-1,,,,0.0,MS1_match,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,pos_1_1sodium,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,9.0 14823,3183,-1,,,,0.0,MS1_match,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,pos_1_1sodium,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,9.0 14824,3181,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.75456023,ISDB,KZQCBBYGLMOAMI-UHFFFAOYSA-N,"InChI=1S/C11H10O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,14H,2-3H2,1H3",Cc1cc(O)c2c(c1)C(=O)CCC2=O,C11H10O3,,190.06299418,KZQCBBYGLMOAMI,Polyketides,Naphthalenes,Naphthoquinones,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],8,0,11.018240928649902 14825,3177,-1,,,,0.3688679,ISDB,CAEKPXPCBHMMGC-UHFFFAOYSA-N,"InChI=1S/C22H18O6/c1-9-5-12-19(16(25)6-9)17(26)8-13(21(12)27)18-10(2)7-11-14(23)3-4-15(24)20(11)22(18)28/h5-8,14,23,25,28H,3-4H2,1-2H3",Cc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)CCC3O)=CC2=O,C22H18O6,,378.110338296,CAEKPXPCBHMMGC,Polyketides,Naphthalenes,Bisnaphthalenes,Diospyros,525017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Unknown'],7,0,8.47547161579132 14826,3177,-1,,,,0.3688679,ISDB,CAEKPXPCBHMMGC-CQSZACIVSA-N,"InChI=1S/C22H18O6/c1-9-5-12-19(16(25)6-9)17(26)8-13(21(12)27)18-10(2)7-11-14(23)3-4-15(24)20(11)22(18)28/h5-8,14,23,25,28H,3-4H2,1-2H3/t14-/m1/s1",Cc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)CC[C@H]3O)=CC2=O,C22H18O6,,378.110338296,CAEKPXPCBHMMGC,Polyketides,Naphthalenes,Bisnaphthalenes,Diospyros montana,422021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros montana'],7,0,8.47547161579132 14827,3176,475,Polyketides,Naphthalenes,Naphthoquinones,0.78519225,ISDB,YJYNIQQTZMGISK-UHFFFAOYSA-N,"InChI=1S/C22H16O6/c1-9-7-15(25)19-13(23)5-3-11(17(19)21(9)27)12-4-6-14(24)20-16(26)8-10(2)22(28)18(12)20/h3-7,10,23-24H,8H2,1-2H3",CC1=CC(=O)c2c(O)ccc(-c3ccc(O)c4c3C(=O)C(C)CC4=O)c2C1=O,C22H16O6,,376.094688232,YJYNIQQTZMGISK,Polyketides,Naphthalenes,Naphthoquinones,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],7,3,11.640769004821777 14828,3175,2549,Amino acids and Peptides,Steroids,Pregnane steroids,0.39913818,ISDB,HKXBQPCKPGEUKH-ZMIGGIFCSA-N,"InChI=1S/C33H43NO5/c1-21(2)11-10-12-23(5)16-18-38-29-20-27-25(7)34(33(35)31(27)32(37-9)24(29)6)28-14-13-26(36-8)19-30(28)39-17-15-22(3)4/h11,13-16,19-20,25H,10,12,17-18H2,1-9H3/b23-16+/t25-/m0/s1",COc1ccc(N2C(=O)c3c(cc(OC/C=C(\C)CCC=C(C)C)c(C)c3OC)[C@@H]2C)c(OCC=C(C)C)c1,C33H43NO5,,533.314123476,HKXBQPCKPGEUKH,,,,Stachylidium,420577.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Glomerellales'],['Plectosphaerellaceae'],['Unknown'],['Stachylidium'],['Unknown'],1,0,2.5965527296066284 14829,3173,-1,,,,0.0,MS1_match,XAEXDDRZTSBTMR-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-22(35)25(41-20(33)9-6-16-4-7-17(32)8-5-16)27(42-19,12-38-14(2)30)43-26-24(39-15(3)31)23(36)21(34)18(10-28)40-26/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,XAEXDDRZTSBTMR,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14830,3173,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14831,3173,-1,,,,0.0,MS1_match,IUWNEFXWBDZQHK-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,IUWNEFXWBDZQHK,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14832,3173,-1,,,,0.0,MS1_match,OYHUIOMLUYPLSY-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(29)37-10-18-21(34)23(36)24(39-15(3)31)26(40-18)43-27(12-28)25(22(35)19(42-27)11-38-14(2)30)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,OYHUIOMLUYPLSY,Terpenoids,,,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 14833,3173,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 14834,3173,-1,,,,0.0,MS1_match,MTCNFFCDPXLWCX-HBDYSYHISA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)24(39-15(3)31)23(36)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24+,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,MTCNFFCDPXLWCX,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14835,3173,-1,,,,0.0,MS1_match,UZVXGFFYDMWFAY-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-23(38-14(2)31)24(39-15(3)32)22(36)26(40-19)43-27(12-29)25(21(35)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.1846850079999,UZVXGFFYDMWFAY,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14836,3173,-1,,,,0.0,MS1_match,RVECJMKUWCVVGH-PZHMIARSSA-N,"InChI=1S/C27H34O16/c1-13(30)37-11-19-21(35)23(38-14(2)31)24(39-15(3)32)26(40-19)43-27(12-29)25(22(36)18(10-28)42-27)41-20(34)9-6-16-4-7-17(33)8-5-16/h4-9,18-19,21-26,28-29,33,35-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,RVECJMKUWCVVGH,,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14837,3173,-1,,,,0.0,MS1_match,JKZKIQWFVBPCHT-BTUCETIBSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(24(39-15(3)31)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22+,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C27H34O16,pos_1_1sodium,614.184685008,JKZKIQWFVBPCHT,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14838,3173,-1,,,,0.0,MS1_match,RXPCAYUGVCVMEX-FWAKUVGUSA-N,"InChI=1S/C27H34O16/c1-13(29)37-11-19-24(39-15(3)31)22(35)23(36)26(40-19)43-27(12-38-14(2)30)25(21(34)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23-,24-,25+,26-,27+/m1/s1",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O,C27H34O16,pos_1_1sodium,614.184685008,RXPCAYUGVCVMEX,Terpenoids,,,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,0,8.0 14839,3171,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7145896,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus halepensis,212456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus halepensis'],5,3,9.358358383178711 14840,3171,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7145896,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pinus brutia,1061362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus brutia'],5,3,9.358358383178711 14841,3171,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7145896,ISDB,UZMAPBJVXOGOFT-UHFFFAOYSA-N,"InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O,C17H14O8,,346.068867408,UZMAPBJVXOGOFT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,9.358358383178711 14842,3170,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,REANNYKUXJMZAD-ZANRTBCKSA-N,"InChI=1S/C26H34O11/c1-34-18-8-15(7-17(30)11-18)6-16(12-28)19-9-14(4-3-5-27)10-20(35-2)25(19)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-4,7-11,16,21-24,26-33H,5-6,12-13H2,1-2H3/b4-3+/t16-,21-,22-,23+,24-,26+/m1/s1",COc1cc(O)cc(C[C@H](CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C26H34O11,pos_1_1proton1ammonium,522.210111908,REANNYKUXJMZAD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia chevalieri,3867229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia chevalieri'],7,3,8.5 14843,3170,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,REANNYKUXJMZAD-JZSZQNKASA-N,"InChI=1S/C26H34O11/c1-34-18-8-15(7-17(30)11-18)6-16(12-28)19-9-14(4-3-5-27)10-20(35-2)25(19)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-4,7-11,16,21-24,26-33H,5-6,12-13H2,1-2H3/b4-3+/t16?,21-,22-,23+,24-,26+/m1/s1",COc1cc(O)cc(CC(CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,REANNYKUXJMZAD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 14844,3170,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,REANNYKUXJMZAD-ZANRTBCKSA-N,"InChI=1S/C26H34O11/c1-34-18-8-15(7-17(30)11-18)6-16(12-28)19-9-14(4-3-5-27)10-20(35-2)25(19)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-4,7-11,16,21-24,26-33H,5-6,12-13H2,1-2H3/b4-3+/t16-,21-,22-,23+,24-,26+/m1/s1",COc1cc(O)cc(C[C@H](CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C26H34O11,pos_1_1proton1ammonium,522.210111908,REANNYKUXJMZAD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia chevalieri,3867229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia chevalieri'],7,3,8.5 14845,3170,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,REANNYKUXJMZAD-JZSZQNKASA-N,"InChI=1S/C26H34O11/c1-34-18-8-15(7-17(30)11-18)6-16(12-28)19-9-14(4-3-5-27)10-20(35-2)25(19)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-4,7-11,16,21-24,26-33H,5-6,12-13H2,1-2H3/b4-3+/t16?,21-,22-,23+,24-,26+/m1/s1",COc1cc(O)cc(CC(CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,REANNYKUXJMZAD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 14846,3169,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DMWFVSJPHMUFEL-UHFFFAOYSA-N,"InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)",CC(=O)OC1CC2C(CCC3(C)C(C(C)N(C)C)CCC23C)CC2=CC(O)C(NC(=O)c3ccccc3)C(C)(C)C21,C35H52N2O4,pos_1_1proton,564.392708144,DMWFVSJPHMUFEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14847,3169,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PZUXCVGZGCVETM-PKMGEXTCSA-N,"InChI=1S/C35H52N2O4/c1-22(37(6)7)29-25(41-23(2)39)19-33(5)27-14-13-26-31(3,21-38)28(36-30(40)24-11-9-8-10-12-24)15-16-34(26)20-35(27,34)18-17-32(29,33)4/h8-12,22,25-29,38H,13-21H2,1-7H3,(H,36,40)/t22-,25+,26-,27-,28-,29-,31+,32+,33-,34+,35-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C,C35H52N2O4,pos_1_1proton,564.392708144,PZUXCVGZGCVETM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14848,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],0,3,4.336148500442505 14849,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Limonium sinense,244739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Plumbaginaceae'],['Unknown'],['Limonium'],['Limonium sinense'],0,3,4.336148500442505 14850,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Combretum,715187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Combretum'],['Unknown'],0,3,4.336148500442505 14851,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Diospyros japonica,472521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros glaucifolia'],0,3,4.336148500442505 14852,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],0,3,4.336148500442505 14853,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Mycoacia fuscoatra,116757.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Meruliaceae'],['Unknown'],['Mycoacia'],['Mycoacia fuscoatra'],0,3,4.336148500442505 14854,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Diospyros glaucifolia,472521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros glaucifolia'],0,3,4.336148500442505 14855,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Syzygium samarangense,379996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium samarangense'],0,3,4.336148500442505 14856,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-BMPNEZRTSA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m1/s1",C[C@H]1O[C@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia confusa,560305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia confusa'],0,3,4.336148500442505 14857,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3",CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1O,C28H24O16,,616.106434688,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cacia confusa,3378739.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Cerambycidae'],['Unknown'],['Cacia'],['Cacia confusa'],0,3,4.336148500442505 14858,3168,2088,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7090371,ISDB,AHOPFKRXJRLLGF-KXYIXKPASA-N,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O,C28H24O16,,616.1064346879999,AHOPFKRXJRLLGF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pistacia weinmannifolia,1010714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pistacia'],['Pistacia weinmaniifolia'],0,3,4.336148500442505 14859,3167,554,,,,0.2971832,ISDB,,,,,,,MAEAHJWRAJIOQG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1887327432632446 14860,3166,399,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.72559524,ISDB,WLZGQXZRYWLRFN-QPPOKNOFSA-N,"InChI=1S/C33H45NO6/c1-5-34-18-31(19-37-2)14-13-26(39-4)33-22-15-21-24(38-3)17-32(36,23(30(33)34)16-25(31)33)28(22)29(21)40-27(35)12-11-20-9-7-6-8-10-20/h6-12,21-26,28-30,36H,5,13-19H2,1-4H3/b12-11+/t21-,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,33-/m1/s1",CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)/C=C/c7ccccc7)[C@@H]5[C@@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14,C33H45NO6,,551.32468816,WLZGQXZRYWLRFN,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Aconitum hemsleyanum,511674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum hemsleyanum'],4,2,7.90238094329834 14861,3165,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7566019,ISDB,HKEQVXVLTOSXLQ-UHFFFAOYSA-N,"InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O,C16H12O8,,332.053217344,HKEQVXVLTOSXLQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus pallasii,7056831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus pallasii'],5,3,9.526407718658447 14862,3163,767,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,REANNYKUXJMZAD-JZSZQNKASA-N,"InChI=1S/C26H34O11/c1-34-18-8-15(7-17(30)11-18)6-16(12-28)19-9-14(4-3-5-27)10-20(35-2)25(19)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-4,7-11,16,21-24,26-33H,5-6,12-13H2,1-2H3/b4-3+/t16?,21-,22-,23+,24-,26+/m1/s1",COc1cc(O)cc(CC(CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C26H34O11,pos_1_1sodium,522.2101119079998,REANNYKUXJMZAD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,2,8.0 14863,3163,767,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,REANNYKUXJMZAD-ZANRTBCKSA-N,"InChI=1S/C26H34O11/c1-34-18-8-15(7-17(30)11-18)6-16(12-28)19-9-14(4-3-5-27)10-20(35-2)25(19)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-4,7-11,16,21-24,26-33H,5-6,12-13H2,1-2H3/b4-3+/t16-,21-,22-,23+,24-,26+/m1/s1",COc1cc(O)cc(C[C@H](CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C26H34O11,pos_1_1sodium,522.210111908,REANNYKUXJMZAD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia chevalieri,3867229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia chevalieri'],7,2,8.0 14864,3163,767,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,REANNYKUXJMZAD-JZSZQNKASA-N,"InChI=1S/C26H34O11/c1-34-18-8-15(7-17(30)11-18)6-16(12-28)19-9-14(4-3-5-27)10-20(35-2)25(19)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-4,7-11,16,21-24,26-33H,5-6,12-13H2,1-2H3/b4-3+/t16?,21-,22-,23+,24-,26+/m1/s1",COc1cc(O)cc(CC(CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C26H34O11,pos_1_1sodium,522.2101119079998,REANNYKUXJMZAD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,2,8.0 14865,3163,767,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,REANNYKUXJMZAD-ZANRTBCKSA-N,"InChI=1S/C26H34O11/c1-34-18-8-15(7-17(30)11-18)6-16(12-28)19-9-14(4-3-5-27)10-20(35-2)25(19)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-4,7-11,16,21-24,26-33H,5-6,12-13H2,1-2H3/b4-3+/t16-,21-,22-,23+,24-,26+/m1/s1",COc1cc(O)cc(C[C@H](CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C26H34O11,pos_1_1sodium,522.210111908,REANNYKUXJMZAD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia chevalieri,3867229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia chevalieri'],7,2,8.0 14866,3162,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.55597335,ISDB,DHWYNFQVHPLJKU-PYDTXJQDSA-N,"InChI=1S/C21H26O6/c1-12-15(7-13-8-18(25-3)20(23)19(9-13)26-4)11-27-21(12)14-5-6-16(22)17(10-14)24-2/h5-6,8-10,12,15,21-23H,7,11H2,1-4H3/t12-,15+,21-/m1/s1",COc1cc([C@@H]2OC[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@H]2C)ccc1O,C21H26O6,,374.172938552,DHWYNFQVHPLJKU,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Machilus robusta,587989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus robusta'],6,2,9.223893404006958 14867,3159,1203,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.36583257,ISDB,MBPGDDYEFPQJLT-AATRIKPKSA-N,"InChI=1S/C10H12O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-7,11H,1-2H3/b6-5+",COc1ccc(/C=C/O)cc1OC,C10H12O3,,180.078644244,MBPGDDYEFPQJLT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus,836788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Unknown'],5,3,7.963330268859863 14868,3156,2028,Terpenoids,Triterpenoids,Limonoids,0.36872542,ISDB,HOJFTRARYIFTJU-KGARTDGWSA-N,"InChI=1S/C28H28O11/c1-12(29)36-18-14-7-6-9-24(4)15(14)16(20(30)37-17(24)13-8-10-35-11-13)27(34)25(5)28(19(38-28)21(31)39-25)23(2,3)22(32)26(18,27)33/h7-8,10-11,17-19,33-34H,6,9H2,1-5H3/t17-,18+,19-,24?,25+,26-,27+,28+/m0/s1",CC(=O)O[C@@H]1C2=CCCC3(C)C2=C(C(=O)O[C@H]3c2ccoc2)[C@@]2(O)[C@@]3(C)OC(=O)[C@@H]4O[C@@]43C(C)(C)C(=O)[C@@]12O,C28H28O11,,540.163161716,HOJFTRARYIFTJU,Terpenoids,Triterpenoids,Limonoids,Lansium domesticum,430664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Lansium'],['Lansium domesticum'],4,3,6.9749016761779785 14869,3155,-1,,,,0.0,MS1_match,OZUSCVSONBBWOR-UHFFFAOYSA-N,"InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3",Cc1cc(O)c2c(c1)C(=O)C=CC2=O,C11H8O3,pos_1_1proton,188.047344116,OZUSCVSONBBWOR,Polyketides,Naphthalenes,Naphthoquinones,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],8,0,8.0 14870,3155,-1,,,,0.0,MS1_match,VCMMXZQDRFWYSE-UHFFFAOYSA-N,"InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3",CC1=CC(=O)c2c(O)cccc2C1=O,C11H8O3,pos_1_1proton,188.047344116,VCMMXZQDRFWYSE,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],8,0,8.0 14871,3154,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,3,7.5 14872,3154,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14873,3154,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 14874,3153,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JMFWYRWPJVEZPV-UHFFFAOYSA-N,"InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,C23H24O13,pos_1_1sodium,508.121690828,JMFWYRWPJVEZPV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],7,3,8.5 14875,3153,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JMFWYRWPJVEZPV-UHFFFAOYSA-N,"InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,C23H24O13,pos_1_1sodium,508.121690828,JMFWYRWPJVEZPV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],7,3,8.5 14876,3151,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7978608,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,10.69144320487976 14877,3151,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7978608,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus,424333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Unknown'],6,3,10.69144320487976 14878,3151,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7978608,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,10.69144320487976 14879,3151,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7978608,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,3,10.69144320487976 14880,3147,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.5257288,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,2,11.102915287017822 14881,3147,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.5257288,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,2,11.102915287017822 14882,3147,1613,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.5257288,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,2,11.102915287017822 14883,3146,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14884,3146,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14885,3145,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6523621,ISDB,DLMNMDWSPBXDSA-GACAOOTDSA-N,"InChI=1S/C35H54N2O6/c1-20(37(5)6)28-22(39)17-33(4)26-10-9-25-31(2,19-38)27(11-12-34(25)18-35(26,34)14-13-32(28,33)3)36-30(41)21-15-23(42-7)29(40)24(16-21)43-8/h15-16,20,22,25-28,38-40H,9-14,17-19H2,1-8H3,(H,36,41)/t20-,22+,25-,26-,27-,28-,31-,32+,33-,34+,35-/m0/s1",COc1cc(C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C35H54N2O6,,598.3981874479999,DLMNMDWSPBXDSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.109448432922363 14886,3141,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.53886014,ISDB,ZMIUDPUOTLDSHP-XEZPLFJOSA-N,"InChI=1S/C18H25NO3/c1-3-12-11-19-6-4-14-9-18(22-2)17(21)10-15(14)16(19)8-13(12)5-7-20/h7,9-10,12-13,16,21H,3-6,8,11H2,1-2H3/t12-,13-,16-/m0/s1",CC[C@H]1CN2CCc3cc(OC)c(O)cc3[C@@H]2C[C@@H]1CC=O,C18H25NO3,,303.18344366,ZMIUDPUOTLDSHP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],3,1,5.65544056892395 14887,3141,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.53886014,ISDB,ZMIUDPUOTLDSHP-XEZPLFJOSA-N,"InChI=1S/C18H25NO3/c1-3-12-11-19-6-4-14-9-18(22-2)17(21)10-15(14)16(19)8-13(12)5-7-20/h7,9-10,12-13,16,21H,3-6,8,11H2,1-2H3/t12-,13-,16-/m0/s1",CC[C@H]1CN2CCc3cc(OC)c(O)cc3[C@@H]2C[C@@H]1CC=O,C18H25NO3,,303.18344366,ZMIUDPUOTLDSHP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],3,1,5.65544056892395 14888,3141,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.53886014,ISDB,ZMIUDPUOTLDSHP-XEZPLFJOSA-N,"InChI=1S/C18H25NO3/c1-3-12-11-19-6-4-14-9-18(22-2)17(21)10-15(14)16(19)8-13(12)5-7-20/h7,9-10,12-13,16,21H,3-6,8,11H2,1-2H3/t12-,13-,16-/m0/s1",CC[C@H]1CN2CCc3cc(OC)c(O)cc3[C@@H]2C[C@@H]1CC=O,C18H25NO3,,303.18344366,ZMIUDPUOTLDSHP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Alangium longiflorum,299292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium longiflorum'],3,1,5.65544056892395 14889,3139,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,0,6.0 14890,3139,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 14891,3139,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,0,6.0 14892,3139,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 14893,3139,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,0,6.0 14894,3139,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 14895,3139,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,0,6.0 14896,3139,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1sodium,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 14897,3136,-1,,,,0.0,MS1_match,CJGRGYBLAHPYOM-LNVOCJLCSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6-/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 14898,3136,-1,,,,0.0,MS1_match,CJGRGYBLAHPYOM-LNVOCJLCSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6-/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 14899,3136,-1,,,,0.0,MS1_match,FMMQFGNJOTXLGF-QMIVOQANSA-N,"InChI=1S/C15H18O7/c16-7-11-12(19)13(20)14(21)15(22-11)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11-17,19-21H,7H2/t11-,12-,13+,14-,15+/m1/s1",O=C(C=Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,FMMQFGNJOTXLGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 14900,3136,-1,,,,0.0,MS1_match,FMMQFGNJOTXLGF-QMIVOQANSA-N,"InChI=1S/C15H18O7/c16-7-11-12(19)13(20)14(21)15(22-11)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11-17,19-21H,7H2/t11-,12-,13+,14-,15+/m1/s1",O=C(C=Cc1ccc(O)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,pos_1_1sodium,310.105252916,FMMQFGNJOTXLGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 14901,3136,-1,,,,0.0,MS1_match,CFFMLEQRNNOHLH-HOLMNUNMSA-N,"InChI=1S/C15H18O7/c16-11(7-6-9-4-2-1-3-5-9)21-8-10-12(17)13(18)14(19)15(20)22-10/h1-7,10,12-15,17-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccccc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O7,pos_1_1sodium,310.105252916,CFFMLEQRNNOHLH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea canescens,832446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea canescens'],6,0,6.0 14902,3135,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.26031202,ISDB,IWGKJEFGMDTVIL-DUXPYHPUSA-N,"InChI=1S/C19H20O4/c20-16(11-7-15-8-12-18(22)19(23)13-15)4-2-1-3-14-5-9-17(21)10-6-14/h2,4-6,8-10,12-13,21-23H,1,3,7,11H2/b4-2+",O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)c(O)c1,C19H20O4,,312.13615912,IWGKJEFGMDTVIL,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,9.541248083114624 14903,3134,-1,,,,0.5602987,ISDB,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.241194725036621 14904,3130,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7595719,ISDB,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.53828763961792 14905,3129,-1,,,,0.0,MS1_match,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,pos_2MNa,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,9.0 14906,3129,-1,,,,0.0,MS1_match,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,pos_2MNa,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,9.0 14907,3128,-1,,,,0.52712625,ISDB,UFOMWAWIEKKLJS-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3",CNC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,,414.361014092,UFOMWAWIEKKLJS,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.108505010604858 14908,3127,682,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LQRKRHDZKOLWKN-ZDPLCZSVSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h9-10,17-22,28,30H,11-16H2,1-8H3/t17-,18-,19+,20+,21+,22+,24-,25+,26-,27+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C27H46N2O,pos_2_2proton,414.361014092,LQRKRHDZKOLWKN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14909,3127,682,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IBBJBVLTEQHUQV-ZUDQDPCPSA-N,"InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@H]5C,C27H46N2O,pos_2_2proton,414.361014092,IBBJBVLTEQHUQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14910,3127,682,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GTXYASOPMHQGPE-KBVVDYDXSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2O,pos_2_2proton,414.361014092,GTXYASOPMHQGPE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14911,3127,682,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SZDAYVWJPZICBE-KNWQDMBOSA-N,"InChI=1S/C27H46N2O/c1-17-19-9-10-22-25(4)15-21(30)23(18(2)28(5)6)24(25,3)13-14-27(22)16-26(19,27)12-11-20(17)29(7)8/h9-10,17-23,30H,11-16H2,1-8H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26+,27-/m0/s1",C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13,C27H46N2O,pos_2_2proton,414.361014092,SZDAYVWJPZICBE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14912,3127,682,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UFOMWAWIEKKLJS-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3",CNC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_2_2proton,414.361014092,UFOMWAWIEKKLJS,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14913,3127,682,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JTOMBDWNZMKDRU-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h9,13,17,20-24,28,30H,10-12,14-16H2,1-8H3",CNC1CC=C2CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_2_2proton,414.361014092,JTOMBDWNZMKDRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14914,3125,2198,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51552165,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,9.562086582183838 14915,3124,1997,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,pos_2_2proton,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14916,3123,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 14917,3123,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 14918,3121,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 14919,3121,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 14920,3121,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 14921,3121,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 14922,3121,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,3,9.5 14923,3121,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,3,9.5 14924,3120,851,Alkaloids,Flavonoids,Simple indole alkaloids,0.63171273,ISDB,ZVOLCUVKHLEPEV-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,C15H10O8,,318.03756728,ZVOLCUVKHLEPEV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cupressus sempervirens,949938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cupressus'],['Cupressus sempervirens'],5,2,8.526850938796997 14925,3116,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OEKUVLQNKPXSOY-ZWDDJUBUSA-N,"InChI=1S/C21H20O11/c1-7(22)18-16(28)17(29)21(31-18)32-20-15(27)14-12(26)5-9(23)6-13(14)30-19(20)8-2-3-10(24)11(25)4-8/h2-7,16-18,21-26,28-29H,1H3/t7-,16+,17-,18-,21+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OEKUVLQNKPXSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14926,3116,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OEKUVLQNKPXSOY-ZWDDJUBUSA-N,"InChI=1S/C21H20O11/c1-7(22)18-16(28)17(29)21(31-18)32-20-15(27)14-12(26)5-9(23)6-13(14)30-19(20)8-2-3-10(24)11(25)4-8/h2-7,16-18,21-26,28-29H,1H3/t7-,16+,17-,18-,21+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OEKUVLQNKPXSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14927,3116,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14928,3116,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14929,3116,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14930,3114,238,Shikimates and Phenylpropanoids,Coumarins,Naphthalenes and derivatives,0.82481444,ISDB,KAFSSZHADPCOBG-UHFFFAOYSA-N,"InChI=1S/C12H12O2/c1-7-4-5-10-8(2)9(3)12(13)14-11(10)6-7/h4-6H,1-3H3",Cc1ccc2c(C)c(C)c(=O)oc2c1,C12H12O2,,188.083729624,KAFSSZHADPCOBG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],3,2,7.299257755279541 14931,3113,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OEKUVLQNKPXSOY-ZWDDJUBUSA-N,"InChI=1S/C21H20O11/c1-7(22)18-16(28)17(29)21(31-18)32-20-15(27)14-12(26)5-9(23)6-13(14)30-19(20)8-2-3-10(24)11(25)4-8/h2-7,16-18,21-26,28-29H,1H3/t7-,16+,17-,18-,21+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OEKUVLQNKPXSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14932,3113,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OEKUVLQNKPXSOY-ZWDDJUBUSA-N,"InChI=1S/C21H20O11/c1-7(22)18-16(28)17(29)21(31-18)32-20-15(27)14-12(26)5-9(23)6-13(14)30-19(20)8-2-3-10(24)11(25)4-8/h2-7,16-18,21-26,28-29H,1H3/t7-,16+,17-,18-,21+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C21H20O11,pos_1_1sodium,448.1005614599998,OEKUVLQNKPXSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14933,3113,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14934,3113,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14935,3113,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,3,7.5 14936,3111,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,pos_2_2proton,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14937,3110,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_2MH,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,2,7.0 14938,3110,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_2MH,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,2,7.0 14939,3110,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_2MH,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,2,7.0 14940,3110,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_2MH,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,2,7.0 14941,3110,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_2MH,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],6,2,7.0 14942,3110,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,GSBNFGRTUCCBTK-DAFODLJHSA-N,"InChI=1S/C15H12O6/c16-10(9-3-6-12(18)15(21)14(9)20)4-1-8-2-5-11(17)13(19)7-8/h1-7,17-21H/b4-1+",O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)c(O)c1O,C15H12O6,pos_2MH,288.063388104,GSBNFGRTUCCBTK,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Abies pindrow,200117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pindrow'],6,2,7.0 14943,3110,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NFENYLPEYDNIMO-HNNXBMFYSA-N,"InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)15(20)7-12(19)14-11(18)5-10(17)6-13(14)21-15/h1-6,16-18,20H,7H2/t15-/m0/s1",O=C1C[C@@](O)(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O6,pos_2MH,288.063388104,NFENYLPEYDNIMO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,2,7.0 14944,3109,513,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,pos_1_1proton,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 14945,3107,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 14946,3107,-1,,,,0.0,MS1_match,TXSJJCSJHIDTDE-GDVJPAFLSA-N,"InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,TXSJJCSJHIDTDE,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 14947,3106,1732,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,pos_2MHNH3,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,3,10.5 14948,3106,1732,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,pos_2MHNH3,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,3,10.5 14949,3105,2363,,,,0.7865744,ISDB,,,,,,,ZLYIWYCHNAZAQI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1462976932525635 14950,3104,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.5727074,ISDB,MXINPMPTHWBNPF-AMQQOLNISA-N,"InChI=1S/C30H39NO6/c1-15-10-19-22(20(32)11-15)17(3)23(34)24-26(4)13-21(33)37-30(25(35)28(19,24)6)27(26,5)7-8-29-12-16(2)9-18(36-29)14-31(29)30/h11,16-19,22,24H,7-10,12-14H2,1-6H3/t16-,17+,18+,19+,22?,24+,26-,27-,28?,29-,30?/m0/s1",CC1=CC(=O)C2[C@@H](C1)C1(C)C(=O)C34OC(=O)C[C@@](C)([C@H]1C(=O)[C@@H]2C)[C@]3(C)CC[C@]12C[C@@H](C)C[C@H](CN41)O2,C30H39NO6,,509.277737968,MXINPMPTHWBNPF,Alkaloids,Pseudoalkaloids,,Zoanthus,480145.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Zoantharia'],['Zoanthidae'],['Unknown'],['Zoanthus'],['Unknown'],1,2,4.290829658508301 14951,3103,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.3040557,ISDB,,,,,,,REJANJUFGSPZDW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2162227630615234 14952,3100,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.4164122,ISDB,AACLWACKHXOGDA-URPMGSGRSA-N,"InChI=1S/C12H16O3/c1-7-5-11-10(4-3-9(7)6-13)8(2)12(14)15-11/h3,6-8,10-11H,4-5H2,1-2H3/t7-,8+,10+,11-/m0/s1",C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2CC=C1C=O,C12H16O3,,208.109944372,AACLWACKHXOGDA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Xanthium sibiricum,909849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Xanthium'],['Xanthium sibiricum'],3,2,5.665648818016052 14953,3099,-1,,,,0.85560215,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,12.42240858078003 14954,3096,-1,,,,0.0,MS1_match,OEKUVLQNKPXSOY-ZWDDJUBUSA-N,"InChI=1S/C21H20O11/c1-7(22)18-16(28)17(29)21(31-18)32-20-15(27)14-12(26)5-9(23)6-13(14)30-19(20)8-2-3-10(24)11(25)4-8/h2-7,16-18,21-26,28-29H,1H3/t7-,16+,17-,18-,21+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C21H20O11,pos_2MNa,448.1005614599998,OEKUVLQNKPXSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 14955,3096,-1,,,,0.0,MS1_match,OEKUVLQNKPXSOY-ZWDDJUBUSA-N,"InChI=1S/C21H20O11/c1-7(22)18-16(28)17(29)21(31-18)32-20-15(27)14-12(26)5-9(23)6-13(14)30-19(20)8-2-3-10(24)11(25)4-8/h2-7,16-18,21-26,28-29H,1H3/t7-,16+,17-,18-,21+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C21H20O11,pos_2MNa,448.1005614599998,OEKUVLQNKPXSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 14956,3096,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_2MNa,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 14957,3096,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_2MNa,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 14958,3096,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_2MNa,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 14959,3095,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 14960,3095,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 14961,3093,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 14962,3093,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1sodium,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 14963,3093,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1sodium,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 14964,3093,-1,,,,0.0,MS1_match,TXLQONQJSWSJJX-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1sodium,432.1056468399998,TXLQONQJSWSJJX,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 14965,3093,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1sodium,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 14966,3092,-1,,,,0.0,MS1_match,TZBJGXHYKVUXJN-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H",O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,TZBJGXHYKVUXJN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 14967,3092,-1,,,,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 14968,3091,242,Terpenoids,Apocarotenoids,Megastigmanes,0.3548227,ISDB,PIASIRKJNMFDTE-DQENFCOISA-N,"InChI=1S/C24H40O11/c1-11-7-13(25)8-24(3,4)14(11)6-5-12(2)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h5-6,11-12,14-23,26-31H,7-10H2,1-4H3/b6-5+/t11-,12-,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1",C[C@H](/C=C/[C@H]1[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,,504.2570621,PIASIRKJNMFDTE,Terpenoids,Apocarotenoids,Megastigmanes,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],4,3,6.919290781021118 14969,3089,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 14970,3088,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 14971,3086,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FBMFMDSVTBIJPB-CKTRUMDJSA-N,"InChI=1S/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38)/t20-,23+,24-,25+,26-,27-,28-,30+,31+,32-,33+/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]12C)N(C)C,C33H46N2O4,pos_1_1proton1methanol,534.345757952,FBMFMDSVTBIJPB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,8.5 14972,3085,513,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.34702796,ISDB,,,,,,,QALLXIUHRUVULB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3881118297576904 14973,3084,1439,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,TXLQONQJSWSJJX-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,TXLQONQJSWSJJX,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 14974,3084,1439,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 14975,3084,1439,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 14976,3077,1741,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3328781,ISDB,VWXOCQKDEKTFRM-IBGZPJMESA-N,"InChI=1S/C20H20O6/c1-26-20-10-13(3-9-18(20)24)2-6-16(22)11-17(23)12-19(25)14-4-7-15(21)8-5-14/h2-11,19,21-22,24-25H,12H2,1H3/t19-/m0/s1",COc1cc(C=CC(O)=CC(=O)C[C@H](O)c2ccc(O)cc2)ccc1O,C20H20O6,,356.12598836,VWXOCQKDEKTFRM,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,3,6.831512451171875 14977,3076,-1,,,,0.31274992,ISDB,HESWCJDXWDNXCR-DUMNWFOQSA-N,"InChI=1S/C11H19N3/c1-9(2)5-4-6-11(3)7-8-13-10(12)14-11/h4-6H,7-8H2,1-3H3,(H3,12,13,14)/b6-4+/t11-/m1/s1",CC(C)=C/C=C/[C@]1(C)CCNC(=N)N1,C11H19N3,,193.157897608,HESWCJDXWDNXCR,Alkaloids,Lysine alkaloids,,Pterogyne nitens,946962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Pterogyne'],['Pterogyne nitens'],4,0,5.250999689102173 14978,3074,-1,,,,0.0,MS1_match,RAXRINJGLHOGPS-BXKSLHLRSA-N,"InChI=1S/C22H34O2/c1-7-16(2)9-11-19-17(3)10-12-20-21(5,15-24-18(4)23)13-8-14-22(19,20)6/h7,9,19-20H,1,3,8,10-15H2,2,4-6H3/b16-9-/t19-,20-,21+,22+/m0/s1",C=C/C(C)=C\C[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C,C22H34O2,pos_1_minus1proton1iron,330.255880328,RAXRINJGLHOGPS,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 14979,3074,-1,,,,0.0,MS1_match,FURHYCBPWRCHKE-RRASFTJPSA-N,"InChI=1S/C22H34O2/c1-8-15(2)9-11-19-16(3)10-12-20-21(5,6)13-18(24-17(4)23)14-22(19,20)7/h8-9,18-20H,1,3,10-14H2,2,4-7H3/b15-9+/t18-,19+,20+,22-/m1/s1",C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@]12C,C22H34O2,pos_1_minus1proton1iron,330.255880328,FURHYCBPWRCHKE,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 14980,3072,-1,,,,0.0,MS1_match,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,pos_2_2proton,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 14981,3072,-1,,,,0.0,MS1_match,MOYAFQVGZZPNRA-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",CC1=CCC(=C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,MOYAFQVGZZPNRA,Terpenoids,Monoterpenoids,,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 14982,3072,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14983,3072,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-RKDXNWHRSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1",CC1=CC[C@@H]2C[C@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,0,6.0 14984,3072,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 14985,3072,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",CC1=CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14986,3072,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 14987,3072,-1,,,,0.0,MS1_match,GRWFGVWFFZKLTI-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,GRWFGVWFFZKLTI,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 14988,3072,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2C(C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 14989,3072,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2C(C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14990,3072,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2C(C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 14991,3072,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1",CC1=CC[C@@H]2[C@H](C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14992,3072,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2C(C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea schrenkiana,463853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea schrenkiana'],6,0,6.0 14993,3072,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2C(C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 14994,3072,-1,,,,0.0,MS1_match,BQOFWKZOCNGFEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",CC1=CCC2C(C1)C2(C)C,C10H16,pos_1_1proton,136.125200512,BQOFWKZOCNGFEC,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 14995,3072,-1,,,,0.0,MS1_match,XCPQUQHBVVXMRQ-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1",C=C1C[C@H]2CC[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,XCPQUQHBVVXMRQ,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14996,3072,-1,,,,0.0,MS1_match,MOYAFQVGZZPNRA-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",CC1=CCC(=C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,MOYAFQVGZZPNRA,Terpenoids,Monoterpenoids,,Picea schrenkiana,463853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea schrenkiana'],6,0,6.0 14997,3072,-1,,,,0.0,MS1_match,MOYAFQVGZZPNRA-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",CC1=CCC(=C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,MOYAFQVGZZPNRA,Terpenoids,Monoterpenoids,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 14998,3072,-1,,,,0.0,MS1_match,MOYAFQVGZZPNRA-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",CC1=CCC(=C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,MOYAFQVGZZPNRA,Terpenoids,Monoterpenoids,,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 14999,3072,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C=C1CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 15000,3072,-1,,,,0.0,MS1_match,NJZUUYADLXBQPA-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1",C=C1C[C@H]2C[C@@H]1CC2(C)C,C10H16,pos_1_1proton,136.125200512,NJZUUYADLXBQPA,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15001,3072,-1,,,,0.0,MS1_match,GJYKUZUTZNTBEC-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3",CC1C=CC2(C(C)C)CC12,C10H16,pos_1_1proton,136.125200512,GJYKUZUTZNTBEC,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15002,3072,-1,,,,0.0,MS1_match,LFJQCDVYDGGFCH-SNVBAGLBSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m1/s1",C=C1C=C[C@@H](C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,LFJQCDVYDGGFCH,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,0,6.0 15003,3072,-1,,,,0.0,MS1_match,LFJQCDVYDGGFCH-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3",C=C1C=CC(C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,LFJQCDVYDGGFCH,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15004,3072,-1,,,,0.0,MS1_match,LFJQCDVYDGGFCH-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3",C=C1C=CC(C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,LFJQCDVYDGGFCH,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15005,3072,-1,,,,0.0,MS1_match,LFJQCDVYDGGFCH-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1",C=C1C=C[C@H](C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,LFJQCDVYDGGFCH,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15006,3072,-1,,,,0.0,MS1_match,LFJQCDVYDGGFCH-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3",C=C1C=CC(C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,LFJQCDVYDGGFCH,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 15007,3072,-1,,,,0.0,MS1_match,XCPQUQHBVVXMRQ-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C=C1CC2CCC1C2(C)C,C10H16,pos_1_1proton,136.125200512,XCPQUQHBVVXMRQ,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15008,3072,-1,,,,0.0,MS1_match,LFJQCDVYDGGFCH-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3",C=C1C=CC(C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,LFJQCDVYDGGFCH,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 15009,3072,-1,,,,0.0,MS1_match,OGLDWXZKYODSOB-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",CC1=CC[C@@H](C(C)C)C=C1,C10H16,pos_1_1proton,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,0,6.0 15010,3072,-1,,,,0.0,MS1_match,OGLDWXZKYODSOB-JTQLQIEISA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1",CC1=CC[C@@H](C(C)C)C=C1,C10H16,pos_1_1proton,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15011,3072,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C=C1CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15012,3072,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,0,6.0 15013,3072,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C=C1CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15014,3072,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-IUCAKERBSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",C=C1CC[C@H]2C[C@@H]1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15015,3072,-1,,,,0.0,MS1_match,WTARULDDTDQWMU-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C=C1CCC2CC1C2(C)C,C10H16,pos_1_1proton,136.125200512,WTARULDDTDQWMU,Terpenoids,Monoterpenoids,Pinane monoterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 15016,3072,-1,,,,0.0,MS1_match,OGLDWXZKYODSOB-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",CC1=CCC(C(C)C)C=C1,C10H16,pos_1_1proton,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15017,3072,-1,,,,0.0,MS1_match,IBVJWOMJGCHRRW-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1",CC1=C[C@H]2[C@@H](CC1)C2(C)C,C10H16,pos_1_1proton,136.125200512,IBVJWOMJGCHRRW,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15018,3072,-1,,,,0.0,MS1_match,YHQGMYUVUMAZJR-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3",CC1=CC=C(C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,YHQGMYUVUMAZJR,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15019,3072,-1,,,,0.0,MS1_match,RRBYUSWBLVXTQN-UICFKRDXSA-N,"InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-,10+",CC1(C)[C@H]2C[C@@H]3[C@H](C2)[C@@]31C,C10H16,pos_1_1proton,136.125200512,RRBYUSWBLVXTQN,Terpenoids,Monoterpenoids,,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,0,6.0 15020,3072,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 15021,3072,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 15022,3072,-1,,,,0.0,MS1_match,NDVASEGYNIMXJL-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3",C=C1CCC2(C(C)C)CC12,C10H16,pos_1_1proton,136.125200512,NDVASEGYNIMXJL,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15023,3072,-1,,,,0.0,MS1_match,NDVASEGYNIMXJL-NXEZZACHSA-N,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1",C=C1CC[C@]2(C(C)C)C[C@H]12,C10H16,pos_1_1proton,136.125200512,NDVASEGYNIMXJL,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15024,3072,-1,,,,0.0,MS1_match,NDVASEGYNIMXJL-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3",C=C1CCC2(C(C)C)CC12,C10H16,pos_1_1proton,136.125200512,NDVASEGYNIMXJL,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Picea schrenkiana,463853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea schrenkiana'],6,0,6.0 15025,3072,-1,,,,0.0,MS1_match,YKFLAYDHMOASIY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",CC1=CCC(C(C)C)=CC1,C10H16,pos_1_1proton,136.125200512,YKFLAYDHMOASIY,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15026,3072,-1,,,,0.0,MS1_match,YKFLAYDHMOASIY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",CC1=CCC(C(C)C)=CC1,C10H16,pos_1_1proton,136.125200512,YKFLAYDHMOASIY,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15027,3072,-1,,,,0.0,MS1_match,YKFLAYDHMOASIY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",CC1=CCC(C(C)C)=CC1,C10H16,pos_1_1proton,136.125200512,YKFLAYDHMOASIY,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15028,3072,-1,,,,0.0,MS1_match,YKFLAYDHMOASIY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",CC1=CCC(C(C)C)=CC1,C10H16,pos_1_1proton,136.125200512,YKFLAYDHMOASIY,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 15029,3072,-1,,,,0.0,MS1_match,VWSPQDDPRITBAM-UYSOGGTPSA-N,"InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1",C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC1,C20H32,pos_2_2proton,272.250401024,VWSPQDDPRITBAM,Terpenoids,Diterpenoids,Cembrane diterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 15030,3072,-1,,,,0.0,MS1_match,DMHADBQKVWXPPM-QXIQWJTQSA-N,"InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+/t20-/m0/s1",CC1=C/C/C=C(\C)CC/C=C(\C)CC[C@@H](C(C)C)\C=C\1,C20H32,pos_2_2proton,272.250401024,DMHADBQKVWXPPM,Terpenoids,Diterpenoids,Cembrane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15031,3072,-1,,,,0.0,MS1_match,DMHADBQKVWXPPM-QXIQWJTQSA-N,"InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+/t20-/m0/s1",CC1=C/C/C=C(\C)CC/C=C(\C)CC[C@@H](C(C)C)\C=C\1,C20H32,pos_2_2proton,272.250401024,DMHADBQKVWXPPM,Terpenoids,Diterpenoids,Cembrane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15032,3072,-1,,,,0.0,MS1_match,XDSYKASBVOZOAG-RAUXBKROSA-N,"InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m0/s1",C=C[C@@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,pos_2_2proton,272.250401024,XDSYKASBVOZOAG,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 15033,3072,-1,,,,0.0,MS1_match,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,pos_2_2proton,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15034,3072,-1,,,,0.0,MS1_match,BBPXZLJCPUPNGH-NLWGTHIKSA-N,"InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C20H32,pos_2_2proton,272.250401024,BBPXZLJCPUPNGH,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15035,3072,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15036,3072,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15037,3072,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15038,3072,-1,,,,0.0,MS1_match,UAHWPYUMFXYFJY-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C=CC(=C)CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,UAHWPYUMFXYFJY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,0,6.0 15039,3072,-1,,,,0.0,MS1_match,RRBYUSWBLVXTQN-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3",CC1(C)C2CC3C(C2)C31C,C10H16,pos_1_1proton,136.125200512,RRBYUSWBLVXTQN,Terpenoids,Monoterpenoids,,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15040,3072,-1,,,,0.0,MS1_match,RRBYUSWBLVXTQN-UICFKRDXSA-N,"InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-,10+",CC1(C)[C@H]2C[C@@H]3[C@H](C2)[C@@]31C,C10H16,pos_1_1proton,136.125200512,RRBYUSWBLVXTQN,Terpenoids,Monoterpenoids,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15041,3072,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C=C1C2CCC(C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 15042,3072,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1",C=C1[C@@H]2CC[C@@H](C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,0,6.0 15043,3072,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C=C1C2CCC(C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15044,3072,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-BDAKNGLRSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1",C=C1[C@@H]2CC[C@@H](C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15045,3072,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C=C1C2CCC(C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 15046,3072,-1,,,,0.0,MS1_match,YHQGMYUVUMAZJR-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3",CC1=CC=C(C(C)C)CC1,C10H16,pos_1_1proton,136.125200512,YHQGMYUVUMAZJR,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15047,3072,-1,,,,0.0,MS1_match,CRPUJAZIXJMDBK-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C=C1C2CCC(C2)C1(C)C,C10H16,pos_1_1proton,136.125200512,CRPUJAZIXJMDBK,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 15048,3072,-1,,,,0.0,MS1_match,IHPKGUQCSIINRJ-CSKARUKUSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+",C=C/C(C)=C/CC=C(C)C,C10H16,pos_1_1proton,136.125200512,IHPKGUQCSIINRJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15049,3072,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C=C(C)C1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 15050,3072,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C=C(C)C1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15051,3072,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C=C(C)C1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15052,3072,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-SNVBAGLBSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1",C=C(C)[C@@H]1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15053,3072,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C=C(C)C1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea orientalis,628854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea orientalis'],6,0,6.0 15054,3072,-1,,,,0.0,MS1_match,XMGQYMWWDOXHJM-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C=C(C)C1CC=C(C)CC1,C10H16,pos_1_1proton,136.125200512,XMGQYMWWDOXHJM,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 15055,3072,-1,,,,0.0,MS1_match,IHPKGUQCSIINRJ-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3",C=CC(C)=CCC=C(C)C,C10H16,pos_1_1proton,136.125200512,IHPKGUQCSIINRJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15056,3072,-1,,,,0.0,MS1_match,WMLCBYLGIDOUMQ-PYHGXSLLSA-N,"InChI=1S/C10H16/c1-9(2)6-4-5-7-8(6)10(7,9)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-,10+/m0/s1",CC1(C)[C@H]2CC[C@@H]3[C@H]2[C@@]31C,C10H16,pos_1_1proton,136.125200512,WMLCBYLGIDOUMQ,Terpenoids,Monoterpenoids,Carane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15057,3070,1643,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.8055248,ISDB,CJLFWRBPNXIPHA-UHFFFAOYSA-N,"InChI=1S/C14H10O4/c15-7-10-5-13-14(18-8-17-13)6-12(10)9-1-3-11(16)4-2-9/h1-7,16H,8H2",O=Cc1cc2c(cc1-c1ccc(O)cc1)OCO2,C14H10O4,,242.0579088,CJLFWRBPNXIPHA,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Crinum bulbispermum,639815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum bulbispermum'],3,3,7.722099304199219 15058,3068,882,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.73398775,ISDB,XWPFSIAQJJWHLN-IERDGZPVSA-N,"InChI=1S/C23H24O6/c1-12(2)5-6-13-7-15-21-16(10-26-22(15)23(25-4)20(13)24-3)14-8-18-19(28-11-27-18)9-17(14)29-21/h5,7-9,16,21H,6,10-11H2,1-4H3/t16-,21+/m1/s1",COc1c(CC=C(C)C)cc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4,C23H24O6,,396.157288488,XWPFSIAQJJWHLN,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia mitis,324035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia mitis'],3,3,7.435950994491577 15059,3068,882,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.73398775,ISDB,XWPFSIAQJJWHLN-IERDGZPVSA-N,"InChI=1S/C23H24O6/c1-12(2)5-6-13-7-15-21-16(10-26-22(15)23(25-4)20(13)24-3)14-8-18-19(28-11-27-18)9-17(14)29-21/h5,7-9,16,21H,6,10-11H2,1-4H3/t16-,21+/m1/s1",COc1c(CC=C(C)C)cc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4,C23H24O6,,396.157288488,XWPFSIAQJJWHLN,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia amboensis,3922100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia amboensis'],3,3,7.435950994491577 15060,3067,-1,,,,0.23701712,ISDB,SZOPSAFLRCYJCX-GNFAMUSMSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15+,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991533,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.9480684995651245 15061,3067,-1,,,,0.23701712,ISDB,SZOPSAFLRCYJCX-RBOSQNBPSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O7,,370.1991532999999,SZOPSAFLRCYJCX,Terpenoids,Apocarotenoids,Megastigmanes,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.9480684995651245 15062,3062,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 15063,3062,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 15064,3061,-1,,,,0.0,MS1_match,PPBRXRYQALVLMV-UHFFFAOYSA-N,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",C=Cc1ccccc1,C8H8,pos_1_1proton1isopropanol,104.062600256,PPBRXRYQALVLMV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 15065,3060,2466,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.0,MS1_match,XLPDVYGDNRIQFV-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",Cc1ccc(C(C)(C)O)cc1,C10H14O,pos_1_1proton,150.104465068,XLPDVYGDNRIQFV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 15066,3059,-1,,,,0.0,MS1_match,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,pos_1_1proton1ammonium,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,7.0 15067,3059,-1,,,,0.0,MS1_match,SMKZFVZXPZJPFK-RYNJIZPOSA-N,"InChI=1S/C25H41NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-18,20,26-27H,7-14H2,1-6H3/t15-,16-,17+,18+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C,C25H41NO2,pos_1_1proton1ammonium,387.313729552,SMKZFVZXPZJPFK,Terpenoids,Steroids,Pregnane steroids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 15068,3056,1954,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.6691259,ISDB,KFZDTDKRRFEMEK-LLVKDONJSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,5-8H2,1-4H3/t11-/m1/s1",CC(=O)CCC1=C(C)C[C@@H](O)CC1(C)C,C13H22O2,,210.161979944,KFZDTDKRRFEMEK,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Tectona grandis,738848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Tectona'],['Tectona grandis'],4,3,8.176503658294678 15069,3055,242,Terpenoids,Apocarotenoids,Megastigmanes,0.45075288,ISDB,UUZCXSITKYJQNT-DHVAKAPCSA-N,"InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11-18,20-24H,8-9H2,1-4H3/b6-5+/t11?,12?,13?,14-,15-,16+,17-,18-/m1/s1",CC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)C1/C=C/C(C)O,C19H32O7,,372.214803364,UUZCXSITKYJQNT,Terpenoids,Apocarotenoids,Megastigmanes,Picris hieracioides,977940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Picris'],['Picris hieracioides'],4,3,7.303011536598206 15070,3054,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.755754,ISDB,WKNLFMXMEHMEGH-ZWKOPEQDSA-N,"InChI=1S/C13H20O/c1-9-5-4-6-12-7-11(10(2)14)8-13(9,12)3/h8-9,12H,4-7H2,1-3H3/t9-,12+,13+/m0/s1",CC(=O)C1=C[C@@]2(C)[C@H](CCC[C@@H]2C)C1,C13H20O,,192.15141526,WKNLFMXMEHMEGH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia lamarum,288386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia lamarum'],4,2,8.023015975952148 15071,3054,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.755754,ISDB,WKNLFMXMEHMEGH-ZWKOPEQDSA-N,"InChI=1S/C13H20O/c1-9-5-4-6-12-7-11(10(2)14)8-13(9,12)3/h8-9,12H,4-7H2,1-3H3/t9-,12+,13+/m0/s1",CC(=O)C1=C[C@@]2(C)[C@H](CCC[C@@H]2C)C1,C13H20O,,192.15141526,WKNLFMXMEHMEGH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],4,2,8.023015975952148 15072,3054,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.755754,ISDB,WKNLFMXMEHMEGH-ZWKOPEQDSA-N,"InChI=1S/C13H20O/c1-9-5-4-6-12-7-11(10(2)14)8-13(9,12)3/h8-9,12H,4-7H2,1-3H3/t9-,12+,13+/m0/s1",CC(=O)C1=C[C@@]2(C)[C@H](CCC[C@@H]2C)C1,C13H20O,,192.15141526,WKNLFMXMEHMEGH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia vellerea,119949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia vellerea'],4,2,8.023015975952148 15073,3052,1592,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5832758,ISDB,ZUILVKYUNYJWMV-JTRBZCFYSA-N,"InChI=1S/C28H48N2/c1-19(29(6)7)22-15-17-28(5)24-12-11-23-20(18-21(24)14-16-27(22,28)4)10-13-25(30(8)9)26(23,2)3/h14,18-19,22-25H,10-13,15-17H2,1-9H3/t19-,22+,23+,24+,25-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C,C28H48N2,,412.381749536,ZUILVKYUNYJWMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.83310317993164 15074,3051,682,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZUILVKYUNYJWMV-JTRBZCFYSA-N,"InChI=1S/C28H48N2/c1-19(29(6)7)22-15-17-28(5)24-12-11-23-20(18-21(24)14-16-27(22,28)4)10-13-25(30(8)9)26(23,2)3/h14,18-19,22-25H,10-13,15-17H2,1-9H3/t19-,22+,23+,24+,25-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C,C28H48N2,pos_2_2proton,412.381749536,ZUILVKYUNYJWMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15075,3047,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.82133305,ISDB,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.785332202911377 15076,3046,-1,,,,0.0,MS1_match,UTPBCUCEDIRSFI-MJDPKNRPSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18+,23-,26+,27+/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,0,6.0 15077,3046,-1,,,,0.0,MS1_match,UTPBCUCEDIRSFI-UHFFFAOYSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3",COc1cc(CC(CO)C(COC2OCC(O)C(O)C2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Cinnamomum osmophloeum,582938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum osmophloeum'],6,0,6.0 15078,3046,-1,,,,0.0,MS1_match,UTPBCUCEDIRSFI-KHLXKNNCSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1sodium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 15079,3045,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7961948,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,13.684779167175293 15080,3044,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15081,3044,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15082,3044,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15083,3044,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15084,3042,475,Polyketides,Naphthalenes,Naphthoquinones,0.82776666,ISDB,YJYNIQQTZMGISK-UHFFFAOYSA-N,"InChI=1S/C22H16O6/c1-9-7-15(25)19-13(23)5-3-11(17(19)21(9)27)12-4-6-14(24)20-16(26)8-10(2)22(28)18(12)20/h3-7,10,23-24H,8H2,1-2H3",CC1=CC(=O)c2c(O)ccc(-c3ccc(O)c4c3C(=O)C(C)CC4=O)c2C1=O,C22H16O6,,376.094688232,YJYNIQQTZMGISK,Polyketides,Naphthalenes,Naphthoquinones,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],7,3,11.811066627502441 15085,3041,1858,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.4551851,ISDB,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,12.320740342140198 15086,3038,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 15087,3038,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 15088,3033,-1,,,,0.0,MS1_match,KDXKERNSBIXSRK-YFKPBYRVSA-N,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",NCCCC[C@H](N)C(=O)O,C6H14N2O2,pos_2MK,146.105527688,KDXKERNSBIXSRK,Amino acids and Peptides,Small peptides,Aminoacids,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,0,6.0 15089,3033,-1,,,,0.0,MS1_match,KDXKERNSBIXSRK-YFKPBYRVSA-N,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",NCCCC[C@H](N)C(=O)O,C6H14N2O2,pos_2MK,146.105527688,KDXKERNSBIXSRK,Amino acids and Peptides,Small peptides,Aminoacids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 15090,3033,-1,,,,0.0,MS1_match,KDXKERNSBIXSRK-YFKPBYRVSA-N,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",NCCCC[C@H](N)C(=O)O,C6H14N2O2,pos_2MK,146.105527688,KDXKERNSBIXSRK,Amino acids and Peptides,Small peptides,Aminoacids,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 15091,3031,-1,,,,0.61233234,ISDB,MMPSCNRRQGVBGG-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-14(22)19(24-3)18-16(12)13(21)9-11-5-6-15(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,,341.162708216,MMPSCNRRQGVBGG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,8.449329376220703 15092,3029,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.0,MS1_match,UTPBCUCEDIRSFI-MJDPKNRPSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18+,23-,26+,27+/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1proton1ammonium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,2,7.0 15093,3029,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.0,MS1_match,UTPBCUCEDIRSFI-UHFFFAOYSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3",COc1cc(CC(CO)C(COC2OCC(O)C(O)C2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1proton1ammonium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Cinnamomum osmophloeum,582938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum osmophloeum'],6,2,7.0 15094,3029,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.0,MS1_match,UTPBCUCEDIRSFI-KHLXKNNCSA-N,"InChI=1S/C27H38O12/c1-34-19-7-14(8-20(35-2)24(19)31)5-16(11-28)17(12-38-27-26(33)23(30)18(29)13-39-27)6-15-9-21(36-3)25(32)22(10-15)37-4/h7-10,16-18,23,26-33H,5-6,11-13H2,1-4H3/t16-,17-,18-,23+,26-,27-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C27H38O12,pos_1_1proton1ammonium,554.236326656,UTPBCUCEDIRSFI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,2,7.0 15095,3028,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46691138,ISDB,CAUANPLJFMVCHO-QVBLYVSOSA-N,"InChI=1S/C22H28O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-12,21-24H,1-6H3/t11-,12-,21-,22-/m0/s1",COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O,C22H28O7,,404.1835032359999,CAUANPLJFMVCHO,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Licaria aurea,6026397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria aurea'],6,2,8.867645502090454 15096,3027,1725,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-AXWIHUDSSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.084911396,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15097,3027,1725,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-AXWIHUDSSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.084911396,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15098,3026,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1sodium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,1,6.5 15099,3025,-1,,,,0.4534509,ISDB,DJOOMNLGIUGRKD-UHFFFAOYSA-N,"InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3",CC1=CCC(C(C)(C)O)CC1=O,C10H16O2,,168.115029752,DJOOMNLGIUGRKD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,6.813803553581238 15100,3024,2292,Alkaloids,Ornithine alkaloids,Polyamines,0.435245,ISDB,KVWGMVKLGMSMQY-QHKWOANTSA-N,"InChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)29-15-3-4-16-30(17-5-14-28)27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,31-32H,3-5,14-17,28H2,1-2H3,(H,29,33)/b12-8+,13-9+",COc1cc(/C=C/C(=O)NCCCCN(CCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C27H35N3O6,,497.25258584,KVWGMVKLGMSMQY,Alkaloids,Ornithine alkaloids,Polyamines,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.24098002910614 15101,3023,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 15102,3023,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 15103,3021,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,3,7.5 15104,3021,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 15105,3021,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-JCCHURMHSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29-,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 15106,3021,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 15107,3021,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,3,7.5 15108,3021,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-KDHKCOGYSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29-,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 15109,3019,779,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,GWTOQEBQDIMEKO-HJTDWNHISA-N,"InChI=1S/C32H46O5/c1-9-36-27(33)14-15-29(7)24(20(2)3)10-11-26-25(29)13-17-32(26)22(5)12-16-30(32,8)23(6)19-31(35)18-21(4)28(34)37-31/h11-12,18,23-25,35H,2,9-10,13-17,19H2,1,3-8H3/t23-,24+,25-,29+,30+,31+,32+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(C)=CC[C@@]3(C)[C@H](C)C[C@]2(O)C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)OCC,C32H46O5,pos_2_1magnesium,510.334524572,GWTOQEBQDIMEKO,Terpenoids,Diterpenoids,,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,1,6.5 15110,3018,-1,,,,0.37471962,ISDB,ZKGCXEGVGZLKCO-NJZAAPMLSA-N,"InChI=1S/C15H20O3/c1-9-6-12(18-8-9)7-11(3)13-5-4-10(2)14(16)15(13)17/h4,6,8,11,13,15,17H,5,7H2,1-3H3/t11-,13+,15+/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)[C@@H](O)C1=O,C15H20O3,,248.1412445,ZKGCXEGVGZLKCO,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,7.498878479003906 15111,3017,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.60168755,ISDB,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha pubescens,218940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha pubescens'],6,3,9.906750202178955 15112,3017,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.60168755,ISDB,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,9.906750202178955 15113,3016,-1,,,,0.76614296,ISDB,QYCRDWFMLDUZAG-MRVPVSSYSA-N,"InChI=1S/C12H14O2/c1-7-5-9-10(13)4-3-8(2)12(9)11(14)6-7/h5-6,8,14H,3-4H2,1-2H3/t8-/m1/s1",Cc1cc(O)c2c(c1)C(=O)CC[C@H]2C,C12H14O2,,190.099379688,QYCRDWFMLDUZAG,Terpenoids,,,Dysoxylum parasiticum,5233198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Dysoxylum'],['Dysoxylum parasiticum'],3,0,6.064571857452393 15114,3015,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 15115,3015,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 15116,3015,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 15117,3015,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 15118,3015,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 15119,3015,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 15120,3014,-1,,,,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_1_1sodium,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,8.0 15121,3014,-1,,,,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_1_1sodium,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,8.0 15122,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RXINVPCFSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.19446184399976,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 15123,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 15124,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-IMNWWGSQSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13-,14+,15-,16+,17-,18+,19+,20+,21+/m0/s1",C[C@@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.19446184399976,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 15125,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1potassium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 15126,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RQBDADRMSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14+,15-,16+,17+,18-,19+,20+,21+/m0/s1",C[C@@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.1944618439999,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 15127,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RXINVPCFSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.19446184399976,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 15128,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RXINVPCFSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.19446184399976,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,3,7.5 15129,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1potassium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 15130,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RQBDADRMSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14+,15-,16+,17+,18-,19+,20+,21+/m0/s1",C[C@@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.1944618439999,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 15131,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RXINVPCFSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.19446184399976,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 15132,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RXINVPCFSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.19446184399976,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,3,7.5 15133,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1potassium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 15134,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RQBDADRMSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14+,15-,16+,17+,18-,19+,20+,21+/m0/s1",C[C@@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.1944618439999,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 15135,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 15136,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-RXINVPCFSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.19446184399976,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,3,7.5 15137,3013,3333,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-IMNWWGSQSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13-,14+,15-,16+,17-,18+,19+,20+,21+/m0/s1",C[C@@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1potassium,460.19446184399976,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,7.5 15138,3012,-1,,,,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_1_1proton1acetonitrile,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,8.0 15139,3012,-1,,,,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_1_1proton1acetonitrile,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,8.0 15140,3011,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JZTWSAIHBOFVRO-MINVPOHDSA-N,"InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)13-4-10(23)15-11(24)5-14(17(27)19(15)30-13)31-20-18(28)16(26)12(25)6-29-20/h1-5,12,16,18,20-22,24-28H,6H2/t12-,16+,18-,20+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C20H18O11,pos_1_1proton,434.084911396,JZTWSAIHBOFVRO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,2,8.0 15141,3011,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JZTWSAIHBOFVRO-MINVPOHDSA-N,"InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)13-4-10(23)15-11(24)5-14(17(27)19(15)30-13)31-20-18(28)16(26)12(25)6-29-20/h1-5,12,16,18,20-22,24-28H,6H2/t12-,16+,18-,20+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C20H18O11,pos_1_1proton,434.084911396,JZTWSAIHBOFVRO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,2,8.0 15142,3010,-1,,,,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1potassium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,0,6.0 15143,3010,-1,,,,0.0,MS1_match,DNZSCKMZMWYBGM-ZCFIWIBFSA-N,"InChI=1S/C12H12O5/c1-6-5-8-7(11(14)16-2)3-4-9(13)10(8)12(15)17-6/h3-4,6,13H,5H2,1-2H3/t6-/m1/s1",COC(=O)c1ccc(O)c2c1C[C@@H](C)OC2=O,C12H12O5,pos_2MNa,236.068473484,DNZSCKMZMWYBGM,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 15144,3009,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.3830414,ISDB,VRXLDKQKMDSSHS-LYFQOWASSA-N,"InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)28-30(24-20(36)8-15(32)9-22(24)39-28)25-23(40-29(30)38)11-18(34)16-10-21(37)26(41-27(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,21,26,28,31-37H,10H2/t21-,26-,28-,30-/m1/s1",O=C1Oc2cc(O)c3c(c2[C@@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3,C30H22O11,,558.116211524,VRXLDKQKMDSSHS,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],5,3,8.03216564655304 15145,3008,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.6992813,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.297125101089478 15146,3003,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5077312,ISDB,RJLAJQDKXWWUNG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13(12)14/h4-5,10,13-14H,6-7H2,1-3H3",Cc1ccc(C)c2c1CCC(C)C2O,C13H18O,,190.135765196,RJLAJQDKXWWUNG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.5309247970581055 15147,3001,-1,,,,0.77260727,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],4,0,7.090429067611694 15148,2999,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.84583396,ISDB,QEUOCUPPPSPUBH-SKKNNVLYSA-N,"InChI=1S/C19H20O6/c1-12(9-15-11-19(2,22)18(21)24-15)7-8-23-14-5-3-13-4-6-17(20)25-16(13)10-14/h3-7,10,15,22H,8-9,11H2,1-2H3/b12-7+/t15-,19-/m1/s1",C/C(=C\COc1ccc2ccc(=O)oc2c1)C[C@@H]1C[C@@](C)(O)C(=O)O1,C19H20O6,,344.12598836,QEUOCUPPPSPUBH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Clausena excavata,571298.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Clausena'],['Clausena excavata'],4,1,7.883335828781128 15149,2998,-1,,,,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_2MHNH3,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,0,6.0 15150,2997,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,pos_1_1proton1methanol,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15151,2994,-1,,,,0.81153935,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.24615740776062 15152,2993,1844,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.7755639,ISDB,CAENGMLSMONNBU-QLYOBGCHSA-N,"InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,CAENGMLSMONNBU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus tomentosa,677509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus tomentosa'],8,2,12.102255582809448 15153,2992,-1,,,,0.0,MS1_match,DRLPXFRWJUZTMG-HDGJIVNHSA-N,"InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3/t16-,17+,22+,23+,24-,25+,26+/m1/s1",COc1cc(C[C@@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C26H36O11,pos_1_1sodium,524.2257619719998,DRLPXFRWJUZTMG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15154,2992,-1,,,,0.0,MS1_match,DRLPXFRWJUZTMG-HDGJIVNHSA-N,"InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3/t16-,17+,22+,23+,24-,25+,26+/m1/s1",COc1cc(C[C@@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C26H36O11,pos_1_1sodium,524.2257619719998,DRLPXFRWJUZTMG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15155,2992,-1,,,,0.0,MS1_match,BAVLMBOWTIUCML-UOMFZXEISA-N,"InChI=1S/C26H36O11/c1-14-22(29)24(31)25(32)26(36-14)35-13-21(23(30)16-7-8-17(28)19(12-16)33-2)37-18-9-6-15(5-4-10-27)11-20(18)34-3/h6-9,11-12,14,21-32H,4-5,10,13H2,1-3H3/t14-,21-,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Oc2ccc(CCCO)cc2OC)ccc1O,C26H36O11,pos_1_1sodium,524.225761972,BAVLMBOWTIUCML,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15156,2992,-1,,,,0.0,MS1_match,BFTMSSAJWZRYLC-TYBIPXHESA-N,"InChI=1S/C26H36O11/c1-34-20-11-14(3-5-18(20)29)16(7-9-27)17(15-4-6-19(30)21(12-15)35-2)8-10-36-26-25(33)24(32)23(31)22(13-28)37-26/h3-6,11-12,16-17,22-33H,7-10,13H2,1-2H3/t16-,17+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H](CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CCO)c2ccc(O)c(OC)c2)ccc1O,C26H36O11,pos_1_1sodium,524.225761972,BFTMSSAJWZRYLC,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15157,2991,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,XBHWAKRDNVCHEC-APYVTPOUSA-N,"InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3/t16-,20+,21-,22+,23-,24+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H32O11,pos_1_1proton1ethylamine,496.1944618439999,XBHWAKRDNVCHEC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 15158,2991,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BAVLMBOWTIUCML-UOMFZXEISA-N,"InChI=1S/C26H36O11/c1-14-22(29)24(31)25(32)26(36-14)35-13-21(23(30)16-7-8-17(28)19(12-16)33-2)37-18-9-6-15(5-4-10-27)11-20(18)34-3/h6-9,11-12,14,21-32H,4-5,10,13H2,1-3H3/t14-,21-,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Oc2ccc(CCCO)cc2OC)ccc1O,C26H36O11,pos_1_1proton1ammonium,524.225761972,BAVLMBOWTIUCML,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 15159,2990,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.54156256,ISDB,ROGUIJKVZZROIQ-HZPDHXFCSA-N,"InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H24O5,,344.1623738679999,ROGUIJKVZZROIQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,2,8.166250228881836 15160,2990,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.54156256,ISDB,ROGUIJKVZZROIQ-HZPDHXFCSA-N,"InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H24O5,,344.1623738679999,ROGUIJKVZZROIQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],5,2,8.166250228881836 15161,2990,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.54156256,ISDB,ROGUIJKVZZROIQ-HZPDHXFCSA-N,"InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H24O5,,344.1623738679999,ROGUIJKVZZROIQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,2,8.166250228881836 15162,2990,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.54156256,ISDB,ROGUIJKVZZROIQ-IYBDPMFKSA-N,"InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16+",COc1cc(C[C@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H24O5,,344.162373868,ROGUIJKVZZROIQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,2,8.166250228881836 15163,2989,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46867123,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia roxburghii,3946068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia roxburghii'],3,3,6.374684929847717 15164,2989,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46867123,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Musa balbisiana,225973.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Musaceae'],['Unknown'],['Musa'],['Musa balbisiana'],3,3,6.374684929847717 15165,2989,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46867123,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia blepharocalyx,677525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia blepharocalyx'],3,3,6.374684929847717 15166,2989,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46867123,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Dioscorea oppositifolia,981893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea oppositifolia'],3,3,6.374684929847717 15167,2989,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46867123,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],3,3,6.374684929847717 15168,2989,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46867123,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma comosa,1053721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma comosa'],3,3,6.374684929847717 15169,2989,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.46867123,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Musa cavendishii,207474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Musaceae'],['Unknown'],['Musa'],['Musa acuminata'],3,3,6.374684929847717 15170,2987,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_2_2proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15171,2987,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_2_2proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15172,2987,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_2_2proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15173,2987,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_2_2proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15174,2986,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7533118,ISDB,HKEQVXVLTOSXLQ-UHFFFAOYSA-N,"InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O,C16H12O8,,332.053217344,HKEQVXVLTOSXLQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],5,3,9.51324725151062 15175,2984,274,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_2MNa,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,3,9.5 15176,2984,274,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_2MNa,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,3,9.5 15177,2983,-1,,,,0.0,MS1_match,UHWGEBWMTHODHT-CYKJOMKPSA-N,"InChI=1S/C22H32O3/c1-18(2)14-5-6-15-19(3)9-7-16(23)20(19,4)11-12-22(15)13-21(14,22)10-8-17(24)25-18/h14-15H,5-13H2,1-4H3/t14-,15-,19-,20+,21+,22-/m0/s1",CC1(C)OC(=O)CC[C@]23C[C@]24CC[C@]2(C)C(=O)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C22H32O3,pos_1_1proton1ethylamine,344.235144884,UHWGEBWMTHODHT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,7.0 15178,2982,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.79023206,ISDB,JYHZFCAVESZNKO-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3",COc1cc(CCC(=O)C=CCCc2ccc(O)cc2)ccc1O,C20H22O4,,326.151809184,JYHZFCAVESZNKO,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],3,3,7.660928249359131 15179,2982,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.79023206,ISDB,JYHZFCAVESZNKO-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3",COc1cc(CCC(=O)C=CCCc2ccc(O)cc2)ccc1O,C20H22O4,,326.151809184,JYHZFCAVESZNKO,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],3,3,7.660928249359131 15180,2981,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1proton1ammonium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 15181,2980,119,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.7367887,ISDB,MQTBVBAENOJOHV-UHFFFAOYSA-N,"InChI=1S/C15H18O3/c1-10-4-3-5-12(15(16)17)6-7-13-11(2)9-18-14(13)8-10/h4,6,9H,3,5,7-8H2,1-2H3,(H,16,17)",CC1=CCCC(C(=O)O)=CCc2c(C)coc2C1,C15H18O3,,246.125594436,MQTBVBAENOJOHV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],6,3,10.447154760360718 15182,2979,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.7336617,ISDB,,,,,,,IWJMQSHUZODASR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9346468448638916 15183,2977,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15184,2977,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15185,2977,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 15186,2976,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.8279261,ISDB,JDBSBPUNBBBQRY-UHFFFAOYSA-N,"InChI=1S/C18H14O4/c1-9-10-2-3-12-13-6-7-22-18(21)17(13)16(20)8-14(12)11(10)4-5-15(9)19/h2-5,8,19-20H,6-7H2,1H3",Cc1c(O)ccc2c1ccc1c3c(c(O)cc12)C(=O)OCC3,C18H14O4,,294.089208928,JDBSBPUNBBBQRY,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Juncus setchuensis,3964818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus setchuensis'],4,0,7.311704397201538 15187,2975,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 15188,2975,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 15189,2975,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,pos_1_1sodium,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 15190,2974,-1,,,,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_1_1proton1ethylamine,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,8.0 15191,2974,-1,,,,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_1_1proton1ethylamine,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,8.0 15192,2972,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.4031722,ISDB,JIFBCUOVFPCZEW-NSHDSACASA-N,"InChI=1S/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)NCC4)OCO3,C18H17NO4,,311.115758024,JIFBCUOVFPCZEW,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.112688779830933 15193,2971,1756,Amino acids and Peptides,,,0.58973545,ISDB,KXDYKUVJWWWXKR-HZGVNTEJSA-N,"InChI=1S/C12H12N2O5/c1-6-9(13)12(17)19-10-7(11(16)18-6)3-2-4-8(10)14-5-15/h2-6,9H,13H2,1H3,(H,14,15)/t6-,9-/m1/s1",C[C@H]1OC(=O)c2cccc(NC=O)c2OC(=O)[C@@H]1N,C12H12N2O5,,264.074621484,KXDYKUVJWWWXKR,Amino acids and Peptides,,,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,2.8589417934417725 15194,2970,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,XDMOPVQNPWVPSX-UHFFFAOYSA-N,"InChI=1S/C8H6O/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-3,5-6,9H",OC12C3=C4C5C3C1C5C42,C8H6O,pos_2MH,118.041864812,XDMOPVQNPWVPSX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Persea tolimanensis,64221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea tolimanensis'],6,0,6.0 15195,2970,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,XDMOPVQNPWVPSX-UHFFFAOYSA-N,"InChI=1S/C8H6O/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-3,5-6,9H",OC12C3=C4C5C3C1C5C42,C8H6O,pos_2MH,118.041864812,XDMOPVQNPWVPSX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,0,6.0 15196,2968,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],6,0,6.0 15197,2968,-1,,,,0.0,MS1_match,LLLBDLDNTMMZHL-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H,O=Cc1ccc2occc2c1,C9H6O2,pos_1_1proton,146.036779432,LLLBDLDNTMMZHL,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],6,0,6.0 15198,2967,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,GETDCXFOMCXXNN-OALUTQOASA-N,"InChI=1S/C19H18O4/c20-15-5-1-11-3-7-17(22)19-18(23-19)8-4-12-2-6-16(21)14(10-12)13(15)9-11/h1-2,5-6,9-10,18-21H,3-4,7-8H2/t18-,19-/m0/s1",O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)CC[C@@H]2O[C@@H]12,C19H18O4,pos_1_1proton,310.120509056,GETDCXFOMCXXNN,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,2,8.0 15199,2966,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SEWSFPXRFAJLGT-KNZPIVNISA-N,"InChI=1S/C22H22O12/c1-31-11-4-8(2-3-10(11)25)21-19(29)17(27)15-12(32-21)5-9(24)6-13(15)33-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18-,20+,22+/m0/s1",COc1cc(-c2oc3cc(O)cc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c(=O)c2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,SEWSFPXRFAJLGT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],8,3,9.5 15200,2966,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],8,3,9.5 15201,2966,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],8,3,9.5 15202,2964,-1,,,,0.0,MS1_match,WLJVXDMOQOGPHL-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",O=C(O)Cc1ccccc1,C8H8O2,pos_1_1proton,136.052429496,WLJVXDMOQOGPHL,Shikimates and Phenylpropanoids,,,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 15203,2963,-1,,,,0.0,MS1_match,RNVUYGCIXHSVLD-IQBOEBEZSA-N,"InChI=1S/C28H32O16/c1-9-16(33)19(36)21(38)27(40-9)44-26-20(37)17(34)14(8-29)41-28(26)43-25-18(35)15-12(31)7-13(32)23(39-2)24(15)42-22(25)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-21,26-34,36-38H,8H2,1-2H3/t9-,14+,16-,17+,19+,20-,21+,26+,27+,28-/m0/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C28H32O16,pos_1_1proton,624.169034944,RNVUYGCIXHSVLD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 15204,2962,-1,,,,0.0,MS1_match,QJYNZEYHSMRWBK-NIKIMHBISA-N,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H32O26,pos_1_1proton1ammonium,940.1181811440002,QJYNZEYHSMRWBK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,0,7.0 15205,2962,-1,,,,0.0,MS1_match,VWEHKCLUPVSLTL-LNMRATFYSA-N,"InChI=1S/C41H32O26/c42-11-28(64-38(59)14-3-20(45)31(54)21(46)4-14)35(66-40(61)16-7-24(49)33(56)25(50)8-16)36(67-41(62)17-9-26(51)34(57)27(52)10-17)29(65-39(60)15-5-22(47)32(55)23(48)6-15)12-63-37(58)13-1-18(43)30(53)19(44)2-13/h1-11,28-29,35-36,43-57H,12H2/t28-,29+,35+,36+/m0/s1",O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1,C41H32O26,pos_1_1proton1ammonium,940.118181144,VWEHKCLUPVSLTL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,0,7.0 15206,2960,-1,,,,0.5504478,ISDB,TUTLRKKYUXPDGN-OAHLLOKOSA-N,"InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1",COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C19H19NO4,,325.131408088,TUTLRKKYUXPDGN,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis taliensis,402711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis taliensis'],3,0,5.201791286468506 15207,2960,-1,,,,0.5504478,ISDB,TUTLRKKYUXPDGN-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C19H19NO4,,325.131408088,TUTLRKKYUXPDGN,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Thalictrum fendleri,500543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum fendleri'],3,0,5.201791286468506 15208,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 15209,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 15210,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 15211,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 15212,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 15213,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 15214,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 15215,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 15216,2959,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 15217,2958,-1,,,,0.22807129,ISDB,,,,,,,FIXDIFPJOFIIEC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9122851490974426 15218,2957,-1,,,,0.0,MS1_match,RNVUYGCIXHSVLD-IQBOEBEZSA-N,"InChI=1S/C28H32O16/c1-9-16(33)19(36)21(38)27(40-9)44-26-20(37)17(34)14(8-29)41-28(26)43-25-18(35)15-12(31)7-13(32)23(39-2)24(15)42-22(25)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-21,26-34,36-38H,8H2,1-2H3/t9-,14+,16-,17+,19+,20-,21+,26+,27+,28-/m0/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C28H32O16,pos_2MNa,624.169034944,RNVUYGCIXHSVLD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,0,7.0 15219,2956,2583,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5586659,ISDB,WSVMVVOOYCCXOK-UHFFFAOYSA-N,"InChI=1S/C22H16O8/c23-12-4-1-10(2-5-12)7-13-15(25)9-17(27)18-19(28)20(29)21(30-22(13)18)11-3-6-14(24)16(26)8-11/h1-6,8-9,23-27,29H,7H2",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12,C22H16O8,,408.084517472,WSVMVVOOYCCXOK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Thymus willdenowii,5144711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus striatus'],3,3,6.734663486480713 15220,2956,2583,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5586659,ISDB,WSVMVVOOYCCXOK-UHFFFAOYSA-N,"InChI=1S/C22H16O8/c23-12-4-1-10(2-5-12)7-13-15(25)9-17(27)18-19(28)20(29)21(30-22(13)18)11-3-6-14(24)16(26)8-11/h1-6,8-9,23-27,29H,7H2",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12,C22H16O8,,408.084517472,WSVMVVOOYCCXOK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Thymus hirtus,626525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia aegyptiaca'],3,3,6.734663486480713 15221,2955,-1,,,,0.0,MS1_match,IWMQBRQITMMJFZ-UHFFFAOYSA-N,"InChI=1S/C20H20O4/c1-24-20-10-6-13-5-8-15(21)3-2-4-18(22)14-7-9-19(23)16(12-14)17(20)11-13/h6-7,9-12,23H,2-5,8H2,1H3",COc1ccc2cc1-c1cc(ccc1O)C(=O)CCCC(=O)CC2,C20H20O4,pos_2_2proton,324.13615912,IWMQBRQITMMJFZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Betula davurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,6.0 15222,2955,-1,,,,0.0,MS1_match,IWMQBRQITMMJFZ-UHFFFAOYSA-N,"InChI=1S/C20H20O4/c1-24-20-10-6-13-5-8-15(21)3-2-4-18(22)14-7-9-19(23)16(12-14)17(20)11-13/h6-7,9-12,23H,2-5,8H2,1H3",COc1ccc2cc1-c1cc(ccc1O)C(=O)CCCC(=O)CC2,C20H20O4,pos_2_2proton,324.13615912,IWMQBRQITMMJFZ,Shikimates and Phenylpropanoids,Diarylheptanoids,Biaryl type diarylheptanoids,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,6.0 15223,2955,-1,,,,0.0,MS1_match,ZEZGBCQEBHRYPA-JGSLLADXSA-N,"InChI=1S/C20H20O4/c1-23-20-18(22)12-15-4-2-3-5-16(21)9-6-14-7-10-17(11-8-14)24-19(20)13-15/h2-5,7-8,10-13,16,21-22H,6,9H2,1H3/b4-2-,5-3+/t16-/m0/s1",COc1c(O)cc2cc1Oc1ccc(cc1)CC[C@@H](O)/C=C/C=C\2,C20H20O4,pos_2_2proton,324.13615912,ZEZGBCQEBHRYPA,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,0,6.0 15224,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],7,3,8.5 15225,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,3,8.5 15226,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,3,8.5 15227,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus aria,222834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aria'],7,3,8.5 15228,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1proton,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,3,8.5 15229,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JGUZGNYPMHHYRK-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,C16H12O7,pos_1_1proton,316.058302724,JGUZGNYPMHHYRK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,3,8.5 15230,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus sanguinea,60981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus sanguinea'],7,3,8.5 15231,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,3,8.5 15232,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,3,8.5 15233,2954,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus intermedia,317926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus intermedia'],7,3,8.5 15234,2951,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-N,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H28O15,pos_1_1sodium,580.142820196,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 15235,2951,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C26H29O15+,pos_1_1sodium,581.1500966480899,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rubus coreanus,91575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus coreanus'],6,0,6.0 15236,2951,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-AOBOYTTNSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C26H29O15+,pos_1_1sodium,581.1500966480899,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,0,6.0 15237,2951,-1,,,,0.0,MS1_match,LSVDZSJFTRYMRU-SHTWCFQWSA-N,"InChI=1S/C26H28O15/c27-7-14-17(31)20(34)22(36)26(39-14)40-15-8-37-25(21(35)18(15)32)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15+,17-,18-,20+,21+,22-,25-,26+/m1/s1",O=c1c(O[C@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C26H28O15,pos_1_1sodium,580.142820196,LSVDZSJFTRYMRU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 15238,2951,-1,,,,0.0,MS1_match,LSVDZSJFTRYMRU-SHTWCFQWSA-N,"InChI=1S/C26H28O15/c27-7-14-17(31)20(34)22(36)26(39-14)40-15-8-37-25(21(35)18(15)32)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15+,17-,18-,20+,21+,22-,25-,26+/m1/s1",O=c1c(O[C@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C26H28O15,pos_1_1sodium,580.142820196,LSVDZSJFTRYMRU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 15239,2950,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,NLZCOTZRUWYPTP-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C22H22O10,pos_1_1proton1ethylamine,446.121296904,NLZCOTZRUWYPTP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,1,6.5 15240,2950,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,NLZCOTZRUWYPTP-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C22H22O10,pos_1_1proton1ethylamine,446.121296904,NLZCOTZRUWYPTP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula obscura,3929999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula x obscura'],6,1,6.5 15241,2950,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,NLZCOTZRUWYPTP-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C22H22O10,pos_1_1proton1ethylamine,446.121296904,NLZCOTZRUWYPTP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,1,6.5 15242,2950,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,NLZCOTZRUWYPTP-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C22H22O10,pos_1_1proton1ethylamine,446.121296904,NLZCOTZRUWYPTP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,1,6.5 15243,2950,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,NLZCOTZRUWYPTP-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C22H22O10,pos_1_1proton1ethylamine,446.121296904,NLZCOTZRUWYPTP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula obscura,3929999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula x obscura'],6,1,6.5 15244,2950,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,NLZCOTZRUWYPTP-MIUGBVLSSA-N,"InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C22H22O10,pos_1_1proton1ethylamine,446.121296904,NLZCOTZRUWYPTP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,1,6.5 15245,2949,-1,,,,0.0,MS1_match,DKOVFEOUMNYYQW-SMYHHOMKSA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(34-12)33-11-16-15-8-13(4-3-7-26)9-18(28)24(15)35-23(16)14-5-6-17(27)19(10-14)32-2/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,DKOVFEOUMNYYQW,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15246,2949,-1,,,,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1sodium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15247,2949,-1,,,,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1sodium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15248,2949,-1,,,,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1sodium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 15249,2949,-1,,,,0.0,MS1_match,HLTAJPBMZNNKMA-IODYJKNMSA-N,"InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3/t14-,16+,21+,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@@H]2CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,HLTAJPBMZNNKMA,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15250,2948,-1,,,,0.52015394,ISDB,YNPDFBFVMJNGKZ-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3",CC(=O)c1cc(C)ccc1O,C9H10O2,,150.06807956,YNPDFBFVMJNGKZ,,,,Juglans nigra,1072887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans nigra'],5,0,7.080615758895874 15251,2947,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_1_1proton1ammonium,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,3,9.5 15252,2947,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_1_1proton1ammonium,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,3,9.5 15253,2945,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,8.5 15254,2945,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 15255,2945,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 15256,2945,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 15257,2945,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 15258,2944,1741,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.5192146,ISDB,VJJPCEDEDJXHHK-ZPUQHVIOSA-N,"InChI=1S/C19H18O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h1-4,6-7,9-12,21-24H,5,8H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H18O5,,326.1154236759999,VJJPCEDEDJXHHK,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,10.576858282089233 15259,2943,1073,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,QCDYOIZVELGOLZ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1,C18H16O6,pos_2_2proton,328.094688232,QCDYOIZVELGOLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 15260,2943,1073,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VOLPCZWHFBZDQT-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-16-14(20)13-11(19)9-12(10-7-5-4-6-8-10)24-15(13)17(22-2)18(16)23-3/h4-9,20H,1-3H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC,C18H16O6,pos_2_2proton,328.09468823199995,VOLPCZWHFBZDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,3,8.5 15261,2942,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 15262,2942,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 15263,2940,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],7,0,7.0 15264,2938,2155,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8839027,ISDB,LSVDZSJFTRYMRU-SHTWCFQWSA-N,"InChI=1S/C26H28O15/c27-7-14-17(31)20(34)22(36)26(39-14)40-15-8-37-25(21(35)18(15)32)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15+,17-,18-,20+,21+,22-,25-,26+/m1/s1",O=c1c(O[C@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C26H28O15,,580.142820196,LSVDZSJFTRYMRU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,3,11.035610914230347 15265,2938,2155,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8839027,ISDB,LSVDZSJFTRYMRU-SHTWCFQWSA-N,"InChI=1S/C26H28O15/c27-7-14-17(31)20(34)22(36)26(39-14)40-15-8-37-25(21(35)18(15)32)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15+,17-,18-,20+,21+,22-,25-,26+/m1/s1",O=c1c(O[C@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C26H28O15,,580.142820196,LSVDZSJFTRYMRU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,3,11.035610914230347 15266,2936,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DKOVFEOUMNYYQW-SMYHHOMKSA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(34-12)33-11-16-15-8-13(4-3-7-26)9-18(28)24(15)35-23(16)14-5-6-17(27)19(10-14)32-2/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,DKOVFEOUMNYYQW,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 15267,2936,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1proton1ammonium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 15268,2936,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1proton1ammonium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 15269,2936,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1proton1ammonium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,7.5 15270,2935,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Tsuga chinensis,608487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga chinensis'],6,0,6.0 15271,2934,-1,,,,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_2MHNH3,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,8.0 15272,2934,-1,,,,0.0,MS1_match,AQRNEKDRSXYJIN-UHFFFAOYSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OCC(O)C(O)C1O,C24H30O10,pos_2MHNH3,478.18389716,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus incana,791133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus incana'],8,0,8.0 15273,2933,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.46956855,ISDB,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,10.378274202346802 15274,2933,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.46956855,ISDB,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,10.378274202346802 15275,2933,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.46956855,ISDB,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,10.378274202346802 15276,2933,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.46956855,ISDB,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,10.378274202346802 15277,2933,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.46956855,ISDB,MVIYWFBLVAFZID-AWEZNQCLSA-N,"InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1,C19H22O6,,346.14163842399995,MVIYWFBLVAFZID,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,10.378274202346802 15278,2932,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.30634633,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,9.725385308265686 15279,2932,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.30634633,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,9.725385308265686 15280,2932,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.30634633,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,9.725385308265686 15281,2932,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.30634633,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,9.725385308265686 15282,2931,2413,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6017666,ISDB,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.907066345214844 15283,2930,514,Alkaloids,Ornithine alkaloids,Polyamines,0.48753774,ISDB,NNUOUKPPTMCFQE-YHYXMXQVSA-N,"InChI=1S/C12H24N4O2/c1-10(9-17)5-8-16(12(13)14)7-4-3-6-15-11(2)18/h5,17H,3-4,6-9H2,1-2H3,(H3,13,14)(H,15,18)/b10-5-",CC(=O)NCCCCN(C/C=C(/C)CO)C(=N)N,C12H24N4O2,,256.189926008,NNUOUKPPTMCFQE,Alkaloids,Ornithine alkaloids,Polyamines,Galega orientalis,761640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Galega'],['Galega orientalis'],4,3,7.450150966644287 15284,2929,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8111101,ISDB,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.74444031715393 15285,2925,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,pos_1_1proton1methanol,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15286,2924,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 15287,2924,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 15288,2924,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1sodium,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 15289,2923,549,Polyketides,Naphthalenes,Naphthalenones,0.63808006,ISDB,YVFDRXJKRIDQPY-QMMMGPOBSA-N,"InChI=1S/C11H12O3/c1-14-10-4-2-3-7-8(12)5-6-9(13)11(7)10/h2-4,8,12H,5-6H2,1H3/t8-/m0/s1",COc1cccc2c1C(=O)CC[C@@H]2O,C11H12O3,,192.078644244,YVFDRXJKRIDQPY,Polyketides,Naphthalenes,Naphthalenones,Garcinia atroviridis,724104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia atroviridis'],4,3,8.0523202419281 15290,2922,505,Alkaloids,Aromatic polyketides,Catechols with side chains,0.5483878,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1935513019561768 15291,2921,-1,,,,0.66390574,ISDB,CJAWLAWAWJGSJC-HULLSVINSA-N,"InChI=1S/C17H30N2O2/c1-13-10-14(12-15-6-3-4-8-18(15)20)16-7-5-9-19(2,21)17(16)11-13/h13-14,16-17H,3-12H2,1-2H3/t13-,14+,16-,17-,19+/m1/s1",C[C@@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@H]2CCC[N@+](C)([O-])[C@@H]2C1,C17H30N2O2,,294.2307282,CJAWLAWAWJGSJC,Alkaloids,Lysine alkaloids,,Huperzia serrata,643276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Huperzia'],['Huperzia serrata'],3,0,5.655622959136963 15292,2920,2335,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15293,2913,933,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XUUODWXANHZAFB-OKOXDJDNSA-N,"InChI=1S/C30H26O12/c1-14-24(35)26(37)29(42-22(34)11-4-15-2-7-17(31)8-3-15)30(39-14)40-19-12-20(33)23-21(13-19)41-28(27(38)25(23)36)16-5-9-18(32)10-6-16/h2-14,24,26,29-33,35,37-38H,1H3/b11-4+/t14-,24-,26+,29+,30-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1O,C30H26O12,pos_1_minus1proton1magnesium,578.142426272,XUUODWXANHZAFB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],6,3,7.5 15294,2911,-1,,,,0.0,MS1_match,PHHIEOZUONPPQY-ROQFLNLZSA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23+,25-/m0/s1",COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1proton,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 15295,2910,3427,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.271507,ISDB,RPGAWEBIJRTSRG-SQJMNOBHSA-N,"InChI=1S/C25H28O8/c1-15(26)30-11-5-6-18-7-9-22-20(12-18)21(14-31-16(2)27)25(33-22)19-8-10-23(32-17(3)28)24(13-19)29-4/h7-10,12-13,21,25H,5-6,11,14H2,1-4H3/t21-,25+/m0/s1",COc1cc([C@H]2Oc3ccc(CCCOC(C)=O)cc3[C@@H]2COC(C)=O)ccc1OC(C)=O,C25H28O8,,456.1784178559999,RPGAWEBIJRTSRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],3,3,5.586027979850769 15296,2910,3427,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.271507,ISDB,RPGAWEBIJRTSRG-UHFFFAOYSA-N,"InChI=1S/C25H28O8/c1-15(26)30-11-5-6-18-7-9-22-20(12-18)21(14-31-16(2)27)25(33-22)19-8-10-23(32-17(3)28)24(13-19)29-4/h7-10,12-13,21,25H,5-6,11,14H2,1-4H3",COc1cc(C2Oc3ccc(CCCOC(C)=O)cc3C2COC(C)=O)ccc1OC(C)=O,C25H28O8,,456.178417856,RPGAWEBIJRTSRG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],3,3,5.586027979850769 15297,2908,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YUUHBLRWEZLNID-KRLRGZGNSA-N,"InChI=1S/C33H46N2O5/c1-18(34(5)6)23-13-14-24-22-11-12-26-29(40-19(2)36)28(35-30(38)20-9-7-8-10-21(20)31(35)39)27(37)17-33(26,4)25(22)15-16-32(23,24)3/h7-10,18,22-29,37H,11-17H2,1-6H3/t18-,22-,23+,24-,25-,26+,27+,28-,29+,32+,33+/m0/s1",CC(=O)O[C@H]1[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](O)C[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]12,C33H46N2O5,pos_1_1proton1methanol,550.3406725719999,YUUHBLRWEZLNID,Terpenoids,Steroids,Pregnane steroids,Pachysandra procumbens,594984.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra procumbens'],6,0,6.0 15298,2904,2318,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YNPUJIONBZSHJT-IXOMFOKQSA-N,"InChI=1S/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17-24,26-28H,1H3/t8-,15-,17+,18-,19+,20-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H](O)C3=O)[C@H](O)[C@H](O)[C@H]1O,C21H22O10,pos_1_1sodium,434.121296904,YNPUJIONBZSHJT,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Chengiopanax sciadophylloides,989139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Chengiopanax'],['Chengiopanax sciadophylloides'],6,2,7.0 15299,2902,-1,,,,0.7307406,ISDB,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],6,0,8.922962427139282 15300,2900,-1,,,,0.0,MS1_match,JDYQUVYFBYLQIM-CNNODRBYSA-N,"InChI=1S/C22H34O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h8,14,18-19H,7,9-13H2,1-6H3/t18-,19-,22+/m0/s1",CC(=O)OC(C)(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1,C22H34O2,pos_1_minus1proton1iron,330.255880328,JDYQUVYFBYLQIM,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,0,7.0 15301,2899,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 15302,2899,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 15303,2899,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,3,7.5 15304,2899,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 15305,2899,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,3,7.5 15306,2899,97,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,pos_1_1sodium,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,3,7.5 15307,2896,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.5981669,ISDB,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,9.892667531967163 15308,2892,2292,Alkaloids,Ornithine alkaloids,Polyamines,0.3762114,ISDB,KVWGMVKLGMSMQY-QHKWOANTSA-N,"InChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)29-15-3-4-16-30(17-5-14-28)27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,31-32H,3-5,14-17,28H2,1-2H3,(H,29,33)/b12-8+,13-9+",COc1cc(/C=C/C(=O)NCCCCN(CCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C27H35N3O6,,497.25258584,KVWGMVKLGMSMQY,Alkaloids,Ornithine alkaloids,Polyamines,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.00484561920166 15309,2891,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.5398151,ISDB,,,,,,,VBXSDYNXURBEQH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1592605113983154 15310,2890,242,Terpenoids,Apocarotenoids,Megastigmanes,0.36726043,ISDB,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],4,3,6.969041705131531 15311,2890,242,Terpenoids,Apocarotenoids,Megastigmanes,0.36726043,ISDB,DQQUPMXQGJRNAW-HYPVQEEESA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21+,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],4,3,6.969041705131531 15312,2890,242,Terpenoids,Apocarotenoids,Megastigmanes,0.36726043,ISDB,DQQUPMXQGJRNAW-LCIZJANLSA-N,"InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+/t13-,15+,16-,17-,18+,19-,20+,21-,22-,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H38O11,,502.241412036,DQQUPMXQGJRNAW,Terpenoids,Apocarotenoids,Megastigmanes,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],4,3,6.969041705131531 15313,2887,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],8,3,9.5 15314,2887,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 15315,2887,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],8,3,9.5 15316,2887,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 15317,2887,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],8,3,9.5 15318,2884,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-AXWIHUDSSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.084911396,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15319,2884,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-AXWIHUDSSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.084911396,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15320,2883,-1,,,,0.9671589,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,9.868635654449463 15321,2883,-1,,,,0.9671589,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],6,0,9.868635654449463 15322,2883,-1,,,,0.9671589,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],6,0,9.868635654449463 15323,2882,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15324,2881,-1,,,,0.0,MS1_match,YQZGDKAOATWZIG-YYMOATHLSA-N,"InChI=1S/C16H22O9/c17-4-9(8-1-2-10-11(3-8)24-7-23-10)6-22-16-15(21)14(20)13(19)12(5-18)25-16/h1-3,9,12-21H,4-7H2/t9-,12-,13-,14+,15-,16-/m1/s1",OC[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc2c(c1)OCO2,C16H22O9,pos_1_1proton1ethylamine,358.126382284,YQZGDKAOATWZIG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 15325,2881,-1,,,,0.0,MS1_match,YQZGDKAOATWZIG-YYMOATHLSA-N,"InChI=1S/C16H22O9/c17-4-9(8-1-2-10-11(3-8)24-7-23-10)6-22-16-15(21)14(20)13(19)12(5-18)25-16/h1-3,9,12-21H,4-7H2/t9-,12-,13-,14+,15-,16-/m1/s1",OC[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc2c(c1)OCO2,C16H22O9,pos_1_1proton1ethylamine,358.126382284,YQZGDKAOATWZIG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 15326,2873,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15327,2873,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15328,2873,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15329,2871,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15330,2870,1596,Polyketides,Lignans,Miscellaneous meroterpenoids,0.45420688,ISDB,BJIMPBHILOPLBT-LLVKDONJSA-N,"InChI=1S/C12H14O3/c1-12(2,14)11-6-9-5-8(7-13)3-4-10(9)15-11/h3-5,7,11,14H,6H2,1-2H3/t11-/m1/s1",CC(C)(O)[C@H]1Cc2cc(C=O)ccc2O1,C12H14O3,,206.094294308,BJIMPBHILOPLBT,Terpenoids,Meroterpenoids,Miscellaneous meroterpenoids,Zanthoxylum wutaiense,570620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum wutaiense'],3,3,6.3168275356292725 15331,2869,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6592422,ISDB,NRLDULXFOAMEBL-AYHDWYHFSA-N,"InChI=1S/C26H46N2O2/c1-16(28(5)6)21-17(30)13-24(4)19-8-7-18-22(2,15-29)20(27)9-10-25(18)14-26(19,25)12-11-23(21,24)3/h16-21,29-30H,7-15,27H2,1-6H3/t16-,17+,18-,19-,20-,21-,22+,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H46N2O2,,418.355928712,NRLDULXFOAMEBL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.136968851089478 15332,2868,-1,,,,0.0,MS1_match,KVWGMVKLGMSMQY-QHKWOANTSA-N,"InChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)29-15-3-4-16-30(17-5-14-28)27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,31-32H,3-5,14-17,28H2,1-2H3,(H,29,33)/b12-8+,13-9+",COc1cc(/C=C/C(=O)NCCCCN(CCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C27H35N3O6,pos_1_1sodium,497.25258584,KVWGMVKLGMSMQY,Alkaloids,Ornithine alkaloids,Polyamines,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15333,2866,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,3,7.5 15334,2866,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 15335,2866,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-JCCHURMHSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29-,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 15336,2866,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 15337,2866,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,3,7.5 15338,2866,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-KDHKCOGYSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29-,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 15339,2865,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,FBMFMDSVTBIJPB-CKTRUMDJSA-N,"InChI=1S/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38)/t20-,23+,24-,25+,26-,27-,28-,30+,31+,32-,33+/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]12C)N(C)C,C33H46N2O4,pos_1_1proton1methanol,534.345757952,FBMFMDSVTBIJPB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,8.5 15340,2863,328,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,0.9206266,ISDB,SAEZZWNICTYMTI-UHFFFAOYSA-N,"InChI=1S/C14H16O4/c1-8-3-5-13-7-10(16)17-11(13)12(2)9(15)4-6-14(8,12)18-13/h4,6,8,11H,3,5,7H2,1-2H3",CC1CCC23CC(=O)OC2C2(C)C(=O)C=CC12O3,C14H16O4,,248.104858992,SAEZZWNICTYMTI,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Parthenium hysterophorus,875356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium hysterophorus'],4,3,9.182506322860718 15341,2862,389,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DLMNMDWSPBXDSA-GACAOOTDSA-N,"InChI=1S/C35H54N2O6/c1-20(37(5)6)28-22(39)17-33(4)26-10-9-25-31(2,19-38)27(11-12-34(25)18-35(26,34)14-13-32(28,33)3)36-30(41)21-15-23(42-7)29(40)24(16-21)43-8/h15-16,20,22,25-28,38-40H,9-14,17-19H2,1-8H3,(H,36,41)/t20-,22+,25-,26-,27-,28-,31-,32+,33-,34+,35-/m0/s1",COc1cc(C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C35H54N2O6,pos_2_2proton,598.3981874479999,DLMNMDWSPBXDSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 15342,2861,2778,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.270983,ISDB,XRIDGQVLGQMCMX-OLEFQQMKSA-N,"InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1",COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O,C15H16O7,,308.089602852,XRIDGQVLGQMCMX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis terniflora var. mandshurica,446556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis terniflora'],4,3,6.583932042121887 15343,2858,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,pos_1_1sodium,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 15344,2857,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.5297461,ISDB,ROGUIJKVZZROIQ-HZPDHXFCSA-N,"InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H24O5,,344.1623738679999,ROGUIJKVZZROIQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,2,8.118984460830688 15345,2857,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.5297461,ISDB,ROGUIJKVZZROIQ-HZPDHXFCSA-N,"InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H24O5,,344.1623738679999,ROGUIJKVZZROIQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],5,2,8.118984460830688 15346,2857,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.5297461,ISDB,ROGUIJKVZZROIQ-HZPDHXFCSA-N,"InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H24O5,,344.1623738679999,ROGUIJKVZZROIQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],5,2,8.118984460830688 15347,2857,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.5297461,ISDB,ROGUIJKVZZROIQ-IYBDPMFKSA-N,"InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16+",COc1cc(C[C@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H24O5,,344.162373868,ROGUIJKVZZROIQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,2,8.118984460830688 15348,2856,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.45807338,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Musa cavendishii,207474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Musaceae'],['Unknown'],['Musa'],['Musa acuminata'],3,3,6.332293510437012 15349,2856,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.45807338,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Musa balbisiana,225973.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Musaceae'],['Unknown'],['Musa'],['Musa balbisiana'],3,3,6.332293510437012 15350,2856,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.45807338,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma comosa,1053721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma comosa'],3,3,6.332293510437012 15351,2856,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.45807338,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],3,3,6.332293510437012 15352,2856,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.45807338,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Dioscorea oppositifolia,981893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea oppositifolia'],3,3,6.332293510437012 15353,2856,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.45807338,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia roxburghii,3946068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia roxburghii'],3,3,6.332293510437012 15354,2856,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.45807338,ISDB,QIROPQQWKBMABC-ZPUQHVIOSA-N,"InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1,C19H18O3,,294.125594436,QIROPQQWKBMABC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia blepharocalyx,677525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia blepharocalyx'],3,3,6.332293510437012 15355,2855,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.779469,ISDB,JYHZFCAVESZNKO-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3",COc1cc(CCC(=O)C=CCCc2ccc(O)cc2)ccc1O,C20H22O4,,326.151809184,JYHZFCAVESZNKO,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],3,3,7.617876052856445 15356,2855,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.779469,ISDB,JYHZFCAVESZNKO-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3",COc1cc(CCC(=O)C=CCCc2ccc(O)cc2)ccc1O,C20H22O4,,326.151809184,JYHZFCAVESZNKO,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],3,3,7.617876052856445 15357,2852,-1,,,,0.946492,ISDB,FMMBDZGNMFRGMV-RKSFUGBBSA-N,"InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)/t16-,20-,22+,23-,26+,27-/m1/s1",C[C@@](O)(CC(=O)O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C27H28O16,,608.137734816,FMMBDZGNMFRGMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],4,0,7.785968065261841 15358,2851,514,Alkaloids,Ornithine alkaloids,Polyamines,0.3871207,ISDB,,,,,,,GCIAPIXVBLMJKR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5484827756881714 15359,2850,2361,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.6408199,ISDB,KLPUXMNQDCUPNO-DXKBKAGUSA-N,"InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1",COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O,C21H24O9,,420.1420323479998,KLPUXMNQDCUPNO,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.063279628753662 15360,2848,-1,,,,0.0,MS1_match,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,pos_1_1proton,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,0,8.0 15361,2847,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6592262,ISDB,ANNNBEZJTNCXHY-UHFFFAOYSA-N,"InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3",COc1cc(C=Cc2cc(O)cc(O)c2)ccc1O,C15H14O4,,258.089208928,ANNNBEZJTNCXHY,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,10.1369047164917 15362,2846,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6277801,ISDB,DLMNMDWSPBXDSA-GACAOOTDSA-N,"InChI=1S/C35H54N2O6/c1-20(37(5)6)28-22(39)17-33(4)26-10-9-25-31(2,19-38)27(11-12-34(25)18-35(26,34)14-13-32(28,33)3)36-30(41)21-15-23(42-7)29(40)24(16-21)43-8/h15-16,20,22,25-28,38-40H,9-14,17-19H2,1-8H3,(H,36,41)/t20-,22+,25-,26-,27-,28-,31-,32+,33-,34+,35-/m0/s1",COc1cc(C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C35H54N2O6,,598.3981874479999,DLMNMDWSPBXDSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.011120319366455 15363,2845,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.645964,ISDB,OSCHVWVCQJBFNN-USXIJHARSA-N,"InChI=1S/C18H20O5/c1-22-18-8-12(4-7-15(18)20)14-9-17(23-10-16(14)21)11-2-5-13(19)6-3-11/h2-8,14,16-17,19-21H,9-10H2,1H3/t14-,16+,17+/m0/s1",COc1cc([C@@H]2C[C@H](c3ccc(O)cc3)OC[C@H]2O)ccc1O,C18H20O5,,316.13107374,OSCHVWVCQJBFNN,Shikimates and Phenylpropanoids,Lignans,Neolignans,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],3,3,7.083856105804443 15364,2844,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 15365,2844,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 15366,2843,-1,,,,0.0,MS1_match,KLPUXMNQDCUPNO-DXKBKAGUSA-N,"InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1",COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O,C21H24O9,pos_2MHNH3,420.1420323479998,KLPUXMNQDCUPNO,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 15367,2843,-1,,,,0.0,MS1_match,KLPUXMNQDCUPNO-DXKBKAGUSA-N,"InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1",COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O,C21H24O9,pos_2MHNH3,420.1420323479998,KLPUXMNQDCUPNO,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 15368,2842,-1,,,,0.9031873,ISDB,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,12.612749099731445 15369,2841,-1,,,,0.0,MS1_match,WLJVXDMOQOGPHL-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",O=C(O)Cc1ccccc1,C8H8O2,pos_1_1proton,136.052429496,WLJVXDMOQOGPHL,Shikimates and Phenylpropanoids,,,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 15370,2840,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5465699,ISDB,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.686279535293579 15371,2838,502,Shikimates and Phenylpropanoids,Isoflavonoids,Azaphilones,0.544368,ISDB,GLPDBGACWOZVNL-ZETCQYMHSA-N,"InChI=1S/C9H8O4/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-3,7,10-11H,4H2/t7-/m0/s1",O=C1c2ccc(O)cc2OC[C@@H]1O,C9H8O4,,180.042258736,GLPDBGACWOZVNL,Shikimates and Phenylpropanoids,Isoflavonoids,,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],4,2,7.177472114562988 15372,2837,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.59471697,ISDB,BJEHEPQJTRPTDU-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,1-2H3",CC#Cc1ccc(O)c(OC)c1,C10H10O2,,162.06807956,BJEHEPQJTRPTDU,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,7.378867864608765 15373,2836,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7842006,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.636802434921265 15374,2836,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7842006,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.636802434921265 15375,2835,-1,,,,0.0,MS1_match,QCDYOIZVELGOLZ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1,C18H16O6,pos_2_2proton,328.094688232,QCDYOIZVELGOLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 15376,2835,-1,,,,0.0,MS1_match,VOLPCZWHFBZDQT-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-16-14(20)13-11(19)9-12(10-7-5-4-6-8-10)24-15(13)17(22-2)18(16)23-3/h4-9,20H,1-3H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC,C18H16O6,pos_2_2proton,328.09468823199995,VOLPCZWHFBZDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,0,7.0 15377,2835,-1,,,,0.0,MS1_match,GJNBMHAJVZLBEQ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-12-9-11-13(14(19)17(12)22-2)15(20)18(23-3)16(24-11)10-7-5-4-6-8-10/h4-9,19H,1-3H3",COc1cc2oc(-c3ccccc3)c(OC)c(=O)c2c(O)c1OC,C18H16O6,pos_2_2proton,328.094688232,GJNBMHAJVZLBEQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,0,7.0 15378,2834,1381,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HGEURJWODKLRBG-ALACSZDWSA-N,"InChI=1S/C35H52N2O5/c1-20(36)30-28(42-32(39)23-17-26(40-8)31(38)27(18-23)41-9)19-35(5)25-12-11-24-21(16-22(25)14-15-34(30,35)4)10-13-29(37(6)7)33(24,2)3/h14,16-18,20,24-25,28-30,38H,10-13,15,19,36H2,1-9H3/t20-,24-,25+,28+,29-,30-,34+,35-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O,C35H52N2O5,pos_2_2proton,580.387622764,HGEURJWODKLRBG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15379,2833,271,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.20072536,ISDB,CTGMCYNSUYQXFH-FVOPLDGLSA-N,"InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-13(17)23-12(15(19)20)8-14(18)22-2/h3-7,12,16H,8H2,1-2H3,(H,19,20)/b6-4+/t12-/m1/s1",COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)O,C15H16O8,,324.084517472,CTGMCYNSUYQXFH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,3,6.302901446819305 15380,2832,-1,,,,0.6157425,ISDB,OVEAWSPZRGBTSS-UHFFFAOYSA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,6.462970018386841 15381,2832,-1,,,,0.6157425,ISDB,OVEAWSPZRGBTSS-NSHDSACASA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1",O=C(O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,6.462970018386841 15382,2830,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.37890556,ISDB,ZKTIVYXHMCZVOI-FUZVIZNDSA-N,"InChI=1S/C40H52O4/c1-28(16-12-17-29(2)21-23-40-38(7,8)26-33(41)27-39(40,9)44-40)14-10-11-15-30(3)24-34-25-32(36(42)43-34)19-20-35-31(4)18-13-22-37(35,5)6/h10-18,21-25,33,35,41H,19-20,26-27H2,1-9H3/b11-10+,16-12+,23-21+,28-14+,29-17+,30-15+,34-24-/t33-,35-,39+,40-/m0/s1",CC1=CC=CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O,C40H52O4,,596.386560144,ZKTIVYXHMCZVOI,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Mantoniella squamata,696465.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Mamiellophyceae'],['Mamiellales'],['Mamiellaceae'],['Unknown'],['Mantoniella'],['Mantoniella squamata'],2,0,3.5156222581863403 15383,2830,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.37890556,ISDB,ZKTIVYXHMCZVOI-FUZVIZNDSA-N,"InChI=1S/C40H52O4/c1-28(16-12-17-29(2)21-23-40-38(7,8)26-33(41)27-39(40,9)44-40)14-10-11-15-30(3)24-34-25-32(36(42)43-34)19-20-35-31(4)18-13-22-37(35,5)6/h10-18,21-25,33,35,41H,19-20,26-27H2,1-9H3/b11-10+,16-12+,23-21+,28-14+,29-17+,30-15+,34-24-/t33-,35-,39+,40-/m0/s1",CC1=CC=CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O,C40H52O4,,596.386560144,ZKTIVYXHMCZVOI,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-ε)",Micromonas pusilla,216381.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Mamiellophyceae'],['Mamiellales'],['Mamiellaceae'],['Unknown'],['Micromonas'],['Micromonas pusilla'],2,0,3.5156222581863403 15384,2829,-1,,,,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton2acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 15385,2829,-1,,,,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton2acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 15386,2829,-1,,,,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton2acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 15387,2828,944,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CILYFPDQSVZRMZ-OMZCVMJRSA-N,"InChI=1S/C20H32O5/c1-13(14(22)12-21)6-7-16-18(2)9-5-10-19(3,17(23)24)15(18)8-11-20(16,4)25/h15-16,21,25H,1,5-12H2,2-4H3,(H,23,24)/t15-,16-,18+,19+,20-/m1/s1",C=C(CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2CC[C@@]1(C)O)C(=O)CO,C20H32O5,pos_2MFe,352.2249741239999,CILYFPDQSVZRMZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Juniperus thurifera,340326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus thurifera'],6,0,6.0 15388,2827,-1,,,,0.0,MS1_match,LCTOQECBRZFOCD-MXWZVQRBSA-N,"InChI=1S/C27H32O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-6,9,15-16,19-23,25-31,33-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@H](O)[C@H]1O,C27H32O14,pos_2_2sodium,580.179205704,LCTOQECBRZFOCD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 15389,2825,1725,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-AXWIHUDSSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.084911396,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15390,2825,1725,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BDCDNTVZSILEOY-AXWIHUDSSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1sodium,434.084911396,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15391,2824,-1,,,,0.0,MS1_match,DRLPXFRWJUZTMG-HDGJIVNHSA-N,"InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3/t16-,17+,22+,23+,24-,25+,26+/m1/s1",COc1cc(C[C@@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C26H36O11,pos_1_1sodium,524.2257619719998,DRLPXFRWJUZTMG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15392,2824,-1,,,,0.0,MS1_match,DRLPXFRWJUZTMG-HDGJIVNHSA-N,"InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3/t16-,17+,22+,23+,24-,25+,26+/m1/s1",COc1cc(C[C@@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C26H36O11,pos_1_1sodium,524.2257619719998,DRLPXFRWJUZTMG,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15393,2824,-1,,,,0.0,MS1_match,BAVLMBOWTIUCML-UOMFZXEISA-N,"InChI=1S/C26H36O11/c1-14-22(29)24(31)25(32)26(36-14)35-13-21(23(30)16-7-8-17(28)19(12-16)33-2)37-18-9-6-15(5-4-10-27)11-20(18)34-3/h6-9,11-12,14,21-32H,4-5,10,13H2,1-3H3/t14-,21-,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)Oc2ccc(CCCO)cc2OC)ccc1O,C26H36O11,pos_1_1sodium,524.225761972,BAVLMBOWTIUCML,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15394,2824,-1,,,,0.0,MS1_match,BFTMSSAJWZRYLC-TYBIPXHESA-N,"InChI=1S/C26H36O11/c1-34-20-11-14(3-5-18(20)29)16(7-9-27)17(15-4-6-19(30)21(12-15)35-2)8-10-36-26-25(33)24(32)23(31)22(13-28)37-26/h3-6,11-12,16-17,22-33H,7-10,13H2,1-2H3/t16-,17+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H](CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CCO)c2ccc(O)c(OC)c2)ccc1O,C26H36O11,pos_1_1sodium,524.225761972,BFTMSSAJWZRYLC,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15395,2823,-1,,,,0.0,MS1_match,CZEPBGSMIRTHKN-KKSFZXQISA-N,"InChI=1S/C21H30O3/c1-12(2)13-10-14-15(22)11-16-20(3,4)8-7-9-21(16,5)17(14)18(23)19(13)24-6/h10,12,16,23H,7-9,11H2,1-6H3/t16-,21-/m0/s1",COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O,C21H30O3,pos_1_minus1proton1iron,330.21949482,CZEPBGSMIRTHKN,Terpenoids,Diterpenoids,Abietane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 15396,2823,-1,,,,0.0,MS1_match,XFBAWFCNSXQJPU-GFOJFJKKSA-N,"InChI=1S/C21H30O3/c1-6-19(2)11-8-15-14(13-19)16(22)12-17-20(15,3)9-7-10-21(17,4)18(23)24-5/h6,17H,1,7-13H2,2-5H3/t17-,19+,20-,21-/m1/s1",C=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@](C)(C(=O)OC)CCC[C@]21C,C21H30O3,pos_1_minus1proton1iron,330.21949482,XFBAWFCNSXQJPU,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 15397,2817,-1,,,,0.6379397,ISDB,ATGBDIJBTXFUFY-UHFFFAOYSA-N,"InChI=1S/C22H18O4/c1-11-7-13-3-5-15(21(25)19(13)17(23)9-11)16-6-4-14-8-12(2)10-18(24)20(14)22(16)26/h3-10,23-26H,1-2H3",Cc1cc(O)c2c(O)c(-c3ccc4cc(C)cc(O)c4c3O)ccc2c1,C22H18O4,,346.12050905599995,ATGBDIJBTXFUFY,Polyketides,Naphthalenes,Bisnaphthalenes,Diospyros mollis,164680.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros mollis'],3,0,5.551758766174316 15398,2816,-1,,,,0.0,MS1_match,DKOVFEOUMNYYQW-SMYHHOMKSA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(34-12)33-11-16-15-8-13(4-3-7-26)9-18(28)24(15)35-23(16)14-5-6-17(27)19(10-14)32-2/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,DKOVFEOUMNYYQW,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15399,2816,-1,,,,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1sodium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15400,2816,-1,,,,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1sodium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15401,2816,-1,,,,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1sodium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 15402,2816,-1,,,,0.0,MS1_match,HLTAJPBMZNNKMA-IODYJKNMSA-N,"InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3/t14-,16+,21+,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@@H]2CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1sodium,492.199547224,HLTAJPBMZNNKMA,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15403,2814,-1,,,,0.2837935,ISDB,KTPOZFYJWLGJGH-COMQUAJESA-N,"InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12+,13-,15+/m1/s1",CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C,C15H22O,,218.167065324,KTPOZFYJWLGJGH,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,7.135174036026001 15404,2813,-1,,,,0.505572,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,8.022288084030151 15405,2812,-1,,,,0.0,MS1_match,TXLQONQJSWSJJX-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,TXLQONQJSWSJJX,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15406,2812,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15407,2812,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15408,2812,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15409,2812,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15410,2811,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,2,10.0 15411,2807,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5878821,ISDB,LSXMHNJGHRDFGB-MUGBGTHKSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,10-12,16H,4-5H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1",CC1=C[C@@H](O)[C@@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13,C15H18O4,,262.120509056,LSXMHNJGHRDFGB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Meeboldia yunnanensis,417161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Meeboldia'],['Meeboldia yunnanensis'],3,3,6.8515284061431885 15412,2806,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.22954415,ISDB,LYKZQZBBOGVEJA-JTQLQIEISA-N,"InChI=1S/C15H16O3/c1-9-4-5-12(8-14(9)16)10(2)6-13-7-11(3)15(17)18-13/h4-8,10,16H,1-3H3/t10-/m0/s1",CC1=CC(=C[C@H](C)c2ccc(C)c(O)c2)OC1=O,C15H16O3,,244.109944372,LYKZQZBBOGVEJA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,1,7.418176591396332 15413,2805,850,Alkaloids,Peptide alkaloids,,0.71075726,ISDB,GXNDDRVCUBWYBN-BQBZGAKWSA-N,"InChI=1S/C9H14N2O3/c1-5-9(13)11(3)7(6(2)14-4)8(12)10-5/h6-7H,1H2,2-4H3,(H,10,12)/t6-,7-/m0/s1",C=C1NC(=O)[C@H]([C@H](C)OC)N(C)C1=O,C9H14N2O3,,198.100442308,GXNDDRVCUBWYBN,Alkaloids,Peptide alkaloids,,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,2,3.843029022216797 15414,2804,148,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,PBPNOAHYDPHKFH-UHFFFAOYSA-N,"InChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3",COc1cc2oc(=O)ccc2c(OC)c1O,C11H10O5,pos_1_1proton,222.05282342,PBPNOAHYDPHKFH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 15415,2802,-1,,,,0.0,MS1_match,UYPSXHPIOUWLTC-XHWDKJLTSA-N,"InChI=1S/C36H54N2O6/c1-21(38(5)6)29-25(44-31(40)22-15-23(41-7)30(39)24(16-22)42-8)17-34(4)27-10-9-26-32(2)19-43-20-37-28(32)11-12-35(26)18-36(27,35)14-13-33(29,34)3/h15-16,21,25-29,37,39H,9-14,17-20H2,1-8H3/t21-,25+,26-,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)COCN[C@H]6CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]2[C@H](C)N(C)C)cc(OC)c1O,C36H54N2O6,pos_2_2proton,610.3981874479999,UYPSXHPIOUWLTC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 15416,2801,-1,,,,0.51095515,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusus,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.04382061958313 15417,2801,-1,,,,0.51095515,ISDB,CFYZWMOGIXBXRL-NKFVHPGGSA-N,"InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1",C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O,C25H37NO3,,399.277344044,CFYZWMOGIXBXRL,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Trichobotrys effusa,4059637.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Unknown'],['Unknown'],['Trichobotrys'],['Trichobotrys effusa'],1,0,3.04382061958313 15418,2800,-1,,,,0.0,MS1_match,JOIDTHZGWZZGMU-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H22O8,pos_1_1sodium,342.131467664,JOIDTHZGWZZGMU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15419,2800,-1,,,,0.0,MS1_match,CXRRKRKGZOVKBR-GLIXSRQJSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2,4-7,12-21H,3,8H2,1H3/b6-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(C/C=C/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H22O8,pos_1_1sodium,342.131467664,CXRRKRKGZOVKBR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15420,2799,931,Terpenoids,Sesquiterpenoids,Aminosugars,0.29564184,ISDB,XFACIJUJGNMSOZ-KIQJQBDGSA-N,"InChI=1S/C31H42O13/c1-15(28(39)41-3)19-10-11-31(2)22(44-29(40)20(34)12-16-4-7-18(33)8-5-16)9-6-17(23(31)24(19)35)14-42-30-27(38)26(37)25(36)21(13-32)43-30/h4-8,19-27,30,32-38H,1,9-14H2,2-3H3/t19-,20+,21+,22+,23+,24-,25+,26-,27+,30+,31-/m0/s1",C=C(C(=O)OC)[C@@H]1CC[C@]2(C)[C@H](C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC[C@H]2OC(=O)[C@H](O)Cc2ccc(O)cc2)[C@H]1O,C31H42O13,,622.262541404,XFACIJUJGNMSOZ,Terpenoids,Sesquiterpenoids,,Ixeris repens,16894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeris'],['Ixeris repens'],3,2,5.182567358016968 15421,2798,-1,,,,0.0,MS1_match,IVWNIIWOWTWWKH-UHFFFAOYSA-N,"InChI=1S/C18H11NO5/c1-22-17-10(20)3-2-9-13(17)14-12-8(4-5-19-15(12)16(9)21)6-11-18(14)24-7-23-11/h2-6,20H,7H2,1H3",COc1c(O)ccc2c1-c1c3c(cc4ccnc(c14)C2=O)OCO3,C18H11NO5,pos_1_1proton,321.063722452,IVWNIIWOWTWWKH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera chunii,265282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera chunii'],6,0,6.0 15422,2794,1592,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5552638,ISDB,ZKQCFKWMWXFCIU-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(28-6)21-14-16-27(5)23-11-10-22-19(17-20(23)13-15-26(21,27)4)9-12-24(29(7)8)25(22,2)3/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2,,398.366099472,ZKQCFKWMWXFCIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.721055269241333 15423,2793,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 15424,2793,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15425,2793,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 15426,2792,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.72375464,ISDB,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Pseudotsuga menziesii var. menziesii,994179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,3,11.395018577575684 15427,2792,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.72375464,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,3,11.395018577575684 15428,2789,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NMGVHLDIHNFGQB-OTCPXFHUSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1sodium,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 15429,2789,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NMGVHLDIHNFGQB-UHFFFAOYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1sodium,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,8.5 15430,2789,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NMGVHLDIHNFGQB-UHFFFAOYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,pos_1_1sodium,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 15431,2788,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.773762,ISDB,NMGVHLDIHNFGQB-UHFFFAOYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,11.595047950744629 15432,2788,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.773762,ISDB,NMGVHLDIHNFGQB-UHFFFAOYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3",COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,11.595047950744629 15433,2788,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.773762,ISDB,NMGVHLDIHNFGQB-OTCPXFHUSA-N,"InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C34H42O20,,770.226943744,NMGVHLDIHNFGQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,11.595047950744629 15434,2787,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.6975557,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.290222883224487 15435,2784,238,Shikimates and Phenylpropanoids,Coumarins,Naphthalenes and derivatives,0.6323134,ISDB,WLZPYTDCBHITRF-UHFFFAOYSA-N,"InChI=1S/C11H10O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3",COc1cccc2c(O)cccc12,C11H10O2,,174.06807956,WLZPYTDCBHITRF,Polyketides,Naphthalenes,Naphthalenes and derivatives,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],5,3,9.029253482818604 15436,2783,-1,,,,0.7011922,ISDB,UYPSXHPIOUWLTC-XHWDKJLTSA-N,"InChI=1S/C36H54N2O6/c1-21(38(5)6)29-25(44-31(40)22-15-23(41-7)30(39)24(16-22)42-8)17-34(4)27-10-9-26-32(2)19-43-20-37-28(32)11-12-35(26)18-36(27,35)14-13-33(29,34)3/h15-16,21,25-29,37,39H,9-14,17-20H2,1-8H3/t21-,25+,26-,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1",COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)COCN[C@H]6CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]2[C@H](C)N(C)C)cc(OC)c1O,C36H54N2O6,,610.3981874479999,UYPSXHPIOUWLTC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,9.804768800735474 15437,2782,242,Terpenoids,Apocarotenoids,Megastigmanes,0.37210542,ISDB,CHEIWKRTMHHGDF-DYMAYKCJSA-N,"InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,11,14-18,20,22-24H,7-9H2,1-4H3/t11-,14-,15-,16+,17-,18-/m1/s1",CC1=C(C=C[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CC(=O)C1,C19H30O7,,370.1991533,CHEIWKRTMHHGDF,Terpenoids,Apocarotenoids,Megastigmanes,Isodon sculponeatus,1017584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon sculponeatus'],4,3,6.988421678543091 15438,2781,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.46458015,ISDB,RJLAJQDKXWWUNG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13(12)14/h4-5,10,13-14H,6-7H2,1-3H3",Cc1ccc(C)c2c1CCC(C)C2O,C13H18O,,190.135765196,RJLAJQDKXWWUNG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.358320593833923 15439,2779,-1,,,,0.7704839,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],4,0,7.08193564414978 15440,2775,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,UCQFMBXHEZNBGP-DYMVLVEASA-N,"InChI=1S/C47H72O19/c1-20-9-14-47(16-15-44(4)22(23(47)17-20)7-8-26-43(3)12-11-28(49)46(6,41(58)59)27(43)10-13-45(26,44)5)42(60)66-40-35(56)32(53)30(51)25(64-40)19-61-38-36(57)33(54)37(24(18-48)63-38)65-39-34(55)31(52)29(50)21(2)62-39/h7,21,23-40,48-57H,1,8-19H2,2-6H3,(H,58,59)/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,39-,40-,43+,44+,45+,46-,47-/m0/s1",C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C47H72O19,pos_2_2sodium,940.466780084,UCQFMBXHEZNBGP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Eleutherococcus japonicus,5429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus japonicus'],7,0,7.0 15441,2774,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 15442,2774,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 15443,2773,1893,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,QCCCZTBAYDERBM-NLPUGBIRSA-N,"InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-36(56)11-5-17(46)27(51)31-22(11)23-12(38(58)64-30)6-19(47)41(61,68-31)40(23,59)60/h1-6,18,23,30,32-33,35,39,42-46,48-53,55,59-61H,7H2/t18-,23?,30-,32-,33+,35?,39+,41?/m1/s1",O=C1O[C@H]2[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O4)C3(O)O)[C@@H]1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(O)OC[C@H]2O1,C41H30O27,pos_1_1proton1ammonium,954.0974457,QCCCZTBAYDERBM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Carpinus laxiflora,731667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Carpinus'],['Carpinus laxiflora'],6,3,7.5 15444,2771,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XMZFIBDTPOUHMW-UHFFFAOYSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3",C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(O)C12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145173999999,XMZFIBDTPOUHMW,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15445,2771,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,OHBWHOURHPCGFY-IMJFYWAGSA-N,"InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1",C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C,C33H45NO8,pos_1_1proton,583.3145174,OHBWHOURHPCGFY,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15446,2771,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,XUOMQASZGNRVGJ-VJRXAMHISA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,XUOMQASZGNRVGJ,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15447,2771,22,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BTASCTDNNBFHIV-KYXMVTMQSA-N,"InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)25(38-19(3)32)24(35)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12-/t17-,22+,24+,25+,26-,28+,29-,30-,31-/m1/s1",C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](O)[C@@]132)C4(C)C,C31H38O8,pos_1_1proton1ethylamine,538.256668176,BTASCTDNNBFHIV,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15448,2769,-1,,,,0.5944097,ISDB,HOPSETDNZAGIKW-UHFFFAOYSA-N,"InChI=1S/C23H42N2/c1-15(24-4)19-8-9-20-18-7-6-16-14-17(25-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h15-21,24-25H,6-14H2,1-5H3",CNC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)NC)CCC32)C1,C23H42N2,,346.334799344,HOPSETDNZAGIKW,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,8.377638816833496 15449,2765,2027,,,,0.59409666,ISDB,,,,,,,FPKFCGUTDZQBEB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3763866424560547 15450,2764,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,NBDNEUOVIJYCGZ-CYBMUJFWSA-N,"InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1",COc1c(O)cc2c3c1-c1ccccc1C[C@H]3NCC2,C17H17NO2,pos_1_1proton,267.125928784,NBDNEUOVIJYCGZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Magnolia wieseneri,5478731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia wieseneri'],7,3,8.5 15451,2764,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,NBDNEUOVIJYCGZ-CYBMUJFWSA-N,"InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1",COc1c(O)cc2c3c1-c1ccccc1C[C@H]3NCC2,C17H17NO2,pos_1_1proton,267.125928784,NBDNEUOVIJYCGZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 15452,2764,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,NBDNEUOVIJYCGZ-ZDUSSCGKSA-N,"InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m0/s1",COc1c(O)cc2c3c1-c1ccccc1C[C@@H]3NCC2,C17H17NO2,pos_1_1proton,267.125928784,NBDNEUOVIJYCGZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],7,3,8.5 15453,2764,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,NBDNEUOVIJYCGZ-CYBMUJFWSA-N,"InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1",COc1c(O)cc2c3c1-c1ccccc1C[C@H]3NCC2,C17H17NO2,pos_1_1proton,267.125928784,NBDNEUOVIJYCGZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 15454,2764,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,NBDNEUOVIJYCGZ-CYBMUJFWSA-N,"InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1",COc1c(O)cc2c3c1-c1ccccc1C[C@H]3NCC2,C17H17NO2,pos_1_1proton,267.125928784,NBDNEUOVIJYCGZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Magnolia soulangeana,3867233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia x soulangeana'],7,3,8.5 15455,2763,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6129296,ISDB,MDPUNMGRMZRRAD-LBPRGKRZSA-N,"InChI=1S/C12H14N2O4/c1-14-10(15)12(18-3,13-11(14)16)8-4-6-9(17-2)7-5-8/h4-7H,1-3H3,(H,13,16)/t12-/m0/s1",COc1ccc([C@@]2(OC)NC(=O)N(C)C2=O)cc1,C12H14N2O4,,250.095356928,MDPUNMGRMZRRAD,Alkaloids,Anthranilic acid alkaloids,,Polycarpa aurata,1096512.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Polycarpa'],['Polycarpa aurata'],1,1,3.951718330383301 15456,2763,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6129296,ISDB,MDPUNMGRMZRRAD-LBPRGKRZSA-N,"InChI=1S/C12H14N2O4/c1-14-10(15)12(18-3,13-11(14)16)8-4-6-9(17-2)7-5-8/h4-7H,1-3H3,(H,13,16)/t12-/m0/s1",COc1ccc([C@@]2(OC)NC(=O)N(C)C2=O)cc1,C12H14N2O4,,250.095356928,MDPUNMGRMZRRAD,Alkaloids,Anthranilic acid alkaloids,,Polycarpa clavata,3646475.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Polycarpa'],['Polycarpa clavata'],1,1,3.951718330383301 15457,2762,-1,,,,0.2550566,ISDB,,,,,,,OQQHYQQJHDMMKP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0202263593673706 15458,2761,1386,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.7117667,ISDB,DZBDDACPJRFJGO-NXBFSHDWSA-N,"InChI=1S/C19H34N2O2/c1-13-9-14(11-16-5-3-4-8-21(16)2)17-7-6-15(12-19(22)23)20-18(17)10-13/h13-18,20H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,17+,18-/m1/s1",C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CC[C@@H](CC(=O)O)N[C@@H]2C1,C19H34N2O2,,322.262028328,DZBDDACPJRFJGO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lycopodiella cernua,429356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Palhinhaea'],['Palhinhaea cernua'],3,3,7.347066879272461 15459,2758,1592,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5700005,ISDB,IPKKOHWMHMKNLP-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(27-6)20-13-15-26(5)22-10-9-21-18(8-11-23(28-7)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23,27-28H,8-11,13-15H2,1-7H3",CNC(C)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(NC)C4(C)C,C26H44N2,,384.350449408,IPKKOHWMHMKNLP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.780002117156982 15460,2756,1825,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.5180645,ISDB,SITNBMVOMZOXOP-UHFFFAOYSA-N,"InChI=1S/C13H12O4/c1-7-5-8-3-4-10(15)9(6-14)11(8)12(16)13(7)17-2/h3-6,15-16H,1-2H3",COc1c(C)cc2ccc(O)c(C=O)c2c1O,C13H12O4,,232.073558864,SITNBMVOMZOXOP,Polyketides,Naphthalenes,Naphthalenes and derivatives,Hibiscus taiwanensis,6117615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus taiwanensis'],3,3,6.572257995605469 15461,2755,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15462,2755,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15463,2755,-1,,,,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15464,2754,882,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.7262194,ISDB,XWPFSIAQJJWHLN-IERDGZPVSA-N,"InChI=1S/C23H24O6/c1-12(2)5-6-13-7-15-21-16(10-26-22(15)23(25-4)20(13)24-3)14-8-18-19(28-11-27-18)9-17(14)29-21/h5,7-9,16,21H,6,10-11H2,1-4H3/t16-,21+/m1/s1",COc1c(CC=C(C)C)cc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4,C23H24O6,,396.157288488,XWPFSIAQJJWHLN,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia mitis,324035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia mitis'],4,3,8.404877662658691 15465,2754,882,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.7262194,ISDB,XWPFSIAQJJWHLN-IERDGZPVSA-N,"InChI=1S/C23H24O6/c1-12(2)5-6-13-7-15-21-16(10-26-22(15)23(25-4)20(13)24-3)14-8-18-19(28-11-27-18)9-17(14)29-21/h5,7-9,16,21H,6,10-11H2,1-4H3/t16-,21+/m1/s1",COc1c(CC=C(C)C)cc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4,C23H24O6,,396.157288488,XWPFSIAQJJWHLN,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia amboensis,3922100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia amboensis'],4,3,8.404877662658691 15466,2752,-1,,,,0.32637402,ISDB,IMLYVWIWEAZRNK-ZALOCXOGSA-N,"InChI=1S/C26H30O8/c1-13(2)17(27)9-6-14(3)5-8-16-19(29)12-21-22(23(16)30)24(31)25(32)26(34-21)15-7-10-18(28)20(11-15)33-4/h5,7,10-12,17,25-30,32H,1,6,8-9H2,2-4H3/b14-5+/t17-,25-,26+/m0/s1",C=C(C)[C@@H](O)CC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)c(OC)c1)O2,C26H30O8,,470.19406792,IMLYVWIWEAZRNK,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Paulownia tomentosa,305916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Paulowniaceae'],['Unknown'],['Paulownia'],['Paulownia tomentosa'],3,0,4.305496096611023 15467,2751,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,HLTAJPBMZNNKMA-IODYJKNMSA-N,"InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3/t14-,16+,21+,22-,23+,24-,25-/m1/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@@H]2CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,HLTAJPBMZNNKMA,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 15468,2749,-1,,,,0.44682345,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,0,5.787293791770935 15469,2748,-1,,,,0.8439349,ISDB,LCAZZISCNMBVKG-LBPRGKRZSA-N,"InChI=1S/C17H17NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3/t12-/m0/s1",COc1cc2c3c(c1O)C1(C=CC(=O)C=C1)C[C@@H]3NCC2,C17H17NO3,,283.120843404,LCAZZISCNMBVKG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,9.375739574432373 15470,2748,-1,,,,0.8439349,ISDB,LCAZZISCNMBVKG-UHFFFAOYSA-N,"InChI=1S/C17H17NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3",COc1cc2c3c(c1O)C1(C=CC(=O)C=C1)CC3NCC2,C17H17NO3,,283.120843404,LCAZZISCNMBVKG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,0,9.375739574432373 15471,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 15472,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 15473,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 15474,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 15475,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-UHFFFAOYSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C25H32O11,pos_1_1sodium,508.194461844,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 15476,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 15477,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 15478,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 15479,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 15480,2742,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-UHFFFAOYSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C25H32O11,pos_1_1sodium,508.194461844,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 15481,2740,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3070269,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,9.728107571601868 15482,2740,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3070269,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,9.728107571601868 15483,2740,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3070269,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,9.728107571601868 15484,2740,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3070269,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,9.728107571601868 15485,2739,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.5664684,ISDB,LSHVYAFMTMFKBA-TZIWHRDSSA-N,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O10,,442.0899967759999,LSHVYAFMTMFKBA,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,3,10.765873670578003 15486,2737,-1,,,,0.0,MS1_match,KJIWCKSQHHNTTL-QZYWKIOKSA-N,"InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-12-5-11(24)6-13-15(12)19(28)21(29,32-13)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2/t14-,16-,17+,18-,20-,21?/m0/s1",O=C1c2c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)cc2OC1(O)Cc1ccc(O)cc1,C21H22O11,pos_1_1proton,450.116211524,KJIWCKSQHHNTTL,Shikimates and Phenylpropanoids,Flavonoids,Aurones,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 15487,2735,759,Alkaloids,Ornithine alkaloids,Polyamines,0.6559838,ISDB,SFMLRCDOOPCKCM-VOMDNODZSA-N,"InChI=1S/C25H31N3O4/c26-16-1-2-18-28(25(32)15-9-21-6-12-23(30)13-7-21)19-3-17-27-24(31)14-8-20-4-10-22(29)11-5-20/h4-15,29-30H,1-3,16-19,26H2,(H,27,31)/b14-8+,15-9+",NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C25H31N3O4,,437.231456472,SFMLRCDOOPCKCM,Alkaloids,Ornithine alkaloids,Polyamines,Pterocarya fraxinifolia,101820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Pterocarya'],['Pterocarya fraxinifolia'],5,3,9.123935222625732 15488,2733,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 15489,2733,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 15490,2732,-1,,,,0.7092331,ISDB,PLKVWYPBRRRIQG-QGSMACLHSA-N,"InChI=1S/C27H48N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C27H48N2,,400.381749536,PLKVWYPBRRRIQG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.83693242073059 15491,2731,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RXSFCOUBKQSZFV-QGSMACLHSA-N,"InChI=1S/C27H48N2/c1-18(28-6)19-11-13-25(5)21-10-9-20-23(2,3)22(29(7)8)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C27H48N2,pos_2_2proton,400.381749536,RXSFCOUBKQSZFV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15492,2731,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PLKVWYPBRRRIQG-QGSMACLHSA-N,"InChI=1S/C27H48N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C27H48N2,pos_2_2proton,400.381749536,PLKVWYPBRRRIQG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15493,2730,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ZCEVRGUYZFNGJD-WUPCDRHTSA-N,"InChI=1S/C34H56O6/c1-29(2)23-13-18-33(7)24(31(23,5)16-14-25(29)39-28(36)20-27(35)38-9)11-10-21-22(12-17-32(21,33)6)34(8)19-15-26(40-34)30(3,4)37/h21-26,37H,10-20H2,1-9H3/t21-,22+,23+,24-,25-,26-,31+,32-,33-,34+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C34H56O6,pos_2_1proton1sodium,560.4076895119999,ZCEVRGUYZFNGJD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 15494,2730,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ZCEVRGUYZFNGJD-UHFFFAOYSA-N,"InChI=1S/C34H56O6/c1-29(2)23-13-18-33(7)24(31(23,5)16-14-25(29)39-28(36)20-27(35)38-9)11-10-21-22(12-17-32(21,33)6)34(8)19-15-26(40-34)30(3,4)37/h21-26,37H,10-20H2,1-9H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C,C34H56O6,pos_2_1proton1sodium,560.407689512,ZCEVRGUYZFNGJD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 15495,2730,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ZCEVRGUYZFNGJD-WUPCDRHTSA-N,"InChI=1S/C34H56O6/c1-29(2)23-13-18-33(7)24(31(23,5)16-14-25(29)39-28(36)20-27(35)38-9)11-10-21-22(12-17-32(21,33)6)34(8)19-15-26(40-34)30(3,4)37/h21-26,37H,10-20H2,1-9H3/t21-,22+,23+,24-,25-,26-,31+,32-,33-,34+/m1/s1",COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C34H56O6,pos_2_1proton1sodium,560.4076895119999,ZCEVRGUYZFNGJD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 15496,2730,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,ZCEVRGUYZFNGJD-UHFFFAOYSA-N,"InChI=1S/C34H56O6/c1-29(2)23-13-18-33(7)24(31(23,5)16-14-25(29)39-28(36)20-27(35)38-9)11-10-21-22(12-17-32(21,33)6)34(8)19-15-26(40-34)30(3,4)37/h21-26,37H,10-20H2,1-9H3",COC(=O)CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C(C4(C)CCC(C(C)(C)O)O4)CCC23C)C1(C)C,C34H56O6,pos_2_1proton1sodium,560.407689512,ZCEVRGUYZFNGJD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 15497,2730,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MRCMHQPBXBYCBW-KOUBWJFZSA-N,"InChI=1S/C34H56O6/c1-20(35)38-23-19-25-31(7)15-13-26(39-21(2)36)29(3,4)24(31)12-17-32(25,8)33(9)16-11-22(28(23)33)34(10)18-14-27(40-34)30(5,6)37/h22-28,37H,11-19H2,1-10H3/t22-,23+,24-,25+,26+,27+,28-,31-,32+,33+,34-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C34H56O6,pos_2_1proton1sodium,560.4076895119999,MRCMHQPBXBYCBW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 15498,2730,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MRCMHQPBXBYCBW-UHFFFAOYSA-N,"InChI=1S/C34H56O6/c1-20(35)38-23-19-25-31(7)15-13-26(39-21(2)36)29(3,4)24(31)12-17-32(25,8)33(9)16-11-22(28(23)33)34(10)18-14-27(40-34)30(5,6)37/h22-28,37H,11-19H2,1-10H3",CC(=O)OC1CC2C3(C)CCC(OC(C)=O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C34H56O6,pos_2_1proton1sodium,560.407689512,MRCMHQPBXBYCBW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 15499,2730,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MRCMHQPBXBYCBW-KOUBWJFZSA-N,"InChI=1S/C34H56O6/c1-20(35)38-23-19-25-31(7)15-13-26(39-21(2)36)29(3,4)24(31)12-17-32(25,8)33(9)16-11-22(28(23)33)34(10)18-14-27(40-34)30(5,6)37/h22-28,37H,11-19H2,1-10H3/t22-,23+,24-,25+,26+,27+,28-,31-,32+,33+,34-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12,C34H56O6,pos_2_1proton1sodium,560.4076895119999,MRCMHQPBXBYCBW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 15500,2730,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,MRCMHQPBXBYCBW-UHFFFAOYSA-N,"InChI=1S/C34H56O6/c1-20(35)38-23-19-25-31(7)15-13-26(39-21(2)36)29(3,4)24(31)12-17-32(25,8)33(9)16-11-22(28(23)33)34(10)18-14-27(40-34)30(5,6)37/h22-28,37H,11-19H2,1-10H3",CC(=O)OC1CC2C3(C)CCC(OC(C)=O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(C(C)(C)O)O3)C12,C34H56O6,pos_2_1proton1sodium,560.407689512,MRCMHQPBXBYCBW,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 15501,2729,965,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,JFCQEDHGNNZCLN-UHFFFAOYSA-N,"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",O=C(O)CCCC(=O)O,C5H8O4,pos_2MHCH3CN,132.042258736,JFCQEDHGNNZCLN,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,3,7.5 15502,2728,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ammonium,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15503,2728,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,AMPCLLDDRISXEH-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3",C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C,C31H38O7,pos_1_1proton1ammonium,522.2617535559999,AMPCLLDDRISXEH,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 15504,2726,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-ZEQRLZLVSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24-/m0/s1",Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus prinoides,549751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus prinoides'],7,3,8.5 15505,2726,529,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.0,MS1_match,UUXPVUHOWQPCSC-PSWAGMNNSA-N,"InChI=1S/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3/t23-,24+",Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cc(O)cc(O)c1C2=O,C30H22O8,pos_2_2proton,510.1314676639999,UUXPVUHOWQPCSC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Rhamnus nepalensis,6109511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nepalensis'],7,3,8.5 15506,2725,40,Terpenoids,Diterpenoids,Taxane diterpenoids,0.6374134,ISDB,ONNIMFBTDSHYJD-SZNYQVOFSA-N,"InChI=1S/C33H45NO9/c1-17-23(42-18(2)35)14-21-22(36)13-20-16-33(5,30(40)28(38)26(17)32(21,3)4)25(37)15-24(20)43-31(41)29(39)27(34(6)7)19-11-9-8-10-12-19/h8-13,21-25,27-29,36-39H,14-16H2,1-7H3/b20-13+/t21-,22-,23-,24-,25-,27-,28+,29+,33-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H](O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C,C33H45NO9,,599.3094320199999,ONNIMFBTDSHYJD,Terpenoids,Diterpenoids,Taxane diterpenoids,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,11.04965353012085 15507,2723,-1,,,,0.0,MS1_match,GGYRCIQGXDJUPI-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(31)14-26(4)21-9-8-20-24(2)16-32-17-30(7)22(24)10-11-27(20)15-28(21,27)13-12-25(23,26)3/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,GGYRCIQGXDJUPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15508,2723,-1,,,,0.0,MS1_match,QOBZCZYZWSKHNJ-BAFQVELBSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)25-23(32)16-28(4)22-11-10-21-19(15-20(22)13-14-27(25,28)3)9-12-24(30(7)8)26(21,2)17-31/h13,15,18,21-25,31-32H,9-12,14,16-17H2,1-8H3/t18-,21+,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@]4(C)CO)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,QOBZCZYZWSKHNJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15509,2723,-1,,,,0.0,MS1_match,NHTXVOKRJSZBJV-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(32)15-26(4)21-10-9-20-24(2,17-31)22(30(7)8)11-12-27(20)16-28(21,27)14-13-25(23,26)3/h9-10,18-23,31-32H,11-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,NHTXVOKRJSZBJV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15510,2723,-1,,,,0.0,MS1_match,PKXJWGJRRLLOMM-LCQYJTQBSA-N,"InChI=1S/C27H44N2O/c1-17(29-18(2)30)21-13-15-27(6)23-10-9-22-19(8-11-24(28-7)25(22,3)4)16-20(23)12-14-26(21,27)5/h12,16-17,21-24,28H,8-11,13-15H2,1-7H3,(H,29,30)/t17-,21+,22-,23+,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)NC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@H]2C1(C)C,C27H44N2O,pos_1_1proton1methanol,412.345364028,PKXJWGJRRLLOMM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15511,2723,-1,,,,0.0,MS1_match,DLPHGNHSDIDDPI-KBVVDYDXSA-N,"InChI=1S/C27H44N2O/c1-17-24-22(30-16-29(17)7)15-27(5)21-10-9-20-18(8-11-23(28-6)25(20,2)3)14-19(21)12-13-26(24,27)4/h12,14,17,20-24,28H,8-11,13,15-16H2,1-7H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]5[C@@H](C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)OCN(C)[C@H]5C,C27H44N2O,pos_1_1proton1methanol,412.345364028,DLPHGNHSDIDDPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15512,2723,-1,,,,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ethylamine,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15513,2723,-1,,,,0.0,MS1_match,WQJGXMIIUOPURY-OROJKWBISA-N,"InChI=1S/C27H44N2O/c1-18(29(5)6)21-12-14-27(4)23-9-8-22-19(15-20(23)11-13-26(21,27)3)7-10-24-25(22,2)16-30-17-28-24/h11,15,18,21-24,28H,7-10,12-14,16-17H2,1-6H3/t18-,21+,22+,23+,24-,25-,26+,27-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@]14C)N(C)C,C27H44N2O,pos_1_1proton1methanol,412.345364028,WQJGXMIIUOPURY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15514,2722,-1,,,,0.0,MS1_match,NHTXVOKRJSZBJV-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(32)15-26(4)21-10-9-20-24(2,17-31)22(30(7)8)11-12-27(20)16-28(21,27)14-13-25(23,26)3/h9-10,18-23,31-32H,11-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_2_2proton,444.371578776,NHTXVOKRJSZBJV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15515,2722,-1,,,,0.0,MS1_match,QOBZCZYZWSKHNJ-BAFQVELBSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)25-23(32)16-28(4)22-11-10-21-19(15-20(22)13-14-27(25,28)3)9-12-24(30(7)8)26(21,2)17-31/h13,15,18,21-25,31-32H,9-12,14,16-17H2,1-8H3/t18-,21+,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@]4(C)CO)N(C)C,C28H48N2O2,pos_2_2proton,444.371578776,QOBZCZYZWSKHNJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15516,2722,-1,,,,0.0,MS1_match,GGYRCIQGXDJUPI-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(31)14-26(4)21-9-8-20-24(2)16-32-17-30(7)22(24)10-11-27(20)15-28(21,27)13-12-25(23,26)3/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_2_2proton,444.371578776,GGYRCIQGXDJUPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15517,2720,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UHFFFAOYSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3",COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,0,6.0 15518,2718,2074,Terpenoids,Monoterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_3_3proton,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],8,3,9.5 15519,2718,2074,Terpenoids,Monoterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WCGUUGGRBIKTOS-SVIQAJTESA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_3_3proton,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 15520,2718,2074,Terpenoids,Monoterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WCGUUGGRBIKTOS-SVIQAJTESA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24-,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_3_3proton,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 15521,2718,2074,Terpenoids,Monoterpenoids,Ursane and Taraxastane triterpenoids,0.0,MS1_match,WCGUUGGRBIKTOS-UHFFFAOYSA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,C30H48O3,pos_3_3proton,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Pyrus bretschneideri,3902937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus x bretschneideri'],8,3,9.5 15522,2717,2909,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_1_1proton,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15523,2717,2909,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_1_1proton,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15524,2716,2876,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UHWGEBWMTHODHT-CYKJOMKPSA-N,"InChI=1S/C22H32O3/c1-18(2)14-5-6-15-19(3)9-7-16(23)20(19,4)11-12-22(15)13-21(14,22)10-8-17(24)25-18/h14-15H,5-13H2,1-4H3/t14-,15-,19-,20+,21+,22-/m0/s1",CC1(C)OC(=O)CC[C@]23C[C@]24CC[C@]2(C)C(=O)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C22H32O3,pos_1_1proton1ethylamine,344.235144884,UHWGEBWMTHODHT,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,1,7.5 15525,2715,-1,,,,0.0,MS1_match,NMHMNPHRMNGLLB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)",O=C(O)CCc1ccc(O)cc1,C9H10O3,pos_1_1proton,166.06299418,NMHMNPHRMNGLLB,Shikimates and Phenylpropanoids,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 15526,2715,-1,,,,0.0,MS1_match,GOQGGGANVKPMNH-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3",COc1cc(CC=O)ccc1O,C9H10O3,pos_1_1proton,166.06299418,GOQGGGANVKPMNH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15527,2715,-1,,,,0.0,MS1_match,GYCKQBWUSACYIF-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",CCOC(=O)c1ccccc1O,C9H10O3,pos_1_1proton,166.06299418,GYCKQBWUSACYIF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15528,2715,-1,,,,0.0,MS1_match,DFYRUELUNQRZTB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",COc1cc(C(C)=O)ccc1O,C9H10O3,pos_1_1proton,166.06299418,DFYRUELUNQRZTB,Shikimates and Phenylpropanoids,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 15529,2715,-1,,,,0.0,MS1_match,DFYRUELUNQRZTB-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",COc1cc(C(C)=O)ccc1O,C9H10O3,pos_1_1proton,166.06299418,DFYRUELUNQRZTB,Shikimates and Phenylpropanoids,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 15530,2713,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,0,7.0 15531,2713,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,0,7.0 15532,2706,1942,Terpenoids,Miscellaneous polyketides,Miscellaneous polyketides,0.32944852,ISDB,HYRMWBVOZFMSIF-MJTSSRLASA-N,"InChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-12-13-14(17)16(2,19-3)20-15(13)18/h12,14,17H,4-11H2,1-3H3/b13-12+/t14-,16+/m0/s1",CCCCCCCCC/C=C1/C(=O)O[C@@](C)(OC)[C@H]1O,C16H28O4,,284.198759376,HYRMWBVOZFMSIF,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Litsea coreana,366214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea coreana'],4,3,6.81779408454895 15533,2706,1942,Terpenoids,Miscellaneous polyketides,Miscellaneous polyketides,0.32944852,ISDB,HYRMWBVOZFMSIF-WSGWYYKGSA-N,"InChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-12-13-14(17)16(2,19-3)20-15(13)18/h12,14,17H,4-11H2,1-3H3/b13-12+/t14-,16-/m1/s1",CCCCCCCCC/C=C1/C(=O)O[C@@](C)(OC)[C@@H]1O,C16H28O4,,284.198759376,HYRMWBVOZFMSIF,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Litsea acutivena,18346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea acutivena'],4,3,6.81779408454895 15534,2706,1942,Terpenoids,Miscellaneous polyketides,Miscellaneous polyketides,0.32944852,ISDB,HYRMWBVOZFMSIF-UHFFFAOYSA-N,"InChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-12-13-14(17)16(2,19-3)20-15(13)18/h12,14,17H,4-11H2,1-3H3",CCCCCCCCCC=C1C(=O)OC(C)(OC)C1O,C16H28O4,,284.198759376,HYRMWBVOZFMSIF,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Daphnopsis macrophylla,5746985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphnopsis'],['Daphnopsis macrophylla'],4,3,6.81779408454895 15535,2706,1942,Terpenoids,Miscellaneous polyketides,Miscellaneous polyketides,0.32944852,ISDB,HYRMWBVOZFMSIF-QFZKEODISA-N,"InChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-12-13-14(17)16(2,19-3)20-15(13)18/h12,14,17H,4-11H2,1-3H3/b13-12-/t14-,16+/m1/s1",CCCCCCCCC/C=C1\C(=O)O[C@](C)(OC)[C@@H]1O,C16H28O4,,284.198759376,HYRMWBVOZFMSIF,Polyketides,Miscellaneous polyketides,Miscellaneous polyketides,Litsea hypophaea,559683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea hypophaea'],4,3,6.81779408454895 15536,2705,1062,Terpenoids,Steroids,Cycloartane triterpenoids,0.30803087,ISDB,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Taxus wallichiana,1043657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus wallichiana'],6,2,8.232123494148254 15537,2705,1062,Terpenoids,Steroids,Cycloartane triterpenoids,0.30803087,ISDB,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,2,8.232123494148254 15538,2705,1062,Terpenoids,Steroids,Cycloartane triterpenoids,0.30803087,ISDB,NKDFYOWSKOHCCO-YPVLXUMRSA-N,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O7,,480.308703748,NKDFYOWSKOHCCO,Terpenoids,Steroids,Ecdysteroids,Taxus brevifolia,667265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus brevifolia'],6,2,8.232123494148254 15539,2704,1062,Terpenoids,Steroids,Cycloartane triterpenoids,0.7569366,ISDB,VOQMBAJQSRMTML-CMXOSDEXSA-N,"InChI=1S/C27H40O5/c1-14-6-7-20(31)32-16-11-24(4)22-15(28)10-17-23(2,3)18(29)8-9-26(17)13-27(22,26)12-19(30)25(24,5)21(14)16/h14-17,19,21-22,28,30H,6-13H2,1-5H3/t14-,15+,16-,17+,19-,21+,22+,24+,25-,26-,27+/m1/s1",C[C@@H]1CCC(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@@H](O)C[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46C[C@@H](O)[C@]3(C)[C@@H]12,C27H40O5,,444.28757438,VOQMBAJQSRMTML,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Schisandra lancifolia,152938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Schisandra'],['Schisandra lancifolia'],3,3,7.5277464389801025 15540,2703,1062,Terpenoids,Steroids,Cycloartane triterpenoids,0.7093517,ISDB,JTYFNPPXDSFFCZ-CBGIEGCTSA-N,"InChI=1S/C27H38O4/c1-15-6-7-20(30)31-17-13-25(5)22-16(28)12-18-23(2,3)19(29)8-9-26(18)14-27(22,26)11-10-24(25,4)21(15)17/h8-9,15-18,21-22,28H,6-7,10-14H2,1-5H3/t15-,16+,17-,18+,21+,22+,24-,25+,26-,27+/m1/s1",C[C@@H]1CCC(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@@H](O)C[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12,C27H38O4,,426.277009696,JTYFNPPXDSFFCZ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Schisandra sphenanthera,70565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Schisandra'],['Schisandra sphenanthera'],3,3,7.337406873703003 15541,2702,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ammonium,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 15542,2702,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ammonium,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia salicifolia,863074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia salicifolia'],7,3,8.5 15543,2702,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FNMHEHXNBNCPCI-QEOJJFGVSA-N,"InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ammonium,624.205420452,FNMHEHXNBNCPCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 15544,2702,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NFBNGFRFMOYOCE-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)28(41-13)44-27-25(39)26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(OC(=O)C=Cc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O,C29H36O15,pos_1_1proton1ammonium,624.205420452,NFBNGFRFMOYOCE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 15545,2702,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QLZWUGOYBODRLF-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C29H36O15,pos_1_1proton1ammonium,624.205420452,QLZWUGOYBODRLF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 15546,2702,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QLZWUGOYBODRLF-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C29H36O15,pos_1_1proton1ammonium,624.205420452,QLZWUGOYBODRLF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 15547,2702,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UQLLVROLGGKAEB-QQLYGORSSA-N,"InChI=1S/C29H36O15/c1-13-22(35)24(37)26(39)28(42-13)44-27-25(38)23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-29(27)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28-,29+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ammonium,624.205420452,UQLLVROLGGKAEB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 15548,2701,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78571194,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.642847776412964 15549,2701,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78571194,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.642847776412964 15550,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,1,6.5 15551,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,1,6.5 15552,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea engelmannii,248427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea engelmannii'],6,1,6.5 15553,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,1,6.5 15554,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,1,6.5 15555,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,6.5 15556,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea mariana,363879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea mariana'],6,1,6.5 15557,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,1,6.5 15558,2700,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,pos_1_1proton1methanol,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,1,6.5 15559,2699,794,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,IYXKFHZDYXAAFO-PBUPUVDDSA-N,"InChI=1S/C20H34O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h13,15-16,23H,6-12H2,1-5H3,(H,21,22)/b14-13+/t15-,16+,19-,20+/m0/s1",C/C(=C\C(=O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H34O3,pos_2MFe,322.250794948,IYXKFHZDYXAAFO,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,7.5 15560,2699,794,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,NSRKLZRKJJQJLD-YESPVIGUSA-N,"InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16+,17-,19-,20+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@@H](C)CCO,C20H34O3,pos_2MFe,322.250794948,NSRKLZRKJJQJLD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,3,7.5 15561,2698,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WKCHWHAYABLGGH-HMZGVFFESA-N,"InChI=1S/C33H48N2O4/c1-20(35(5)6)27-22(37)16-30(3)24-13-12-23-29(2,19-36)25(34-28(39)21-10-8-7-9-11-21)14-15-32(23)18-33(24,32)26(38)17-31(27,30)4/h7-11,20,22-25,27,36-37H,12-19H2,1-6H3,(H,34,39)/t20-,22-,23+,24+,25+,27+,29-,30+,31-,32-,33+/m1/s1",C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C,C33H48N2O4,pos_1_1proton1methanol,536.361408016,WKCHWHAYABLGGH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15562,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,13.248554706573486 15563,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,13.248554706573486 15564,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,13.248554706573486 15565,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,3,13.248554706573486 15566,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,13.248554706573486 15567,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,13.248554706573486 15568,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.248554706573486 15569,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.248554706573486 15570,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,13.248554706573486 15571,2696,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9371387,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,13.248554706573486 15572,2695,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 15573,2695,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 15574,2695,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 15575,2695,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 15576,2695,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 15577,2695,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 15578,2694,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4371531,ISDB,SDUCDGMAWSHYSB-CTXWBZHFSA-N,"InChI=1S/C34H49NO5/c1-8-20(3)16-22(5)27-23(6)18-33(7)17-21(4)10-15-26(33)28(27)30(37)29-31(40-9-2)34(39,35-32(29)38)19-24-11-13-25(36)14-12-24/h11-14,16,18,20-21,26-29,31,36,39H,8-10,15,17,19H2,1-7H3,(H,35,38)/b22-16+/t20-,21+,26-,27+,28-,29-,31-,33-,34-/m1/s1",CCO[C@@H]1[C@@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@@]1(O)Cc1ccc(O)cc1,C34H49NO5,,551.361073668,SDUCDGMAWSHYSB,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Penicillium convolutum,527376.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Talaromyces'],['Talaromyces convolutus'],1,0,2.748612403869629 15579,2694,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4371531,ISDB,SDUCDGMAWSHYSB-CTXWBZHFSA-N,"InChI=1S/C34H49NO5/c1-8-20(3)16-22(5)27-23(6)18-33(7)17-21(4)10-15-26(33)28(27)30(37)29-31(40-9-2)34(39,35-32(29)38)19-24-11-13-25(36)14-12-24/h11-14,16,18,20-21,26-29,31,36,39H,8-10,15,17,19H2,1-7H3,(H,35,38)/b22-16+/t20-,21+,26-,27+,28-,29-,31-,33-,34-/m1/s1",CCO[C@@H]1[C@@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@@]1(O)Cc1ccc(O)cc1,C34H49NO5,,551.361073668,SDUCDGMAWSHYSB,Amino acids and Peptides,Cyclic polyketides,3-Decalinoyltetramic acids,Talaromyces convolutus,527376.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Talaromyces'],['Talaromyces convolutus'],1,0,2.748612403869629 15580,2692,-1,,,,0.71881306,ISDB,KZQCBBYGLMOAMI-UHFFFAOYSA-N,"InChI=1S/C11H10O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,14H,2-3H2,1H3",Cc1cc(O)c2c(c1)C(=O)CCC2=O,C11H10O3,,190.06299418,KZQCBBYGLMOAMI,Polyketides,Naphthalenes,Naphthoquinones,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],8,0,10.87525224685669 15581,2689,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LQRKRHDZKOLWKN-ZDPLCZSVSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h9-10,17-22,28,30H,11-16H2,1-8H3/t17-,18-,19+,20+,21+,22+,24-,25+,26-,27+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C27H46N2O,pos_2_2proton,414.361014092,LQRKRHDZKOLWKN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15582,2689,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IBBJBVLTEQHUQV-ZUDQDPCPSA-N,"InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@H]5C,C27H46N2O,pos_2_2proton,414.361014092,IBBJBVLTEQHUQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15583,2689,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GTXYASOPMHQGPE-KBVVDYDXSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2O,pos_2_2proton,414.361014092,GTXYASOPMHQGPE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15584,2689,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SZDAYVWJPZICBE-KNWQDMBOSA-N,"InChI=1S/C27H46N2O/c1-17-19-9-10-22-25(4)15-21(30)23(18(2)28(5)6)24(25,3)13-14-27(22)16-26(19,27)12-11-20(17)29(7)8/h9-10,17-23,30H,11-16H2,1-8H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26+,27-/m0/s1",C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13,C27H46N2O,pos_2_2proton,414.361014092,SZDAYVWJPZICBE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15585,2689,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UFOMWAWIEKKLJS-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3",CNC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_2_2proton,414.361014092,UFOMWAWIEKKLJS,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15586,2689,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JTOMBDWNZMKDRU-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h9,13,17,20-24,28,30H,10-12,14-16H2,1-8H3",CNC1CC=C2CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_2_2proton,414.361014092,JTOMBDWNZMKDRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15587,2688,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.612872,ISDB,QABKOUYSEBJPNG-ILIUCWEBSA-N,"InChI=1S/C19H20O4/c1-4-5-12-8-14-11(2)18(23-19(14)16(21)9-12)13-6-7-15(20)17(10-13)22-3/h4-11,18,20-21H,1-3H3/b5-4+/t11-,18-/m1/s1",C/C=C/c1cc(O)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C19H20O4,,312.13615912,QABKOUYSEBJPNG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Melaleuca citrina,730603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Callistemon'],['Callistemon citrinus'],3,3,6.951488018035889 15588,2688,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.612872,ISDB,QABKOUYSEBJPNG-ILIUCWEBSA-N,"InChI=1S/C19H20O4/c1-4-5-12-8-14-11(2)18(23-19(14)16(21)9-12)13-6-7-15(20)17(10-13)22-3/h4-11,18,20-21H,1-3H3/b5-4+/t11-,18-/m1/s1",C/C=C/c1cc(O)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C19H20O4,,312.13615912,QABKOUYSEBJPNG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Melaleuca lutea,3935393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Melaleuca'],['Melaleuca lutea'],3,3,6.951488018035889 15589,2688,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.612872,ISDB,QABKOUYSEBJPNG-ADLMAVQZSA-N,"InChI=1S/C19H20O4/c1-4-5-12-8-14-11(2)18(23-19(14)16(21)9-12)13-6-7-15(20)17(10-13)22-3/h4-11,18,20-21H,1-3H3/t11-,18-/m1/s1",CC=Cc1cc(O)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C19H20O4,,312.13615912,QABKOUYSEBJPNG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Callistemon citrinus,730603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Callistemon'],['Callistemon citrinus'],3,3,6.951488018035889 15590,2688,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.612872,ISDB,QABKOUYSEBJPNG-ADLMAVQZSA-N,"InChI=1S/C19H20O4/c1-4-5-12-8-14-11(2)18(23-19(14)16(21)9-12)13-6-7-15(20)17(10-13)22-3/h4-11,18,20-21H,1-3H3/t11-,18-/m1/s1",CC=Cc1cc(O)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C19H20O4,,312.13615912,QABKOUYSEBJPNG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Callistemon lanceolatus,1014094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Callistemon'],['Callistemon lanceolatus'],3,3,6.951488018035889 15591,2686,-1,,,,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1potassium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,0,6.0 15592,2685,894,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1sodium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,1,6.5 15593,2682,-1,,,,0.5085289,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0341155529022217 15594,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 15595,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 15596,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 15597,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata var. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 15598,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serrulata f. spontanea,417136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 15599,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,0,8.0 15600,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 15601,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus cornuta,1074615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cornuta'],8,0,8.0 15602,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus serotina,187948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serotina'],8,0,8.0 15603,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 15604,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 15605,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 15606,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 15607,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus myrtifolia,302846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus myrtifolia'],8,0,8.0 15608,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 15609,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 15610,2681,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-MXNNCRBYSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1",N#CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ethylamine,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,0,8.0 15611,2680,794,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,pos_2MFe,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,3,8.5 15612,2679,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JTOMBDWNZMKDRU-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h9,13,17,20-24,28,30H,10-12,14-16H2,1-8H3",CNC1CC=C2CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_1_1proton,414.361014092,JTOMBDWNZMKDRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15613,2679,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_1_1proton1ethylamine,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15614,2679,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UFOMWAWIEKKLJS-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3",CNC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_1_1proton,414.361014092,UFOMWAWIEKKLJS,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15615,2679,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SZDAYVWJPZICBE-KNWQDMBOSA-N,"InChI=1S/C27H46N2O/c1-17-19-9-10-22-25(4)15-21(30)23(18(2)28(5)6)24(25,3)13-14-27(22)16-26(19,27)12-11-20(17)29(7)8/h9-10,17-23,30H,11-16H2,1-8H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26+,27-/m0/s1",C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13,C27H46N2O,pos_1_1proton,414.361014092,SZDAYVWJPZICBE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15616,2679,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LQRKRHDZKOLWKN-ZDPLCZSVSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h9-10,17-22,28,30H,11-16H2,1-8H3/t17-,18-,19+,20+,21+,22+,24-,25+,26-,27+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C27H46N2O,pos_1_1proton,414.361014092,LQRKRHDZKOLWKN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15617,2679,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IBBJBVLTEQHUQV-ZUDQDPCPSA-N,"InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@H]5C,C27H46N2O,pos_1_1proton,414.361014092,IBBJBVLTEQHUQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15618,2679,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GTXYASOPMHQGPE-KBVVDYDXSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2O,pos_1_1proton,414.361014092,GTXYASOPMHQGPE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15619,2677,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.7218187,ISDB,QKTPYRDTLBAVJH-AUSJPIAWSA-N,"InChI=1S/C20H22O5/c1-23-18-8-11(3-4-16(18)21)20-15-6-13-7-17(22)19(24-2)9-12(13)5-14(15)10-25-20/h3-4,7-9,14-15,20-22H,5-6,10H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc([C@H]2OC[C@@H]3Cc4cc(OC)c(O)cc4C[C@@H]32)ccc1O,C20H22O5,,342.1467238039999,QKTPYRDTLBAVJH,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Stellera chamaejasme,191882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Stellera'],['Stellera chamaejasme'],3,3,7.387274742126465 15620,2676,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6275176,ISDB,JVPHMEDOWQXNDP-UHFFFAOYSA-N,"InChI=1S/C17H18O4/c1-19-12-6-7-13-10(8-12)4-5-11-9-14(20-2)16(18)17(21-3)15(11)13/h6-9,18H,4-5H2,1-3H3",COc1ccc2c(c1)CCc1cc(OC)c(O)c(OC)c1-2,C17H18O4,,286.120509056,JVPHMEDOWQXNDP,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Dendrobium nobile,508208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium nobile'],3,3,7.010070323944092 15621,2675,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.7864671,ISDB,RWCTZGNIHHTMKW-UHFFFAOYSA-N,"InChI=1S/C17H16O4/c1-19-11-5-9-3-4-10-6-13(18)17(20-2)12-8-21-14(7-11)16(9)15(10)12/h5-7,18H,3-4,8H2,1-2H3",COc1cc2c3c(c1)OCc1c(OC)c(O)cc(c1-3)CC2,C17H16O4,,284.104858992,RWCTZGNIHHTMKW,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Agrostophyllum planicaule,3988514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Epidendreae'],['Agrostophyllum'],['Agrostophyllum planicaule'],3,3,7.645868301391602 15622,2674,-1,,,,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1acetonitrile,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 15623,2674,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1acetonitrile,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,0,9.0 15624,2674,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1proton1acetonitrile,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 15625,2671,420,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NABVFHUVYXEKSQ-ZBGLXGBJSA-N,"InChI=1S/C11H18O8/c1-5(2-3-12)10(16)18-4-6-7(13)8(14)9(15)11(17)19-6/h6-9,11-15,17H,1-4H2/t6-,7-,8+,9-,11-/m1/s1",C=C(CCO)C(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C11H18O8,pos_2MK,278.100167536,NABVFHUVYXEKSQ,,,,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,0,6.0 15626,2669,425,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,JHLPYWLKSLVYOI-SNAWJCMRSA-N,"InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+",COC(=O)/C=C/c1cc(OC)c(O)c(OC)c1,C12H14O5,pos_2MHNH3,238.084123548,JHLPYWLKSLVYOI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,3,8.5 15627,2668,-1,,,,0.0,MS1_match,WGRQLYJSRDDYHN-MDRZJINZSA-N,"InChI=1S/C15H22O8/c1-6-8(17)4-7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-3,7-20H,1,4-5H2/t7-,8-,9+,10+,11+,12-,13+,14-,15-/m0/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]2C[C@@H]1O,C15H22O8,pos_1_1sodium,330.131467664,WGRQLYJSRDDYHN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 15628,2668,-1,,,,0.0,MS1_match,UQQFHQBHLAWWSL-FKVJWERZSA-N,"InChI=1S/C15H22O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-3,7-20H,1,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",C=C1C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O8,pos_1_1sodium,330.131467664,UQQFHQBHLAWWSL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 15629,2666,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BVUBTNCZSYXLNC-SWQDJAIOSA-N,"InChI=1S/C21H28O11/c1-10-14(23)16(25)18(27)20(30-10)29-9-12-15(24)17(26)19(28)21(31-12)32-13(22)8-7-11-5-3-2-4-6-11/h2-8,10,12,14-21,23-28H,9H2,1H3/b8-7+/t10-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H28O11,pos_1_1proton1ammonium,456.163161716,BVUBTNCZSYXLNC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea neoveitchii,372468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea neoveitchii'],6,3,7.5 15630,2664,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.56957245,ISDB,ZSSOEDOJNKLXOG-HNAYVOBHSA-N,"InChI=1S/C19H22O5/c1-23-18-10-13(5-6-16(18)22)19-15(11-21)14-9-12(3-2-8-20)4-7-17(14)24-19/h4-7,9-10,15,19-22H,2-3,8,11H2,1H3/t15-,19+/m0/s1",COc1cc([C@H]2Oc3ccc(CCCO)cc3[C@@H]2CO)ccc1O,C19H22O5,,330.146723804,ZSSOEDOJNKLXOG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,9.778289794921875 15631,2663,-1,,,,0.0,MS1_match,BUQQDANPHQFSEK-CNLGBIOTSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16-,21-,22-,23-,24+,25-,26-/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1sodium,522.2101119079998,BUQQDANPHQFSEK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 15632,2663,-1,,,,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1sodium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15633,2663,-1,,,,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1sodium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 15634,2662,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BUQQDANPHQFSEK-CNLGBIOTSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16-,21-,22-,23-,24+,25-,26-/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,BUQQDANPHQFSEK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,2,7.0 15635,2662,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,2,7.0 15636,2662,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,2,7.0 15637,2658,-1,,,,0.52663094,ISDB,,,,,,,CRZNCBBCJSABDV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1065237522125244 15638,2657,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AXGWYABSYNCIMX-YQAISADPSA-N,"InChI=1S/C26H46N2/c1-17(27-6)18-10-12-24(5)20-9-8-19-22(2,3)21(28-7)11-13-25(19)16-26(20,25)15-14-23(18,24)4/h17-21,27-28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2,pos_2_2proton,386.366099472,AXGWYABSYNCIMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15639,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ethylamine,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 15640,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ethylamine,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 15641,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ethylamine,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 15642,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ethylamine,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 15643,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-UHFFFAOYSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C25H32O11,pos_1_1proton1ethylamine,508.194461844,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 15644,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ethylamine,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 15645,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ethylamine,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 15646,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ethylamine,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 15647,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ethylamine,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 15648,2656,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-UHFFFAOYSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C25H32O11,pos_1_1proton1ethylamine,508.194461844,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 15649,2655,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.20031111,ISDB,,,,,,,TXPZFODNQVHXLF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8012444376945496 15650,2651,1359,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.33910555,ISDB,,,,,,,YOOCVTIYZNOVKI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3564221858978271 15651,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 15652,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 15653,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 15654,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 15655,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-UHFFFAOYSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C25H32O11,pos_1_1sodium,508.194461844,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 15656,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,0,7.0 15657,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 15658,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,0,7.0 15659,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,0,7.0 15660,2649,-1,,,,0.0,MS1_match,LDAXQCVBWKSHLB-UHFFFAOYSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C25H32O11,pos_1_1sodium,508.194461844,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,0,7.0 15661,2646,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DLMNMDWSPBXDSA-GACAOOTDSA-N,"InChI=1S/C35H54N2O6/c1-20(37(5)6)28-22(39)17-33(4)26-10-9-25-31(2,19-38)27(11-12-34(25)18-35(26,34)14-13-32(28,33)3)36-30(41)21-15-23(42-7)29(40)24(16-21)43-8/h15-16,20,22,25-28,38-40H,9-14,17-19H2,1-8H3,(H,36,41)/t20-,22+,25-,26-,27-,28-,31-,32+,33-,34+,35-/m0/s1",COc1cc(C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C35H54N2O6,pos_2_2proton,598.3981874479999,DLMNMDWSPBXDSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 15662,2645,-1,,,,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1sodium,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 15663,2645,-1,,,,0.0,MS1_match,OYRNAQRKPVOICQ-JKNURMDQSA-N,"InChI=1S/C18H30O10/c1-4-25-11(12-16(28-17(12)24)9(20)5-8(2)3)7-26-18-15(23)14(22)13(21)10(6-19)27-18/h5,9-16,18-23H,4,6-7H2,1-3H3/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C,C18H30O10,pos_1_1sodium,406.1838971599999,OYRNAQRKPVOICQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,0,6.0 15664,2644,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8742128,ISDB,ONFMRFRIMHKKRD-RMXRRYFASA-N,"InChI=1S/C28H32O16/c1-9(29)24-21(36)23(38)27(43-24)40-8-16-18(33)20(35)22(37)28(42-16)44-26-19(34)17-13(32)6-11(30)7-15(17)41-25(26)10-3-4-14(39-2)12(31)5-10/h3-7,9,16,18,20-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18+,20-,21-,22+,23+,24-,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H]([C@H](C)O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,,624.169034944,ONFMRFRIMHKKRD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],0,3,4.996851205825806 15665,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,8.5 15666,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 15667,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 15668,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 15669,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-UHFFFAOYSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C25H32O11,pos_1_1proton1ammonium,508.194461844,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 15670,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,8.5 15671,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,3,8.5 15672,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 15673,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-NAPQKZHBSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2/t16-,21+,22+,23-,24+,25+/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439998,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus rubra,639117.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus rubra'],7,3,8.5 15674,2641,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,LDAXQCVBWKSHLB-UHFFFAOYSA-N,"InChI=1S/C25H32O11/c26-12-21-22(32)23(33)24(34)25(36-21)35-16(6-2-14-4-8-18(29)20(31)10-14)11-15(27)5-1-13-3-7-17(28)19(30)9-13/h3-4,7-10,16,21-26,28-34H,1-2,5-6,11-12H2",O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C25H32O11,pos_1_1proton1ammonium,508.194461844,LDAXQCVBWKSHLB,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,8.5 15675,2640,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3232129,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],7,3,9.792851567268372 15676,2640,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3232129,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,9.792851567268372 15677,2640,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3232129,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus firma,117347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus firma'],7,3,9.792851567268372 15678,2640,90,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.3232129,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,9.792851567268372 15679,2639,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 15680,2639,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 15681,2637,1741,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.5216913,ISDB,VJJPCEDEDJXHHK-ZPUQHVIOSA-N,"InChI=1S/C19H18O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h1-4,6-7,9-12,21-24H,5,8H2/b3-1+,4-2+",O=C(/C=C/C=C/c1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H18O5,,326.1154236759999,VJJPCEDEDJXHHK,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alnus formosana,639094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus formosana'],7,3,10.58676528930664 15682,2636,1073,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,QCDYOIZVELGOLZ-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1,C18H16O6,pos_2_2proton,328.094688232,QCDYOIZVELGOLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],7,3,8.5 15683,2636,1073,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,VOLPCZWHFBZDQT-UHFFFAOYSA-N,"InChI=1S/C18H16O6/c1-21-16-14(20)13-11(19)9-12(10-7-5-4-6-8-10)24-15(13)17(22-2)18(16)23-3/h4-9,20H,1-3H3",COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC,C18H16O6,pos_2_2proton,328.09468823199995,VOLPCZWHFBZDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,3,8.5 15684,2635,-1,,,,0.0,MS1_match,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",O=C(O)c1ccccc1,C7H6O2,pos_1_1proton,122.036779432,WPYMKLBDIGXBTP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],7,0,7.0 15685,2634,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DLMNMDWSPBXDSA-GACAOOTDSA-N,"InChI=1S/C35H54N2O6/c1-20(37(5)6)28-22(39)17-33(4)26-10-9-25-31(2,19-38)27(11-12-34(25)18-35(26,34)14-13-32(28,33)3)36-30(41)21-15-23(42-7)29(40)24(16-21)43-8/h15-16,20,22,25-28,38-40H,9-14,17-19H2,1-8H3,(H,36,41)/t20-,22+,25-,26-,27-,28-,31-,32+,33-,34+,35-/m0/s1",COc1cc(C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O,C35H54N2O6,pos_1_1proton,598.3981874479999,DLMNMDWSPBXDSA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 15686,2633,2141,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.48556715,ISDB,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.44226861000061 15687,2630,-1,,,,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1acetonitrile,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15688,2629,-1,,,,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_2MNa,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 15689,2627,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVWOWJBPZRXVCO-UHFFFAOYSA-N,"InChI=1S/C28H48N2O/c1-18(29(6)7)23-19(31)16-26(5)21-11-10-20-24(2,3)22(30(8)9)12-13-27(20)17-28(21,27)15-14-25(23,26)4/h10-11,18-23,31H,12-17H2,1-9H3",CC(C1C(O)CC2(C)C3C=CC4C(C)(C)C(N(C)C)CCC45CC35CCC12C)N(C)C,C28H48N2O,pos_2_2proton,428.376664156,UVWOWJBPZRXVCO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15690,2626,757,Alkaloids,Steroids,Steroidal alkaloids,0.0,MS1_match,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,pos_1_1proton1ammonium,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,3,8.5 15691,2625,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.68361235,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],3,3,7.23444938659668 15692,2624,2773,Terpenoids,Pseudoalkaloids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15693,2623,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6418003,ISDB,MMPSCNRRQGVBGG-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-14(22)19(24-3)18-16(12)13(21)9-11-5-6-15(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,,341.162708216,MMPSCNRRQGVBGG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,3,10.067201137542725 15694,2622,-1,,,,0.3179198,ISDB,,,,,,,DOGIDQKFVLKMLQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.271679162979126 15695,2621,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VSOMBMILGWLJQZ-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(29(7)8)21-14-16-27(5)23-11-10-22-19(9-12-24(28-6)25(22,2)3)17-20(23)13-15-26(21,27)4/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C27H46N2,pos_2_2proton,398.366099472,VSOMBMILGWLJQZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15696,2621,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZKQCFKWMWXFCIU-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(28-6)21-14-16-27(5)23-11-10-22-19(17-20(23)13-15-26(21,27)4)9-12-24(29(7)8)25(22,2)3/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2,pos_2_2proton,398.366099472,ZKQCFKWMWXFCIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15697,2620,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_1_1proton1ethylamine,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15698,2620,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVWOWJBPZRXVCO-UHFFFAOYSA-N,"InChI=1S/C28H48N2O/c1-18(29(6)7)23-19(31)16-26(5)21-11-10-20-24(2,3)22(30(8)9)12-13-27(20)17-28(21,27)15-14-25(23,26)4/h10-11,18-23,31H,12-17H2,1-9H3",CC(C1C(O)CC2(C)C3C=CC4C(C)(C)C(N(C)C)CCC45CC35CCC12C)N(C)C,C28H48N2O,pos_1_1proton,428.376664156,UVWOWJBPZRXVCO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15699,2619,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.62119704,ISDB,AXGWYABSYNCIMX-YQAISADPSA-N,"InChI=1S/C26H46N2/c1-17(27-6)18-10-12-24(5)20-9-8-19-22(2,3)21(28-7)11-13-25(19)16-26(20,25)15-14-23(18,24)4/h17-21,27-28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2,,386.366099472,AXGWYABSYNCIMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.984788179397583 15700,2617,1359,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6952275,ISDB,BCIBEYSHPVFKBY-UHFFFAOYSA-N,"InChI=1S/C29H24O10/c30-15-5-14(6-16(31)9-15)25-26-24(38-28(25)13-2-4-19(33)22(36)8-13)11-20(34)17-10-23(37)27(39-29(17)26)12-1-3-18(32)21(35)7-12/h1-9,11,23,25,27-28,30-37H,10H2",Oc1cc(O)cc(C2c3c(cc(O)c4c3OC(c3ccc(O)c(O)c3)C(O)C4)OC2c2ccc(O)c(O)c2)c1,C29H24O10,,532.136946968,BCIBEYSHPVFKBY,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],5,3,9.280910015106201 15701,2616,-1,,,,0.52805144,ISDB,,,,,,,KRMDCWKBEZIMAB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.112205743789673 15702,2614,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.757378,ISDB,HKEQVXVLTOSXLQ-UHFFFAOYSA-N,"InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O,C16H12O8,,332.053217344,HKEQVXVLTOSXLQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,3,10.52951192855835 15703,2614,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.757378,ISDB,HKEQVXVLTOSXLQ-UHFFFAOYSA-N,"InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O,C16H12O8,,332.053217344,HKEQVXVLTOSXLQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus maritimus,1024809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus maritimus'],6,3,10.52951192855835 15704,2612,-1,,,,0.0,MS1_match,GWDZRGQRNHELQM-VEKSOEEBSA-N,"InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16+,20+,22-,25+,27+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C27H36O12,pos_1_1sodium,552.220676592,GWDZRGQRNHELQM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 15705,2612,-1,,,,0.0,MS1_match,GWDZRGQRNHELQM-VEKSOEEBSA-N,"InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16+,20+,22-,25+,27+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C27H36O12,pos_1_1sodium,552.220676592,GWDZRGQRNHELQM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 15706,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1proton,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis spicigera,795520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis spicigera'],6,3,7.5 15707,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1proton,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis cineraria,847862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis cineraria'],6,3,7.5 15708,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1proton,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis spicigera,795520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis spicigera'],6,3,7.5 15709,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1proton,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis cineraria,847862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis cineraria'],6,3,7.5 15710,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1proton,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis spicigera,795520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis spicigera'],6,3,7.5 15711,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1proton,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis cineraria,847862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis cineraria'],6,3,7.5 15712,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1methanol,462.0798260159998,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cicer mogoltavicum,3928221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer mogoltavicum'],6,3,7.5 15713,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1methanol,462.0798260159998,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,3,7.5 15714,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1methanol,462.0798260159998,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hedysarum coronarium,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,3,7.5 15715,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1methanol,462.0798260159998,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sulla coronaria,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,3,7.5 15716,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1methanol,462.0798260159998,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cicer mogoltavicum,3928221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer mogoltavicum'],6,3,7.5 15717,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1methanol,462.0798260159998,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,3,7.5 15718,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1methanol,462.0798260159998,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hedysarum coronarium,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,3,7.5 15719,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FNTJVYCFNVUBOL-ZUGPOPFOSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton1methanol,462.0798260159998,FNTJVYCFNVUBOL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sulla coronaria,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,3,7.5 15720,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HBKIRGQPEXVXGB-UHFFFAOYSA-N,"InChI=1S/C22H22O13/c1-32-19-11(27)5-10(26)13-15(29)21(35-22-17(31)16(30)14(28)12(6-23)33-22)18(34-20(13)19)7-2-3-8(24)9(25)4-7/h2-5,12,14,16-17,22-28,30-31H,6H2,1H3",COc1c(O)cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc12,C22H22O13,pos_1_1proton,494.106040764,HBKIRGQPEXVXGB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,3,7.5 15721,2611,599,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RUJHFBFKZCYVLZ-ROSPJSJWSA-N,"InChI=1S/C22H22O13/c1-32-11-2-7(21-19(30)17(28)14-9(25)4-8(24)5-10(14)33-21)3-12(15(11)26)34-22-20(31)18(29)16(27)13(6-23)35-22/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13-,16-,18+,20-,22-/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C22H22O13,pos_1_1proton,494.10604076399983,RUJHFBFKZCYVLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,3,7.5 15722,2610,2314,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.9051955,ISDB,VPAOSFFTKWUGAD-BGNCJLHMSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],5,3,10.120781898498535 15723,2608,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.80640566,ISDB,CHLDALNTQGWQLM-UHFFFAOYSA-N,"InChI=1S/C10H14O2/c1-7-5-10(2,3)8(6-11)4-9(7)12/h4-6,9,12H,1-3H3",CC1=CC(C)(C)C(C=O)=CC1O,C10H14O2,,166.099379688,CHLDALNTQGWQLM,Terpenoids,,,Eryngium,64762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Saniculeae'],['Eryngium'],['Unknown'],3,1,6.725622653961182 15724,2608,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.80640566,ISDB,CHLDALNTQGWQLM-UHFFFAOYSA-N,"InChI=1S/C10H14O2/c1-7-5-10(2,3)8(6-11)4-9(7)12/h4-6,9,12H,1-3H3",CC1=CC(C)(C)C(C=O)=CC1O,C10H14O2,,166.099379688,CHLDALNTQGWQLM,Terpenoids,,,Ligusticum,200260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ligusticum'],['Unknown'],3,1,6.725622653961182 15725,2608,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.80640566,ISDB,CHLDALNTQGWQLM-VIFPVBQESA-N,"InChI=1S/C10H14O2/c1-7-5-10(2,3)8(6-11)4-9(7)12/h4-6,9,12H,1-3H3/t9-/m0/s1",CC1=CC(C)(C)C(C=O)=C[C@@H]1O,C10H14O2,,166.099379688,CHLDALNTQGWQLM,Terpenoids,,,Ferula,436007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Ferula'],['Unknown'],3,1,6.725622653961182 15726,2608,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.80640566,ISDB,CHLDALNTQGWQLM-UHFFFAOYSA-N,"InChI=1S/C10H14O2/c1-7-5-10(2,3)8(6-11)4-9(7)12/h4-6,9,12H,1-3H3",CC1=CC(C)(C)C(C=O)=CC1O,C10H14O2,,166.099379688,CHLDALNTQGWQLM,Terpenoids,,,Cenolophium denudatum,786279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Cenolophium'],['Cenolophium denudatum'],3,1,6.725622653961182 15727,2608,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.80640566,ISDB,CHLDALNTQGWQLM-VIFPVBQESA-N,"InChI=1S/C10H14O2/c1-7-5-10(2,3)8(6-11)4-9(7)12/h4-6,9,12H,1-3H3/t9-/m0/s1",CC1=CC(C)(C)C(C=O)=C[C@@H]1O,C10H14O2,,166.099379688,CHLDALNTQGWQLM,Terpenoids,,,Carum carvi,498463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Careae'],['Carum'],['Carum carvi'],3,1,6.725622653961182 15728,2608,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.80640566,ISDB,CHLDALNTQGWQLM-VIFPVBQESA-N,"InChI=1S/C10H14O2/c1-7-5-10(2,3)8(6-11)4-9(7)12/h4-6,9,12H,1-3H3/t9-/m0/s1",CC1=CC(C)(C)C(C=O)=C[C@@H]1O,C10H14O2,,166.099379688,CHLDALNTQGWQLM,Terpenoids,,,Dichoropetalum carvifolia,31975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Dichoropetalum'],['Dichoropetalum carvifolium'],3,1,6.725622653961182 15729,2605,-1,,,,0.43162468,ISDB,VZMMGHGZQILYKR-BNSCXGBZSA-N,"InChI=1S/C21H30O10/c1-10-16-13(24)5-11(7-22)3-2-4-12(6-14(16)30-20(10)28)9-29-21-19(27)18(26)17(25)15(8-23)31-21/h3,6-7,10,13-19,21,23-27H,2,4-5,8-9H2,1H3/b11-3-,12-6-/t10-,13-,14+,15+,16+,17+,18-,19+,21+/m0/s1",C[C@@H]1C(=O)O[C@@H]2/C=C(\CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C(\C=O)C[C@H](O)[C@@H]12,C21H30O10,,442.1838971599998,VZMMGHGZQILYKR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Sonchus oleraceus,827582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus oleraceus'],3,0,4.72649872303009 15730,2605,-1,,,,0.43162468,ISDB,VZMMGHGZQILYKR-BNSCXGBZSA-N,"InChI=1S/C21H30O10/c1-10-16-13(24)5-11(7-22)3-2-4-12(6-14(16)30-20(10)28)9-29-21-19(27)18(26)17(25)15(8-23)31-21/h3,6-7,10,13-19,21,23-27H,2,4-5,8-9H2,1H3/b11-3-,12-6-/t10-,13-,14+,15+,16+,17+,18-,19+,21+/m0/s1",C[C@@H]1C(=O)O[C@@H]2/C=C(\CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C(\C=O)C[C@H](O)[C@@H]12,C21H30O10,,442.1838971599998,VZMMGHGZQILYKR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Sonchus asper,761937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus asper'],3,0,4.72649872303009 15731,2604,-1,,,,0.68863475,ISDB,AISWISKDODQMAG-PRSHDEELSA-N,"InChI=1S/C15H18O4/c1-8-9-5-11-14(2,6-10(9)19-13(8)17)4-3-12(16)15(11)7-18-15/h3-4,10-12,16H,5-7H2,1-2H3/t10-,11+,12+,14+,15-/m0/s1",CC1=C2C[C@H]3[C@@]4(CO4)[C@H](O)C=C[C@]3(C)C[C@@H]2OC1=O,C15H18O4,,262.120509056,AISWISKDODQMAG,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Xanthium sibiricum,909849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Xanthium'],['Xanthium sibiricum'],3,0,5.7545390129089355 15732,2603,2841,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.7810663,ISDB,QLUPKRIWOVDUPU-PXNSSMCTSA-N,"InChI=1S/C21H16O7/c22-10-3-1-9(2-4-10)17-18-13(5-11(23)7-15(18)25)21(28)19-14(20(17)27)6-12(24)8-16(19)26/h1-8,17,20,22-27H/t17-,20-/m0/s1",O=C1c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H](O)c2cc(O)cc(O)c21,C21H16O7,,380.0896028519998,QLUPKRIWOVDUPU,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Shorea hemsleyana,5762106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Dipterocarpaceae'],['Unknown'],['Shorea'],['Shorea hemsleyana'],3,3,7.624265193939209 15733,2603,2841,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.7810663,ISDB,QLUPKRIWOVDUPU-XLIONFOSSA-N,"InChI=1S/C21H16O7/c22-10-3-1-9(2-4-10)17-18-13(5-11(23)7-15(18)25)21(28)19-14(20(17)27)6-12(24)8-16(19)26/h1-8,17,20,22-27H/t17-,20+/m1/s1",O=C1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H](O)c2cc(O)cc(O)c21,C21H16O7,,380.089602852,QLUPKRIWOVDUPU,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Hopea parviflora,75839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Dipterocarpaceae'],['Unknown'],['Hopea'],['Hopea parviflora'],3,3,7.624265193939209 15734,2602,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GNMSLDIYJOSUSW-LURJTMIESA-N,"InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1",CC(=O)N1CCC[C@H]1C(=O)O,C7H11NO3,pos_2MCa,157.073893212,GNMSLDIYJOSUSW,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 15735,2601,2371,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.6048823,ISDB,MVUOIVFSPUITKN-GAJTVXKRSA-N,"InChI=1S/C14H16O3/c1-8-9-6-10-11(15)4-3-5-14(10,2)7-12(9)17-13(8)16/h6,9,12H,1,3-5,7H2,2H3/t9-,12-,14-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=O)C3=C[C@H]12,C14H16O3,,232.109944372,MVUOIVFSPUITKN,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Inula helenium,319410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Inula helenium'],4,3,7.91952919960022 15736,2599,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1sodium,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis cineraria,847862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis cineraria'],6,3,7.5 15737,2599,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1sodium,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis spicigera,795520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis spicigera'],6,3,7.5 15738,2599,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1sodium,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis cineraria,847862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis cineraria'],6,3,7.5 15739,2599,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1sodium,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis spicigera,795520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis spicigera'],6,3,7.5 15740,2599,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1sodium,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis cineraria,847862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis cineraria'],6,3,7.5 15741,2599,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFCDXKGLUDDXCK-LMTLLXHESA-N,"InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O,C22H22O13,pos_1_1sodium,494.10604076399983,AFCDXKGLUDDXCK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis spicigera,795520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis spicigera'],6,3,7.5 15742,2599,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HBKIRGQPEXVXGB-UHFFFAOYSA-N,"InChI=1S/C22H22O13/c1-32-19-11(27)5-10(26)13-15(29)21(35-22-17(31)16(30)14(28)12(6-23)33-22)18(34-20(13)19)7-2-3-8(24)9(25)4-7/h2-5,12,14,16-17,22-28,30-31H,6H2,1H3",COc1c(O)cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc12,C22H22O13,pos_1_1sodium,494.106040764,HBKIRGQPEXVXGB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,3,7.5 15743,2599,1047,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RUJHFBFKZCYVLZ-ROSPJSJWSA-N,"InChI=1S/C22H22O13/c1-32-11-2-7(21-19(30)17(28)14-9(25)4-8(24)5-10(14)33-21)3-12(15(11)26)34-22-20(31)18(29)16(27)13(6-23)35-22/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13-,16-,18+,20-,22-/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C22H22O13,pos_1_1sodium,494.10604076399983,RUJHFBFKZCYVLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,3,7.5 15744,2597,328,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,0.92031926,ISDB,SAEZZWNICTYMTI-UHFFFAOYSA-N,"InChI=1S/C14H16O4/c1-8-3-5-13-7-10(16)17-11(13)12(2)9(15)4-6-14(8,12)18-13/h4,6,8,11H,3,5,7H2,1-2H3",CC1CCC23CC(=O)OC2C2(C)C(=O)C=CC12O3,C14H16O4,,248.104858992,SAEZZWNICTYMTI,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Parthenium hysterophorus,875356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium hysterophorus'],4,3,9.18127703666687 15745,2596,1539,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.95344836,ISDB,SVRJGKAZQHHOSZ-UOCKATJYSA-N,"InChI=1S/C23H22O14/c1-7(24)34-6-14-17(30)19(32)20(33)23(36-14)37-22-18(31)15-10(26)4-9(25)5-13(15)35-21(22)8-2-11(27)16(29)12(28)3-8/h2-5,14,17,19-20,23,25-30,32-33H,6H2,1H3/t14-,17+,19+,20-,23+/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O,C23H22O14,,522.1009553839998,SVRJGKAZQHHOSZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nymphaea odorata,583519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Nymphaeales'],['Nymphaeaceae'],['Unknown'],['Nymphaea'],['Nymphaea odorata'],3,3,8.313793420791626 15746,2595,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.47044966,ISDB,,,,,,,BXCCZKVECWBUJG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8817986249923706 15747,2594,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2584221,ISDB,SMPYGFGFKJAEJW-UHFFFAOYSA-N,"InChI=1S/C20H24N2/c1-13(2)22-19-10-6-8-16(14(19)3)20(22)11-15-12-21-18-9-5-4-7-17(15)18/h4-7,9-10,12-13,16,19-21H,3,8,11H2,1-2H3",C=C1C2CC=CC1N(C(C)C)C2Cc1c[nH]c2ccccc12,C20H24N2,,292.193948768,SMPYGFGFKJAEJW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Aristotelia peduncularis,730347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Elaeocarpaceae'],['Unknown'],['Aristotelia'],['Aristotelia peduncularis'],4,1,5.533688426017761 15748,2594,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2584221,ISDB,SMPYGFGFKJAEJW-UXPWSPDFSA-N,"InChI=1S/C20H24N2/c1-13(2)22-19-10-6-8-16(14(19)3)20(22)11-15-12-21-18-9-5-4-7-17(15)18/h4-7,9-10,12-13,16,19-21H,3,8,11H2,1-2H3/t16-,19+,20+/m1/s1",C=C1[C@H]2CC=C[C@@H]1N(C(C)C)[C@H]2Cc1c[nH]c2ccccc12,C20H24N2,,292.193948768,SMPYGFGFKJAEJW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Aristotelia serrata,1094482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Elaeocarpaceae'],['Unknown'],['Aristotelia'],['Aristotelia serrata'],4,1,5.533688426017761 15749,2594,531,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2584221,ISDB,SMPYGFGFKJAEJW-UXPWSPDFSA-N,"InChI=1S/C20H24N2/c1-13(2)22-19-10-6-8-16(14(19)3)20(22)11-15-12-21-18-9-5-4-7-17(15)18/h4-7,9-10,12-13,16,19-21H,3,8,11H2,1-2H3/t16-,19+,20+/m1/s1",C=C1[C@H]2CC=C[C@@H]1N(C(C)C)[C@H]2Cc1c[nH]c2ccccc12,C20H24N2,,292.193948768,SMPYGFGFKJAEJW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Aristotelia fruticosa,420800.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Elaeocarpaceae'],['Unknown'],['Aristotelia'],['Aristotelia fruticosa'],4,1,5.533688426017761 15750,2593,-1,,,,0.0,MS1_match,ZQZRMATWXNZXDA-RDTXWAMCSA-N,"InChI=1S/C19H24O7/c1-26-17-9-12(4-5-15(17)22)18(24)14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25/h4-5,7-9,14,18,20-25H,2-3,6,10H2,1H3/t14-,18-/m1/s1",COc1cc([C@@H](O)[C@H](CO)c2cc(CCCO)cc(O)c2O)ccc1O,C19H24O7,pos_1_1sodium,364.1522031079999,ZQZRMATWXNZXDA,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 15751,2591,-1,,,,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_1_1proton,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 15752,2590,-1,,,,0.0,MS1_match,VIADJLOEQRQBSO-IVJYHQGSSA-N,"InChI=1S/C33H40O19/c1-10-19(36)23(40)27(44)31(47-10)46-9-17-21(38)25(42)30(52-32-28(45)24(41)20(37)11(2)48-32)33(51-17)49-14-5-3-12(4-6-14)29-26(43)22(39)18-15(35)7-13(34)8-16(18)50-29/h3-8,10-11,17,19-21,23-25,27-28,30-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,27+,28+,30+,31+,32-,33+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(-c4oc5cc(O)cc(O)c5c(=O)c4O)cc3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,pos_1_1proton,740.21637906,VIADJLOEQRQBSO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,0,7.0 15753,2590,-1,,,,0.0,MS1_match,UYVBMGULWGRDQT-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O19,pos_1_1proton,740.21637906,UYVBMGULWGRDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,0,7.0 15754,2590,-1,,,,0.0,MS1_match,UYVBMGULWGRDQT-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O19,pos_1_1proton,740.21637906,UYVBMGULWGRDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus leptophylla,5763210.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus leptophylla'],7,0,7.0 15755,2590,-1,,,,0.0,MS1_match,UYVBMGULWGRDQT-KABOUGNXSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O19,pos_1_1proton,740.21637906,UYVBMGULWGRDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,0,7.0 15756,2590,-1,,,,0.0,MS1_match,UYVBMGULWGRDQT-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O19,pos_1_1proton,740.21637906,UYVBMGULWGRDQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,0,7.0 15757,2590,-1,,,,0.0,MS1_match,YZCAVCYYHPLAIN-RSAUJLRYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17-,19-,20-,22-,23+,24+,25+,26-,27-,28-,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](OC[C@@H]3O[C@@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2C)[C@H](O)[C@@H](O)[C@H]1O,C33H40O19,pos_1_1proton,740.21637906,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,0,7.0 15758,2590,-1,,,,0.0,MS1_match,YZCAVCYYHPLAIN-RSAUJLRYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17-,19-,20-,22-,23+,24+,25+,26-,27-,28-,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](OC[C@@H]3O[C@@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2C)[C@H](O)[C@@H](O)[C@H]1O,C33H40O19,pos_1_1proton,740.21637906,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],7,0,7.0 15759,2590,-1,,,,0.0,MS1_match,NBJVIDFSRVGUSN-PYOOKMAESA-N,"InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)32(48-10)52-30-20(37)11(2)47-31(28(30)45)46-9-17-21(38)24(41)27(44)33(51-17)49-14-5-3-12(4-6-14)29-25(42)22(39)18-15(35)7-13(34)8-16(18)50-29/h3-8,10-11,17,19-21,23-24,26-28,30-38,40-45H,9H2,1-2H3/t10-,11+,17-,19+,20+,21+,23+,24+,26-,27-,28-,30+,31-,32+,33-/m1/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(-c4oc5cc(O)cc(O)c5c(=O)c4O)cc3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,C33H40O19,pos_1_1proton,740.21637906,NBJVIDFSRVGUSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus thymifolius,6109563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus thymifolius'],7,0,7.0 15760,2590,-1,,,,0.0,MS1_match,NBJVIDFSRVGUSN-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)32(48-10)52-30-20(37)11(2)47-31(28(30)45)46-9-17-21(38)24(41)27(44)33(51-17)49-14-5-3-12(4-6-14)29-25(42)22(39)18-15(35)7-13(34)8-16(18)50-29/h3-8,10-11,17,19-21,23-24,26-28,30-38,40-45H,9H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4ccc(-c5oc6cc(O)cc(O)c6c(=O)c5O)cc4)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O19,pos_1_1proton,740.21637906,NBJVIDFSRVGUSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,0,7.0 15761,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 15762,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 15763,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 15764,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 15765,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 15766,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,8.5 15767,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 15768,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 15769,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 15770,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 15771,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 15772,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,8.5 15773,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 15774,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,3,8.5 15775,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Berchemia racemosa,3907801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia racemosa'],7,3,8.5 15776,2589,2972,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 15777,2588,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,GWDZRGQRNHELQM-VEKSOEEBSA-N,"InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16+,20+,22-,25+,27+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C27H36O12,pos_1_1proton1ammonium,552.220676592,GWDZRGQRNHELQM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,8.5 15778,2588,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,GWDZRGQRNHELQM-VEKSOEEBSA-N,"InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16+,20+,22-,25+,27+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C27H36O12,pos_1_1proton1ammonium,552.220676592,GWDZRGQRNHELQM,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,8.5 15779,2587,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15780,2587,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,0,8.0 15781,2587,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,0,8.0 15782,2587,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15783,2587,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,0,8.0 15784,2587,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1sodium,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15785,2586,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,0,8.0 15786,2586,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,0,8.0 15787,2586,-1,,,,0.0,MS1_match,DUBCCGAQYVUYEU-ZUGPOPFOSA-N,"InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.0747406359998,DUBCCGAQYVUYEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,0,8.0 15788,2584,2523,Polyketides,Naphthalenes,Naphthoquinones,0.7873181,ISDB,NMLGNCVBXAFWMT-UHFFFAOYSA-N,"InChI=1S/C14H8O6/c1-5-2-7(15)12-10(20-5)3-6-11(14(12)19)8(16)4-9(17)13(6)18/h2-4,17,19H,1H3",Cc1cc(=O)c2c(O)c3c(cc2o1)C(=O)C(O)=CC3=O,C14H8O6,,272.032087976,NMLGNCVBXAFWMT,Polyketides,Naphthalenes,Naphthoquinones,Lethariella sernanderi,375848.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Lethariella'],['Lethariella sernanderi'],1,3,5.649272441864014 15789,2584,2523,Polyketides,Naphthalenes,Naphthoquinones,0.7873181,ISDB,NMLGNCVBXAFWMT-UHFFFAOYSA-N,"InChI=1S/C14H8O6/c1-5-2-7(15)12-10(20-5)3-6-11(14(12)19)8(16)4-9(17)13(6)18/h2-4,17,19H,1H3",Cc1cc(=O)c2c(O)c3c(cc2o1)C(=O)C(O)=CC3=O,C14H8O6,,272.032087976,NMLGNCVBXAFWMT,Polyketides,Naphthalenes,Naphthoquinones,Lethariella canariensis,368273.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Lethariella'],['Lethariella canariensis'],1,3,5.649272441864014 15790,2583,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.79913384,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,12.696535348892212 15791,2582,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15792,2582,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15793,2582,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 15794,2582,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15795,2582,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15796,2582,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 15797,2582,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15798,2582,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 15799,2581,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 15800,2580,-1,,,,0.0,MS1_match,PUXKQFMZRYJBBE-ZJBBONHWSA-N,"InChI=1S/C27H30O14/c1-9(28)23-20(34)22(36)27(40-23)41-25-18(32)16-14(30)7-13(38-26-21(35)19(33)17(31)10(2)37-26)8-15(16)39-24(25)11-3-5-12(29)6-4-11/h3-10,17,19-23,26-31,33-36H,1-2H3/t9-,10+,17+,19-,20+,21-,22-,23-,26+,27+/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,PUXKQFMZRYJBBE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 15801,2580,-1,,,,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 15802,2580,-1,,,,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 15803,2578,-1,,,,0.4702058,ISDB,AFYNUVCDKLFCAU-PTDFUWQFSA-N,"InChI=1S/C28H36O5/c1-24-9-10-25(2,23(31)32-6)16-20(24)28(5)14-12-26(3)18-15-21(29)33-22(30)17(18)7-8-19(26)27(28,4)13-11-24/h7-8,15,20H,9-14,16H2,1-6H3/t20-,24-,25-,26+,27-,28+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C28H36O5,,452.256274252,AFYNUVCDKLFCAU,Terpenoids,Diterpenoids,,Reissantia indica,332602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Pristimera'],['Pristimera indica'],4,0,5.880823254585266 15804,2578,-1,,,,0.4702058,ISDB,AFYNUVCDKLFCAU-PTDFUWQFSA-N,"InChI=1S/C28H36O5/c1-24-9-10-25(2,23(31)32-6)16-20(24)28(5)14-12-26(3)18-15-21(29)33-22(30)17(18)7-8-19(26)27(28,4)13-11-24/h7-8,15,20H,9-14,16H2,1-6H3/t20-,24-,25-,26+,27-,28+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C28H36O5,,452.256274252,AFYNUVCDKLFCAU,Terpenoids,Diterpenoids,,Pleurostylia opposita,907103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Pleurostylia'],['Pleurostylia opposita'],4,0,5.880823254585266 15805,2578,-1,,,,0.4702058,ISDB,AFYNUVCDKLFCAU-PTDFUWQFSA-N,"InChI=1S/C28H36O5/c1-24-9-10-25(2,23(31)32-6)16-20(24)28(5)14-12-26(3)18-15-21(29)33-22(30)17(18)7-8-19(26)27(28,4)13-11-24/h7-8,15,20H,9-14,16H2,1-6H3/t20-,24-,25-,26+,27-,28+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C28H36O5,,452.256274252,AFYNUVCDKLFCAU,Terpenoids,Diterpenoids,,Elaeodendron balae,6092544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Elaeodendron'],['Elaeodendron balae'],4,0,5.880823254585266 15806,2578,-1,,,,0.4702058,ISDB,AFYNUVCDKLFCAU-PTDFUWQFSA-N,"InChI=1S/C28H36O5/c1-24-9-10-25(2,23(31)32-6)16-20(24)28(5)14-12-26(3)18-15-21(29)33-22(30)17(18)7-8-19(26)27(28,4)13-11-24/h7-8,15,20H,9-14,16H2,1-6H3/t20-,24-,25-,26+,27-,28+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C28H36O5,,452.256274252,AFYNUVCDKLFCAU,Terpenoids,Diterpenoids,,Gymnosporia emarginata,35854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Gymnosporia'],['Gymnosporia inermis'],4,0,5.880823254585266 15807,2578,-1,,,,0.4702058,ISDB,AFYNUVCDKLFCAU-PTDFUWQFSA-N,"InChI=1S/C28H36O5/c1-24-9-10-25(2,23(31)32-6)16-20(24)28(5)14-12-26(3)18-15-21(29)33-22(30)17(18)7-8-19(26)27(28,4)13-11-24/h7-8,15,20H,9-14,16H2,1-6H3/t20-,24-,25-,26+,27-,28+/m1/s1",COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1,C28H36O5,,452.256274252,AFYNUVCDKLFCAU,Terpenoids,Diterpenoids,,Kokoona zeylanica,6092887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Kokoona'],['Kokoona zeylanica'],4,0,5.880823254585266 15808,2576,-1,,,,0.57237077,ISDB,XLUHSPYVUOVWRM-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3",CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=C(O)C2=O,C20H26O3,,314.188194692,XLUHSPYVUOVWRM,Terpenoids,Diterpenoids,Abietane diterpenoids,Cephalotaxus harringtonia,10224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Cephalotaxus'],['Cephalotaxus harringtonia'],5,0,7.289483070373535 15809,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15810,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 15811,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 15812,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15813,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 15814,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 15815,2575,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1sodium,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15816,2575,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1sodium,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15817,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 15818,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],8,0,8.0 15819,2575,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],8,0,8.0 15820,2574,-1,,,,0.7646318,ISDB,BFPJOJFVZXWMSM-QWWQXMGCSA-N,"InChI=1S/C32H26O10/c1-39-19-9-5-16(6-10-19)32-28(30(38)26-22(36)13-20(40-2)14-24(26)42-32)27-29(37)25-21(35)11-18(34)12-23(25)41-31(27)15-3-7-17(33)8-4-15/h3-14,27-28,31-36H,1-2H3/t27-,28-,31-,32-/m1/s1",COc1ccc([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1,C32H26O10,,570.152597032,BFPJOJFVZXWMSM,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Stellera chamaejasme,191882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Stellera'],['Stellera chamaejasme'],0,0,3.0585272312164307 15821,2573,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus virginiana,78161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus virginiana'],6,3,7.5 15822,2573,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],6,3,7.5 15823,2573,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus taxifolia,150471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus taxifolia'],6,3,7.5 15824,2573,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus rigida,883812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus rigida'],6,3,7.5 15825,2573,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus comitana,517875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus comitana'],6,3,7.5 15826,2573,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juniperus gamboana,517883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus deppeana'],6,3,7.5 15827,2572,-1,,,,0.4757148,ISDB,UCTUGQCJSNXNNR-URKRHJQISA-N,"InChI=1S/C34H24O22/c35-6-16-23(44)28(55-30(46)7-1-11(36)19(40)12(37)2-7)29(34(50)52-16)56-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34?/m1/s1",O=C(O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34)c1cc(O)c(O)c(O)c1,C34H24O22,,784.0759224080002,UCTUGQCJSNXNNR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Oenothera glazioviana,891449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Onagraceae'],['Onagreae'],['Oenothera'],['Oenothera glazioviana'],4,0,5.902859210968018 15828,2572,-1,,,,0.4757148,ISDB,UCTUGQCJSNXNNR-URKRHJQISA-N,"InChI=1S/C34H24O22/c35-6-16-23(44)28(55-30(46)7-1-11(36)19(40)12(37)2-7)29(34(50)52-16)56-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34?/m1/s1",O=C(O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34)c1cc(O)c(O)c(O)c1,C34H24O22,,784.0759224080002,UCTUGQCJSNXNNR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Oenothera erythrosepala,891449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Onagraceae'],['Onagreae'],['Oenothera'],['Oenothera glazioviana'],4,0,5.902859210968018 15829,2572,-1,,,,0.4757148,ISDB,UCTUGQCJSNXNNR-URKRHJQISA-N,"InChI=1S/C34H24O22/c35-6-16-23(44)28(55-30(46)7-1-11(36)19(40)12(37)2-7)29(34(50)52-16)56-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34?/m1/s1",O=C(O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34)c1cc(O)c(O)c(O)c1,C34H24O22,,784.0759224080002,UCTUGQCJSNXNNR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],4,0,5.902859210968018 15830,2572,-1,,,,0.4757148,ISDB,UCTUGQCJSNXNNR-FEGNPHFYSA-N,"InChI=1S/C34H24O22/c35-6-16-23(44)28(55-30(46)7-1-11(36)19(40)12(37)2-7)29(34(50)52-16)56-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34-/m1/s1",O=C(O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34)c1cc(O)c(O)c(O)c1,C34H24O22,,784.075922408,UCTUGQCJSNXNNR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Oenothera laciniata,577645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Onagraceae'],['Onagreae'],['Oenothera'],['Oenothera laciniata'],4,0,5.902859210968018 15831,2572,-1,,,,0.4757148,ISDB,UCTUGQCJSNXNNR-URKRHJQISA-N,"InChI=1S/C34H24O22/c35-6-16-23(44)28(55-30(46)7-1-11(36)19(40)12(37)2-7)29(34(50)52-16)56-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34?/m1/s1",O=C(O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34)c1cc(O)c(O)c(O)c1,C34H24O22,,784.0759224080002,UCTUGQCJSNXNNR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Syzygium cumini,380002.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium cumini'],4,0,5.902859210968018 15832,2572,-1,,,,0.4757148,ISDB,UCTUGQCJSNXNNR-URKRHJQISA-N,"InChI=1S/C34H24O22/c35-6-16-23(44)28(55-30(46)7-1-11(36)19(40)12(37)2-7)29(34(50)52-16)56-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34?/m1/s1",O=C(O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34)c1cc(O)c(O)c(O)c1,C34H24O22,,784.0759224080002,UCTUGQCJSNXNNR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Myrcia splendens,413888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Myrcia'],['Myrcia splendens'],4,0,5.902859210968018 15833,2571,759,Alkaloids,Ornithine alkaloids,Polyamines,0.6516283,ISDB,SFMLRCDOOPCKCM-VOMDNODZSA-N,"InChI=1S/C25H31N3O4/c26-16-1-2-18-28(25(32)15-9-21-6-12-23(30)13-7-21)19-3-17-27-24(31)14-8-20-4-10-22(29)11-5-20/h4-15,29-30H,1-3,16-19,26H2,(H,27,31)/b14-8+,15-9+",NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C25H31N3O4,,437.231456472,SFMLRCDOOPCKCM,Alkaloids,Ornithine alkaloids,Polyamines,Pterocarya fraxinifolia,101820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Pterocarya'],['Pterocarya fraxinifolia'],5,3,9.106513261795044 15834,2569,-1,,,,0.7238664,ISDB,BKOHSGMZMRELEA-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(O)c1OC,C11H14O4,,210.089208928,BKOHSGMZMRELEA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ferula sinaica,3888325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Ferula'],['Ferula sinaica'],3,0,5.895465612411499 15835,2568,-1,,,,0.0,MS1_match,YTNIUPZRMQLHNV-XSIUSZODSA-N,"InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C25H44N2,pos_2_2proton,372.350449408,YTNIUPZRMQLHNV,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 15836,2566,502,Shikimates and Phenylpropanoids,Isoflavonoids,Azaphilones,0.54501617,ISDB,GLPDBGACWOZVNL-ZETCQYMHSA-N,"InChI=1S/C9H8O4/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-3,7,10-11H,4H2/t7-/m0/s1",O=C1c2ccc(O)cc2OC[C@@H]1O,C9H8O4,,180.042258736,GLPDBGACWOZVNL,Shikimates and Phenylpropanoids,Isoflavonoids,,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],4,2,7.180064678192139 15837,2565,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6845529,ISDB,BXWMZVREXWPYKF-AWEZNQCLSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3/t14-/m0/s1",COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,10.238211631774902 15838,2565,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6845529,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,10.238211631774902 15839,2565,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6845529,ISDB,BXWMZVREXWPYKF-AWEZNQCLSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3/t14-/m0/s1",COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Neolitsea dealbata,893264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea dealbata'],6,3,10.238211631774902 15840,2565,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6845529,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,3,10.238211631774902 15841,2565,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6845529,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,10.238211631774902 15842,2563,2621,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 15843,2563,2621,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 15844,2559,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,1,6.5 15845,2558,-1,,,,0.0,MS1_match,JTAXUBKTCAOMTN-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,9,12,14,16-18,21H,5-6,8,10-11,13H2,1-4H3/t16-,17-,18-,19-,20+/m0/s1",CC(C)C1=C[C@@H]2C=C[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,pos_1_minus1proton1iron,288.245315644,JTAXUBKTCAOMTN,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 15846,2558,-1,,,,0.0,MS1_match,GQRUHVMVWNKUFW-LWYYNNOASA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,pos_1_minus1proton1iron,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,0,6.0 15847,2558,-1,,,,0.0,MS1_match,GQRUHVMVWNKUFW-LWYYNNOASA-N,"InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1,C20H32O,pos_1_minus1proton1iron,288.245315644,GQRUHVMVWNKUFW,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 15848,2558,-1,,,,0.0,MS1_match,DUEINKIQNGZKPL-VYJAJWGXSA-N,"InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(CO)CCC[C@]23C)C1,C20H32O,pos_1_minus1proton1iron,288.245315644,DUEINKIQNGZKPL,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 15849,2556,2278,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9092345,ISDB,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,14.136938095092773 15850,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,9.6196608543396 15851,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cola nitida,550770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Cola'],['Cola nitida'],6,3,9.6196608543396 15852,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,9.6196608543396 15853,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,9.6196608543396 15854,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,9.6196608543396 15855,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cryptocarya obovata,706090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya obovata'],6,3,9.6196608543396 15856,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.6196608543396 15857,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,9.6196608543396 15858,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,9.6196608543396 15859,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,3,9.6196608543396 15860,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.6196608543396 15861,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cola acuminata,1053097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Cola'],['Cola acuminata'],6,3,9.6196608543396 15862,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.6196608543396 15863,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Guazuma ulmifolia,526994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Guazuma'],['Guazuma ulmifolia'],6,3,9.6196608543396 15864,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,9.6196608543396 15865,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,3,9.6196608543396 15866,2555,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5299152,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,9.6196608543396 15867,2554,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 15868,2553,-1,,,,0.60676557,ISDB,NIERWTDCCGPRCQ-ZFVALMAISA-N,"InChI=1S/C21H32O9/c1-9-16(30-18-15(26)14(25)13(24)11(7-22)29-18)10-6-19(2,8-23)17(27)12(10)20(3,28)21(9)4-5-21/h10-15,18,22-26,28H,4-8H2,1-3H3/t10?,11-,12-,13-,14+,15-,18+,19+,20+/m1/s1",CC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C[C@@](C)(CO)C(=O)[C@@H]2[C@](C)(O)C12CC2,C21H32O9,,428.204632604,NIERWTDCCGPRCQ,Terpenoids,Sesquiterpenoids,Illudane sesquiterpenoids,Pteridium aquilinum,195639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Dennstaedtiaceae'],['Unknown'],['Pteridium'],['Pteridium aquilinum'],3,0,5.427062273025513 15869,2553,-1,,,,0.60676557,ISDB,NIERWTDCCGPRCQ-ZFVALMAISA-N,"InChI=1S/C21H32O9/c1-9-16(30-18-15(26)14(25)13(24)11(7-22)29-18)10-6-19(2,8-23)17(27)12(10)20(3,28)21(9)4-5-21/h10-15,18,22-26,28H,4-8H2,1-3H3/t10?,11-,12-,13-,14+,15-,18+,19+,20+/m1/s1",CC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C[C@@](C)(CO)C(=O)[C@@H]2[C@](C)(O)C12CC2,C21H32O9,,428.204632604,NIERWTDCCGPRCQ,Terpenoids,Sesquiterpenoids,Illudane sesquiterpenoids,Pteridium caudatum,98414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Dennstaedtiaceae'],['Unknown'],['Pteridium'],['Pteridium caudatum'],3,0,5.427062273025513 15870,2552,-1,,,,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1sodium,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15871,2552,-1,,,,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1sodium,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15872,2552,-1,,,,0.0,MS1_match,DLIKSSGEMUFQOK-HGAFHURDSA-N,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O10,pos_1_1sodium,434.121296904,DLIKSSGEMUFQOK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15873,2551,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_2MNa,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercis canadensis,606503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Cercis'],['Cercis canadensis'],8,0,8.0 15874,2551,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_2MNa,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercis canadensis,606503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Cercis'],['Cercis canadensis'],8,0,8.0 15875,2551,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_2MNa,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercis canadensis,606503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Cercis'],['Cercis canadensis'],8,0,8.0 15876,2550,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.59841543,ISDB,YTNIUPZRMQLHNV-XSIUSZODSA-N,"InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C25H44N2,,372.350449408,YTNIUPZRMQLHNV,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,8.393661737442017 15877,2548,-1,,,,0.0,MS1_match,PYUKAYSOPGHAEP-BAGAXAAKSA-N,"InChI=1S/C27H46N2O2/c1-17(29(5)6)22-18(30)13-25(4)20-8-7-19-23(2)15-31-16-28-21(23)9-10-26(19)14-27(20,26)12-11-24(22,25)3/h17-22,28,30H,7-16H2,1-6H3/t17-,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C27H46N2O2,pos_2_2proton,430.355928712,PYUKAYSOPGHAEP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15878,2547,2155,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9433747,ISDB,YNMFDPCLPIMRFD-XTXTUNRQSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18-,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159998,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,3,11.273498773574829 15879,2545,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IPKKOHWMHMKNLP-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(27-6)20-13-15-26(5)22-10-9-21-18(8-11-23(28-7)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23,27-28H,8-11,13-15H2,1-7H3",CNC(C)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(NC)C4(C)C,C26H44N2,pos_2_2proton,384.350449408,IPKKOHWMHMKNLP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15880,2545,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLRWQHLWCXUJEL-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3",CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C,C26H44N2,pos_2_2proton,384.350449408,JLRWQHLWCXUJEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15881,2545,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVGUDMTZIJXYDY-XSWJKVCQSA-N,"InChI=1S/C26H44N2/c1-17(27)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(28(6)7)24(21,2)3/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3/t17-,20+,21+,22+,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2,pos_2_2proton,384.350449408,UVGUDMTZIJXYDY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15882,2544,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.84970975,ISDB,GCWMEFUMPZHUFF-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-5-1-10(20)12-11(2-5)23-15(14(22)13(12)21)6-3-8(18)9(19)4-7(6)17/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,GCWMEFUMPZHUFF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Distemonanthus benthamianus,804306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Distemonanthus'],['Distemonanthus benthamianus'],6,3,10.898838996887207 15883,2543,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 15884,2543,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 15885,2542,1592,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5381952,ISDB,JLRWQHLWCXUJEL-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3",CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C,C26H44N2,,384.350449408,JLRWQHLWCXUJEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.652780771255493 15886,2540,-1,,,,0.0,MS1_match,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 15887,2540,-1,,,,0.0,MS1_match,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],6,0,6.0 15888,2540,-1,,,,0.0,MS1_match,NIABBGMPPWXWOJ-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)41-23-17(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-22(14)24(21(23)37)42-25-19(35)15(31)11(30)7-38-25/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2",O=c1cc(-c2ccc(O)cc2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12,C26H28O16,pos_1_1sodium,596.1377348159998,NIABBGMPPWXWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Potentilla anserina,328270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla anserina'],6,0,6.0 15889,2540,-1,,,,0.0,MS1_match,ZFGBNYDDAJMWAZ-DGBSRBSYSA-N,"InChI=1S/C26H28O16/c27-6-14-17(32)21(36)25(40-14)38-7-15-18(33)20(35)22(37)26(41-15)42-24-19(34)16-12(31)4-9(28)5-13(16)39-23(24)8-1-2-10(29)11(30)3-8/h1-5,14-15,17-18,20-22,25-33,35-37H,6-7H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.137734816,ZFGBNYDDAJMWAZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,0,6.0 15890,2540,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-XTXTUNRQSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18-,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.1377348159998,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,0,6.0 15891,2540,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-XTXTUNRQSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18-,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.1377348159998,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,0,6.0 15892,2540,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-XTXTUNRQSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18-,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.1377348159998,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,0,6.0 15893,2539,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],6,0,6.0 15894,2539,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],6,0,6.0 15895,2539,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],6,0,6.0 15896,2539,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],6,0,6.0 15897,2538,931,Terpenoids,Sesquiterpenoids,Aminosugars,0.25002268,ISDB,XFACIJUJGNMSOZ-KIQJQBDGSA-N,"InChI=1S/C31H42O13/c1-15(28(39)41-3)19-10-11-31(2)22(44-29(40)20(34)12-16-4-7-18(33)8-5-16)9-6-17(23(31)24(19)35)14-42-30-27(38)26(37)25(36)21(13-32)43-30/h4-8,19-27,30,32-38H,1,9-14H2,2-3H3/t19-,20+,21+,22+,23+,24-,25+,26-,27+,30+,31-/m0/s1",C=C(C(=O)OC)[C@@H]1CC[C@]2(C)[C@H](C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC[C@H]2OC(=O)[C@H](O)Cc2ccc(O)cc2)[C@H]1O,C31H42O13,,622.262541404,XFACIJUJGNMSOZ,Terpenoids,Sesquiterpenoids,,Ixeris repens,16894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeris'],['Ixeris repens'],3,2,5.000090718269348 15898,2535,646,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.60130376,ISDB,,,,,,,DQWGZHFKRYCJOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.40521502494812 15899,2532,2210,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.4175901,ISDB,QVZOWZDCVPBRHM-UHFFFAOYSA-N,"InChI=1S/C17H27N/c1-2-3-4-5-6-7-10-15-11-8-13-17-16(15)12-9-14-18-17/h8,11,13,18H,2-7,9-10,12,14H2,1H3",CCCCCCCCc1cccc2c1CCCN2,C17H27N,,245.214349864,QVZOWZDCVPBRHM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Streptomyces nigrescens,153062.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces nigrescens'],0,3,3.1703604459762573 15900,2531,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2686724,ISDB,QMAXAPBSRWWXAO-DFMRKAGKSA-N,"InChI=1S/C30H52O8/c1-16(2)27(35)38-26-21(37-28-25(34)24(33)23(32)19(5)36-28)15-30(8)20(11-9-17(3)13-14-31)18(4)10-12-22(30)29(26,6)7/h10,16-17,19-26,28,31-34H,9,11-15H2,1-8H3/t17-,19-,20+,21-,22+,23+,24+,25-,26+,28+,30-/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](OC(=O)C(C)C)[C@@H](O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@]2(C)[C@@H]1CC[C@H](C)CCO,C30H52O8,,540.366218624,QMAXAPBSRWWXAO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis douglasii,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],4,0,5.074689626693726 15901,2531,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2686724,ISDB,QMAXAPBSRWWXAO-DFMRKAGKSA-N,"InChI=1S/C30H52O8/c1-16(2)27(35)38-26-21(37-28-25(34)24(33)23(32)19(5)36-28)15-30(8)20(11-9-17(3)13-14-31)18(4)10-12-22(30)29(26,6)7/h10,16-17,19-26,28,31-34H,9,11-15H2,1-8H3/t17-,19-,20+,21-,22+,23+,24+,25-,26+,28+,30-/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](OC(=O)C(C)C)[C@@H](O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@]2(C)[C@@H]1CC[C@H](C)CCO,C30H52O8,,540.366218624,QMAXAPBSRWWXAO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,0,5.074689626693726 15902,2531,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2686724,ISDB,QMAXAPBSRWWXAO-DFMRKAGKSA-N,"InChI=1S/C30H52O8/c1-16(2)27(35)38-26-21(37-28-25(34)24(33)23(32)19(5)36-28)15-30(8)20(11-9-17(3)13-14-31)18(4)10-12-22(30)29(26,6)7/h10,16-17,19-26,28,31-34H,9,11-15H2,1-8H3/t17-,19-,20+,21-,22+,23+,24+,25-,26+,28+,30-/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](OC(=O)C(C)C)[C@@H](O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@]2(C)[C@@H]1CC[C@H](C)CCO,C30H52O8,,540.366218624,QMAXAPBSRWWXAO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis glutinosa,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],4,0,5.074689626693726 15903,2531,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2686724,ISDB,QMAXAPBSRWWXAO-DFMRKAGKSA-N,"InChI=1S/C30H52O8/c1-16(2)27(35)38-26-21(37-28-25(34)24(33)23(32)19(5)36-28)15-30(8)20(11-9-17(3)13-14-31)18(4)10-12-22(30)29(26,6)7/h10,16-17,19-26,28,31-34H,9,11-15H2,1-8H3/t17-,19-,20+,21-,22+,23+,24+,25-,26+,28+,30-/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](OC(=O)C(C)C)[C@@H](O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@]2(C)[C@@H]1CC[C@H](C)CCO,C30H52O8,,540.366218624,QMAXAPBSRWWXAO,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pingraea,3898912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis angustifolia'],4,0,5.074689626693726 15904,2531,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.2686724,ISDB,QMAXAPBSRWWXAO-DFMRKAGKSA-N,"InChI=1S/C30H52O8/c1-16(2)27(35)38-26-21(37-28-25(34)24(33)23(32)19(5)36-28)15-30(8)20(11-9-17(3)13-14-31)18(4)10-12-22(30)29(26,6)7/h10,16-17,19-26,28,31-34H,9,11-15H2,1-8H3/t17-,19-,20+,21-,22+,23+,24+,25-,26+,28+,30-/m0/s1",CC1=CC[C@@H]2C(C)(C)[C@H](OC(=O)C(C)C)[C@@H](O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@]2(C)[C@@H]1CC[C@H](C)CCO,C30H52O8,,540.366218624,QMAXAPBSRWWXAO,Terpenoids,Diterpenoids,Labdane diterpenoids,Gymnosperma glutinosum,19538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gymnosperma'],['Gymnosperma glutinosum'],4,0,5.074689626693726 15905,2530,-1,,,,0.0,MS1_match,RSVYNBKMYRAROU-RHFQGWMVSA-N,"InChI=1S/C34H50N2O2/c1-23(36(6)7)27-18-20-34(4)29-15-14-28-25(21-26(29)17-19-33(27,34)3)13-16-30(35-5)32(28,2)22-38-31(37)24-11-9-8-10-12-24/h8-12,17,21,23,27-30,35H,13-16,18-20,22H2,1-7H3/t23-,27+,28+,29+,30-,32-,33+,34-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)COC(=O)c1ccccc1,C34H50N2O2,pos_2_1magnesium,518.38722884,RSVYNBKMYRAROU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,7.0 15906,2526,985,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.29547366,ISDB,CUUFUIWPYJIJGQ-RYUDHWBXSA-N,"InChI=1S/C15H22O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,8,11-12H,4-5,7,9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1",CC(C)=CC(=O)C[C@H](C)[C@H]1CC=C(C(=O)O)CC1,C15H22O3,,250.156894564,CUUFUIWPYJIJGQ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,1,7.681894659996033 15907,2525,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.35505882,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,3,8.920235276222229 15908,2525,528,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.35505882,ISDB,KGKQKGYHFBZNEI-STQMWFEESA-N,"InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O,C15H20O2,,232.14632988,KGKQKGYHFBZNEI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,3,8.920235276222229 15909,2524,1386,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.708066,ISDB,DZBDDACPJRFJGO-NXBFSHDWSA-N,"InChI=1S/C19H34N2O2/c1-13-9-14(11-16-5-3-4-8-21(16)2)17-7-6-15(12-19(22)23)20-18(17)10-13/h13-18,20H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,17+,18-/m1/s1",C[C@@H]1C[C@@H](C[C@@H]2CCCCN2C)[C@@H]2CC[C@@H](CC(=O)O)N[C@@H]2C1,C19H34N2O2,,322.262028328,DZBDDACPJRFJGO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lycopodiella cernua,429356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Palhinhaea'],['Palhinhaea cernua'],3,3,7.332263946533203 15910,2523,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7888272,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus,424333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Unknown'],6,3,10.655308723449707 15911,2523,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7888272,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,10.655308723449707 15912,2520,-1,,,,0.20827755,ISDB,HZYTZSZMIQQMFA-HEHNFIMWSA-N,"InChI=1S/C25H31NO2/c1-20(2)8-7-9-21(3)17-19-28-24-14-12-22(13-15-24)16-18-26-25(27)23-10-5-4-6-11-23/h4-6,8,10-15,17H,7,9,16,18-19H2,1-3H3,(H,26,27)/b21-17+",CC(C)=CCC/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1,C25H31NO2,,377.235479232,HZYTZSZMIQQMFA,,,,Swinglea glutinosa,232711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Swinglea'],['Swinglea glutinosa'],4,0,4.833110213279724 15913,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-GFCCVEGCSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m1/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,0,7.012986660003662 15914,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pilocarpus riedelianus,6125579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Pilocarpus'],['Pilocarpus riedelianus'],4,0,7.012986660003662 15915,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus,266228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Unknown'],4,0,7.012986660003662 15916,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lithraea molleoides,556811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Lithrea'],['Lithrea molleoides'],4,0,7.012986660003662 15917,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,0,7.012986660003662 15918,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Schinus molle,411495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Schinus'],['Schinus molle'],4,0,7.012986660003662 15919,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cleistopholis patens,3867599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cleistopholis'],['Cleistopholis patens'],4,0,7.012986660003662 15920,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Bupleurum acutifolium,884713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum acutifolium'],4,0,7.012986660003662 15921,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,0,7.012986660003662 15922,2519,-1,,,,0.75324667,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,0,7.012986660003662 15923,2518,2669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1sodium,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 15924,2517,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.58564943,ISDB,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,10.842597723007202 15925,2517,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.58564943,ISDB,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,10.842597723007202 15926,2517,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.58564943,ISDB,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,10.842597723007202 15927,2513,1460,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NHTXVOKRJSZBJV-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(32)15-26(4)21-10-9-20-24(2,17-31)22(30(7)8)11-12-27(20)16-28(21,27)14-13-25(23,26)3/h9-10,18-23,31-32H,11-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_2_2proton,444.371578776,NHTXVOKRJSZBJV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15928,2513,1460,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QOBZCZYZWSKHNJ-BAFQVELBSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)25-23(32)16-28(4)22-11-10-21-19(15-20(22)13-14-27(25,28)3)9-12-24(30(7)8)26(21,2)17-31/h13,15,18,21-25,31-32H,9-12,14,16-17H2,1-8H3/t18-,21+,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@]4(C)CO)N(C)C,C28H48N2O2,pos_2_2proton,444.371578776,QOBZCZYZWSKHNJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15929,2513,1460,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GGYRCIQGXDJUPI-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(31)14-26(4)21-9-8-20-24(2)16-32-17-30(7)22(24)10-11-27(20)15-28(21,27)13-12-25(23,26)3/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_2_2proton,444.371578776,GGYRCIQGXDJUPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15930,2511,985,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,SPNCPJHJJONRPM-YKSJTIPHSA-N,"InChI=1S/C32H50O5/c1-20(2)24-10-11-27-26(30(24,5)15-14-28(34)36-8)13-17-31(6)25(12-16-32(27,31)7)21(3)18-23(33)19-22(4)29(35)37-9/h11,21-22,24-26H,1,10,12-19H2,2-9H3/t21-,22-,24+,25-,26-,30+,31-,32+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)OC,C32H50O5,pos_2_1magnesium,514.3658246999998,SPNCPJHJJONRPM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,7.5 15931,2503,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DLPHGNHSDIDDPI-KBVVDYDXSA-N,"InChI=1S/C27H44N2O/c1-17-24-22(30-16-29(17)7)15-27(5)21-10-9-20-18(8-11-23(28-6)25(20,2)3)14-19(21)12-13-26(24,27)4/h12,14,17,20-24,28H,8-11,13,15-16H2,1-7H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]5[C@@H](C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)OCN(C)[C@H]5C,C27H44N2O,pos_1_1proton1methanol,412.345364028,DLPHGNHSDIDDPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15932,2503,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QOBZCZYZWSKHNJ-BAFQVELBSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)25-23(32)16-28(4)22-11-10-21-19(15-20(22)13-14-27(25,28)3)9-12-24(30(7)8)26(21,2)17-31/h13,15,18,21-25,31-32H,9-12,14,16-17H2,1-8H3/t18-,21+,22+,23-,24-,25-,26+,27+,28-/m0/s1",C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@]4(C)CO)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,QOBZCZYZWSKHNJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15933,2503,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NHTXVOKRJSZBJV-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(32)15-26(4)21-10-9-20-24(2,17-31)22(30(7)8)11-12-27(20)16-28(21,27)14-13-25(23,26)3/h9-10,18-23,31-32H,11-17H2,1-8H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,NHTXVOKRJSZBJV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15934,2503,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PKXJWGJRRLLOMM-LCQYJTQBSA-N,"InChI=1S/C27H44N2O/c1-17(29-18(2)30)21-13-15-27(6)23-10-9-22-19(8-11-24(28-7)25(22,3)4)16-20(23)12-14-26(21,27)5/h12,16-17,21-24,28H,8-11,13-15H2,1-7H3,(H,29,30)/t17-,21+,22-,23+,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)NC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@H]2C1(C)C,C27H44N2O,pos_1_1proton1methanol,412.345364028,PKXJWGJRRLLOMM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15935,2503,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WQJGXMIIUOPURY-OROJKWBISA-N,"InChI=1S/C27H44N2O/c1-18(29(5)6)21-12-14-27(4)23-9-8-22-19(15-20(23)11-13-26(21,27)3)7-10-24-25(22,2)16-30-17-28-24/h11,15,18,21-24,28H,7-10,12-14,16-17H2,1-6H3/t18-,21+,22+,23+,24-,25-,26+,27-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@]14C)N(C)C,C27H44N2O,pos_1_1proton1methanol,412.345364028,WQJGXMIIUOPURY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15936,2503,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GGYRCIQGXDJUPI-QXDCFKDYSA-N,"InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(31)14-26(4)21-9-8-20-24(2)16-32-17-30(7)22(24)10-11-27(20)15-28(21,27)13-12-25(23,26)3/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H48N2O2,pos_1_1proton,444.371578776,GGYRCIQGXDJUPI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15937,2503,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ethylamine,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15938,2502,2210,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.34863436,ISDB,CXMUQCRSSKJBHD-NCZFFCEISA-N,"InChI=1S/C16H25N/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12H,5-7,9,11H2,1-4H3/b15-10+,16-12+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC#N,C16H25N,,231.1986998,CXMUQCRSSKJBHD,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,5.394537448883057 15939,2501,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,pos_2_2proton,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15940,2499,314,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.7812337,ISDB,BFCPRIFFJUHFAD-UHFFFAOYSA-N,"InChI=1S/C14H24N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",O=C(NC1CCCCC1)C(=O)NC1CCCCC1,C14H24N2O2,,252.183778008,BFCPRIFFJUHFAD,,,,Toddalia asiatica,232693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Toddalia'],['Toddalia asiatica'],4,0,7.124934911727905 15941,2498,-1,,,,0.6263803,ISDB,XQDFUPVITSTOSR-GFCCVEGCSA-N,"InChI=1S/C13H22N2O2/c1-8(2)6-10-7-14-11(13(16)15-10)12(17-5)9(3)4/h7-9,12H,6H2,1-5H3,(H,15,16)/t12-/m1/s1",CO[C@@H](c1ncc(CC(C)C)[nH]c1=O)C(C)C,C13H22N2O2,,238.168127944,XQDFUPVITSTOSR,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Aspergillus ochraceus,283734.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus ochraceus'],1,0,3.505521297454834 15942,2497,-1,,,,0.0,MS1_match,RJNWIZNQHVCLDL-AENRXNTRSA-N,"InChI=1S/C28H50N2/c1-19(29(6)7)20-12-14-26(5)22-11-10-21-24(2,3)23(30(8)9)13-15-27(21)18-28(22,27)17-16-25(20,26)4/h19-23H,10-18H2,1-9H3/t19-,20+,21-,22-,23-,25+,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C28H50N2,pos_2_1calcium,414.3973996,RJNWIZNQHVCLDL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15943,2496,1592,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5051067,ISDB,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.520426750183105 15944,2495,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2proton2acetonitrile,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 15945,2495,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2proton2acetonitrile,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 15946,2495,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2proton2acetonitrile,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 15947,2495,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_2_2proton2acetonitrile,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 15948,2494,759,Alkaloids,Ornithine alkaloids,Polyamines,0.6027517,ISDB,SFMLRCDOOPCKCM-VOMDNODZSA-N,"InChI=1S/C25H31N3O4/c26-16-1-2-18-28(25(32)15-9-21-6-12-23(30)13-7-21)19-3-17-27-24(31)14-8-20-4-10-22(29)11-5-20/h4-15,29-30H,1-3,16-19,26H2,(H,27,31)/b14-8+,15-9+",NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C25H31N3O4,,437.231456472,SFMLRCDOOPCKCM,Alkaloids,Ornithine alkaloids,Polyamines,Pterocarya fraxinifolia,101820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Pterocarya'],['Pterocarya fraxinifolia'],5,3,8.911006689071655 15949,2488,1293,Terpenoids,Diterpenoids,pteridine alkaloids,0.0,MS1_match,IYXKFHZDYXAAFO-PBUPUVDDSA-N,"InChI=1S/C20H34O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h13,15-16,23H,6-12H2,1-5H3,(H,21,22)/b14-13+/t15-,16+,19-,20+/m0/s1",C/C(=C\C(=O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,C20H34O3,pos_2MFe,322.250794948,IYXKFHZDYXAAFO,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,2,7.0 15950,2488,1293,Terpenoids,Diterpenoids,pteridine alkaloids,0.0,MS1_match,NSRKLZRKJJQJLD-YESPVIGUSA-N,"InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16+,17-,19-,20+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC[C@@H](C)CCO,C20H34O3,pos_2MFe,322.250794948,NSRKLZRKJJQJLD,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,2,7.0 15951,2488,1293,Terpenoids,Diterpenoids,pteridine alkaloids,0.0,MS1_match,UFSBKIDLLGCBLW-QQBOBMDFSA-N,"InChI=1S/C20H34O3/c1-6-15(10-13-23-5)17-14(2)8-9-16-19(17,3)11-7-12-20(16,4)18(21)22/h15-17H,2,6-13H2,1,3-5H3,(H,21,22)/t15-,16+,17+,19-,20+/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1[C@H](CC)CCOC,C20H34O3,pos_2MFe,322.250794948,UFSBKIDLLGCBLW,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,2,7.0 15952,2487,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5009697,ISDB,BOCSYQUEXFEPBU-VGKDHJGOSA-N,"InChI=1S/C25H42N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h9,16,18-20,22-23H,7-8,10-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,22-,23-,24-,25+/m0/s1",CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1,C25H42N2O,,386.329713964,BOCSYQUEXFEPBU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,9.503878831863403 15953,2486,755,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5557569,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,12.72302770614624 15954,2485,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.34757075,ISDB,PBYRKMXDROOXMU-KCXYZFMFSA-N,"InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38+,40-,41-,42-,43-,44-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C45H38O18,,866.2058143760003,PBYRKMXDROOXMU,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Guazuma ulmifolia,526994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Guazuma'],['Guazuma ulmifolia'],6,3,8.890282988548279 15955,2484,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.48835805,ISDB,WBRSQEIGSGETTN-HBYOWOEDSA-N,"InChI=1S/C38H50O4/c1-24(2)15-17-27-21-37-22-28-19-20-34(5,6)23-36(28,9)42-32(37)29(18-16-25(3)4)31(40)38(33(37)41,35(27,7)8)30(39)26-13-11-10-12-14-26/h10-16,27-28H,17-23H2,1-9H3/t27-,28-,36+,37-,38-/m0/s1",CC(C)=CCC1=C2O[C@]3(C)CC(C)(C)CC[C@H]3C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccccc2)(C1=O)C3=O,C38H50O4,,570.37091008,WBRSQEIGSGETTN,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Clusia obdeltifolia,6099461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Clusieae'],['Clusia'],['Clusia obdeltifolia'],4,0,5.953432202339172 15956,2483,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.6991369,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.296547651290894 15957,2481,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.8029699,ISDB,WQKRIBXUPQCEGV-SCLBCKFNSA-N,"InChI=1S/C18H21NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3,6,9,13,19H,4-5,7-8,10H2,1-2H3/t13-,18+/m0/s1",COc1cc2c3c(c1OC)[C@@]1(C=CC(=O)CC1)C[C@@H]3NCC2,C18H21NO3,,299.152143532,WQKRIBXUPQCEGV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,3,10.71187949180603 15958,2480,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 15959,2479,-1,,,,0.0,MS1_match,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,pos_1_minus1proton1iron,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 15960,2478,539,Alkaloids,Ornithine alkaloids,Polyamines,0.7520398,ISDB,YUUGXIVVDZSRNR-UHFFFAOYSA-N,"InChI=1S/C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19/h5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)",COc1cc(C=CC(=O)NCCCCNCCCNC(=O)C=Cc2ccc(O)c(O)c2)ccc1O,C26H33N3O6,,483.236935776,YUUGXIVVDZSRNR,Alkaloids,Ornithine alkaloids,Polyamines,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,10.508159160614014 15961,2477,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,2,9.0 15962,2477,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 15963,2477,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,2,9.0 15964,2475,-1,,,,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1sodium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 15965,2475,-1,,,,0.0,MS1_match,IKBSXSWJOQRTRW-OTJBPAGCSA-N,"InChI=1S/C16H26O8/c1-9(7-17)5-3-4-6-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h3-5,10-14,16-21H,6-8H2,1-2H3/t10-,11+,12+,13-,14+,16-/m0/s1",CC(=CC=CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H26O8,pos_1_1sodium,346.162767792,IKBSXSWJOQRTRW,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 15966,2475,-1,,,,0.0,MS1_match,IKBSXSWJOQRTRW-OTJBPAGCSA-N,"InChI=1S/C16H26O8/c1-9(7-17)5-3-4-6-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h3-5,10-14,16-21H,6-8H2,1-2H3/t10-,11+,12+,13-,14+,16-/m0/s1",CC(=CC=CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H26O8,pos_1_1sodium,346.162767792,IKBSXSWJOQRTRW,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 15967,2474,-1,,,,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_2_1calcium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 15968,2473,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_2_2proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15969,2473,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_2_2proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15970,2473,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_2_2proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15971,2473,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_2_2proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 15972,2472,1434,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XEVQXKKKAVVSMW-UHFFFAOYSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3",CC1(C)CC(O)CC2(C)OC(=O)C=C12,C11H16O3,pos_1_1proton2acetonitrile,196.109944372,XEVQXKKKAVVSMW,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 15973,2471,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NJMQSVWMCODQIP-FQXXIRCGSA-N,"InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,NJMQSVWMCODQIP,Shikimates and Phenylpropanoids,,,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,1,7.5 15974,2471,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NJMQSVWMCODQIP-FQXXIRCGSA-N,"InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1",OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319998,NJMQSVWMCODQIP,Shikimates and Phenylpropanoids,,,Betula maximowicziana,554287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula maximowicziana'],7,1,7.5 15975,2469,130,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5047842,ISDB,YWBKKENLEYFYSE-FONAMCPPSA-N,"InChI=1S/C40H54O5/c1-22(2)24-17-26-28(19-30(24)41)39(9)15-11-13-37(5,6)33(39)21-32(26)45-44-31-20-29-27(18-25(31)23(3)4)34(42)35(43)36-38(7,8)14-12-16-40(29,36)10/h17-20,22-23,32-33,41,43H,11-16,21H2,1-10H3/t32-,33-,39+,40+/m0/s1",CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C,C40H54O5,,614.397124828,YWBKKENLEYFYSE,Terpenoids,Diterpenoids,Abietane diterpenoids,Chamaecyparis obtusa,324772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Chamaecyparis'],['Chamaecyparis obtusa'],3,0,5.019136905670166 15976,2464,350,,,,0.53105086,ISDB,,,,,,,FTHIJITZGQUCNU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1242034435272217 15977,2463,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,BUQQDANPHQFSEK-CNLGBIOTSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16-,21-,22-,23-,24+,25-,26-/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,BUQQDANPHQFSEK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 15978,2463,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 15979,2463,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 15980,2462,767,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,BUQQDANPHQFSEK-CNLGBIOTSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16-,21-,22-,23-,24+,25-,26-/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1sodium,522.2101119079998,BUQQDANPHQFSEK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 15981,2462,767,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1sodium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 15982,2462,767,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1sodium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 15983,2461,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 15984,2461,-1,,,,0.0,MS1_match,XZHWSTJFHFQEOY-WIBXJVRESA-N,"InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5+/t12-,13-,14+,15-,16-/m1/s1",C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H28O7,pos_1_1sodium,332.183503236,XZHWSTJFHFQEOY,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 15985,2461,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 15986,2461,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 15987,2461,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],6,0,6.0 15988,2461,-1,,,,0.0,MS1_match,WEHZDNHJZBEGME-YTLAQTGPSA-N,"InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6-/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1sodium,332.183503236,WEHZDNHJZBEGME,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],6,0,6.0 15989,2459,-1,,,,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_1proton1isopropanol,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 15990,2459,-1,,,,0.0,MS1_match,GISVICWQYMUPJF-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3",Cc1ccc(C=O)c(C)c1,C9H10O,pos_1_1proton1methanol,134.07316494,GISVICWQYMUPJF,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 15991,2458,-1,,,,0.0,MS1_match,YGESMQWDYGHJFP-NSHDSACASA-N,"InChI=1S/C14H19NO3/c1-18-14-8-10(5-6-12(14)16)13(17)9-11-4-2-3-7-15-11/h5-6,8,11,15-16H,2-4,7,9H2,1H3/t11-/m0/s1",COc1cc(C(=O)C[C@@H]2CCCCN2)ccc1O,C14H19NO3,pos_1_1proton1dmso,249.136493468,YGESMQWDYGHJFP,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cryptocarya pleurosperma,5232055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya pleurosperma'],6,0,6.0 15992,2458,-1,,,,0.0,MS1_match,LBNRVYIIEPDWHO-NSHDSACASA-N,"InChI=1S/C14H19NO3/c1-15-7-3-4-11(15)9-13(17)10-5-6-12(16)14(8-10)18-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3/t11-/m0/s1",COc1cc(C(=O)C[C@@H]2CCCN2C)ccc1O,C14H19NO3,pos_1_1proton1dmso,249.136493468,LBNRVYIIEPDWHO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cryptocarya phyllostemon,6026066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya phyllostemon'],6,0,6.0 15993,2457,502,Shikimates and Phenylpropanoids,Isoflavonoids,Azaphilones,0.5454906,ISDB,GLPDBGACWOZVNL-ZETCQYMHSA-N,"InChI=1S/C9H8O4/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-3,7,10-11H,4H2/t7-/m0/s1",O=C1c2ccc(O)cc2OC[C@@H]1O,C9H8O4,,180.042258736,GLPDBGACWOZVNL,Shikimates and Phenylpropanoids,Isoflavonoids,,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],4,2,7.181962490081787 15994,2455,1121,Polyketides,Pseudoalkaloids,N-acyl amines,0.67956996,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,2,11.718279838562012 15995,2454,848,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NQSVMEYOIVETBP-FQMUDZMSSA-N,"InChI=1S/C27H28O16/c1-8-15(31)17(33)20(36)26(39-8)43-24-19(35)18(34)23(25(37)38)42-27(24)41-22-16(32)14-12(30)6-11(29)7-13(14)40-21(22)9-2-4-10(28)5-3-9/h2-8,15,17-20,23-24,26-31,33-36H,1H3,(H,37,38)/t8-,15-,17+,18-,19-,20+,23-,24+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H28O16,pos_1_1proton1ammonium,608.137734816,NQSVMEYOIVETBP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alchemilla speciosa,3904373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Alchemilla'],['Alchemilla speciosa'],6,3,7.5 15996,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 15997,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,3,7.5 15998,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus sabina,209226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus sabina'],6,3,7.5 15999,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LQSBFMDOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 16000,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,3,7.5 16001,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],6,3,7.5 16002,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,3,7.5 16003,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula obscura,3929999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula x obscura'],6,3,7.5 16004,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula humilis,567478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula humilis'],6,3,7.5 16005,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,3,7.5 16006,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,3,7.5 16007,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 16008,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,7.5 16009,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,3,7.5 16010,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,3,7.5 16011,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,7.5 16012,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 16013,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula humilis,567478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula humilis'],6,3,7.5 16014,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,3,7.5 16015,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula obscura,3929999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula x obscura'],6,3,7.5 16016,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,3,7.5 16017,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus sabina,209226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus sabina'],6,3,7.5 16018,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LQSBFMDOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 16019,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,3,7.5 16020,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],6,3,7.5 16021,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,3,7.5 16022,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula humilis,567478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula humilis'],6,3,7.5 16023,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 16024,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula obscura,3929999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula x obscura'],6,3,7.5 16025,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,3,7.5 16026,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus sabina,209226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus sabina'],6,3,7.5 16027,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LQSBFMDOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 16028,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,3,7.5 16029,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],6,3,7.5 16030,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,3,7.5 16031,2453,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OPJZLUXFQFQYAI-KJABTQEJSA-N,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16+,17-,19+,21+/m1/s1",O=c1c(O[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OPJZLUXFQFQYAI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],6,3,7.5 16032,2452,-1,,,,0.76150435,ISDB,SZJNCZMRZAUNQT-BDAKNGLRSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m1/s1",CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],4,0,7.046017408370972 16033,2452,-1,,,,0.76150435,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],4,0,7.046017408370972 16034,2452,-1,,,,0.76150435,ISDB,SZJNCZMRZAUNQT-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",CC(C)CC1NC(=O)C2CCCN2C1=O,C11H18N2O2,,210.136827816,SZJNCZMRZAUNQT,Amino acids and Peptides,Small peptides,Dipeptides,Coffea arabica,1001050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Coffea arabica'],4,0,7.046017408370972 16035,2451,723,Alkaloids,Ornithine alkaloids,Piperidine alkaloids,0.34713963,ISDB,RALIZCWZKRCHJQ-VTSXBNNFSA-N,"InChI=1S/C19H35N3O2/c1-3-4-5-6-7-11-18-16-19(24)21-13-10-15-22(17(2)23)14-9-8-12-20-18/h7,11,18,20H,3-6,8-10,12-16H2,1-2H3,(H,21,24)/b11-7-/t18-/m0/s1",CCCCC/C=C\[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1,C19H35N3O2,,337.27292736,RALIZCWZKRCHJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Monteverdia loeseneri,5750134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia loeseneri'],4,3,6.888558506965637 16036,2450,723,Alkaloids,Ornithine alkaloids,Piperidine alkaloids,0.55102223,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2040889263153076 16037,2448,-1,,,,0.0,MS1_match,FMDABYSWHIAMNR-QXHWVZJPSA-N,"InChI=1S/C27H30O16/c28-7-14-17(33)19(35)21(37)26(40-14)42-24-15(8-29)41-27(22(38)20(24)36)43-25-18(34)16-12(32)5-11(31)6-13(16)39-23(25)9-1-3-10(30)4-2-9/h1-6,14-15,17,19-22,24,26-33,35-38H,7-8H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1proton,610.15338488,FMDABYSWHIAMNR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,0,9.0 16038,2448,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,0,9.0 16039,2448,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,0,9.0 16040,2444,-1,,,,0.2158422,ISDB,UFOOFOUFKSIFCD-UHFFFAOYSA-N,"InChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h9-10,23,25H,2-8,11-22H2,1H3,(H,26,27)",CCCCCCCCC=CCCCCCCCCCCCCC(O)C(=O)O,C24H46O3,,382.344695332,UFOOFOUFKSIFCD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Tripneustes esculentus,395682.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Echinoidea'],['Temnopleuroida'],['Toxopneustidae'],['Unknown'],['Tripneustes'],['Tripneustes ventricosus'],1,0,1.863368809223175 16041,2443,-1,,,,0.0,MS1_match,FMDABYSWHIAMNR-QXHWVZJPSA-N,"InChI=1S/C27H30O16/c28-7-14-17(33)19(35)21(37)26(40-14)42-24-15(8-29)41-27(22(38)20(24)36)43-25-18(34)16-12(32)5-11(31)6-13(16)39-23(25)9-1-3-10(30)4-2-9/h1-6,14-15,17,19-22,24,26-33,35-38H,7-8H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C27H30O16,pos_1_1sodium,610.15338488,FMDABYSWHIAMNR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,0,9.0 16042,2443,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,0,9.0 16043,2443,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,0,9.0 16044,2442,2909,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_1_1proton,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 16045,2442,2909,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_1_1proton,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 16046,2441,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7987839,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,13.695135593414307 16047,2440,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-ZDUSSCGKSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 16048,2439,-1,,,,0.0,MS1_match,LCAZZISCNMBVKG-LBPRGKRZSA-N,"InChI=1S/C17H17NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3/t12-/m0/s1",COc1cc2c3c(c1O)C1(C=CC(=O)C=C1)C[C@@H]3NCC2,C17H17NO3,pos_2MH,283.120843404,LCAZZISCNMBVKG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 16049,2439,-1,,,,0.0,MS1_match,LCAZZISCNMBVKG-UHFFFAOYSA-N,"InChI=1S/C17H17NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3",COc1cc2c3c(c1O)C1(C=CC(=O)C=C1)CC3NCC2,C17H17NO3,pos_2MH,283.120843404,LCAZZISCNMBVKG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,0,6.0 16050,2439,-1,,,,0.0,MS1_match,QAAIWYNFNWDEAF-ZDUSSCGKSA-N,"InChI=1S/C17H17NO3/c1-21-17-14(20)8-9-4-5-18-13-7-10-6-11(19)2-3-12(10)16(17)15(9)13/h2-3,6,8,13,18-20H,4-5,7H2,1H3/t13-/m0/s1",COc1c(O)cc2c3c1-c1ccc(O)cc1C[C@@H]3NCC2,C17H17NO3,pos_2MH,283.120843404,QAAIWYNFNWDEAF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,0,6.0 16051,2439,-1,,,,0.0,MS1_match,IZZKMFBIJVLUFA-OAHLLOKOSA-N,"InChI=1S/C17H17NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-4,8-9,15,18-19H,5-7,10H2/t15-/m1/s1",Oc1ccc(C[C@H]2NCCc3cc4c(cc32)OCO4)cc1,C17H17NO3,pos_2MH,283.120843404,IZZKMFBIJVLUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 16052,2439,-1,,,,0.0,MS1_match,RXGUTQNKCXHALN-BJMVGYQFSA-N,"InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+",O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1,C17H17NO3,pos_2MH,283.120843404,RXGUTQNKCXHALN,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 16053,2437,-1,,,,0.0,MS1_match,WWRCMNKATXZARA-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",Cc1ccccc1C(C)C,C10H14,pos_1_1proton,134.109550448,WWRCMNKATXZARA,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 16054,2436,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_1_1proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16055,2436,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_1_1proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16056,2436,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1ethylamine,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16057,2436,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_1_1proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16058,2436,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_1_1proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16059,2435,-1,,,,0.80321616,ISDB,AOBPPVSKOQIAKW-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-10-5-8-4-7(6-11)2-3-9(8)13-10/h2-6H,1H3",COc1cc2cc(C=O)ccc2o1,C10H8O3,,176.047344116,AOBPPVSKOQIAKW,Shikimates and Phenylpropanoids,,,Zanthoxylum wutaiense,570620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum wutaiense'],4,0,7.212864637374878 16060,2434,-1,,,,0.24362747,ISDB,,,,,,,UGJMXCAKCUNAIE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9745098948478699 16061,2432,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,pos_1_1proton1ammonium,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 16062,2429,3069,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.5561802,ISDB,LSNBIAKOKAZXBW-OFQRWUPVSA-N,"InChI=1S/C16H26N2O2/c19-12-18-10-4-7-13-5-3-6-14(16(13)18)11-17-9-2-1-8-15(17)20/h12-14,16H,1-11H2/t13-,14-,16+/m0/s1",O=CN1CCC[C@@H]2CCC[C@@H](CN3CCCCC3=O)[C@@H]21,C16H26N2O2,,278.199428072,LSNBIAKOKAZXBW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Mycetia nutans,3882229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Argostemmateae'],['Mycetia'],['Mycetia nutans'],4,3,7.72472071647644 16063,2429,3069,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.5561802,ISDB,LSNBIAKOKAZXBW-OFQRWUPVSA-N,"InChI=1S/C16H26N2O2/c19-12-18-10-4-7-13-5-3-6-14(16(13)18)11-17-9-2-1-8-15(17)20/h12-14,16H,1-11H2/t13-,14-,16+/m0/s1",O=CN1CCC[C@@H]2CCC[C@@H](CN3CCCCC3=O)[C@@H]21,C16H26N2O2,,278.199428072,LSNBIAKOKAZXBW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Myrioneuron nutans,3882229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Argostemmateae'],['Mycetia'],['Mycetia nutans'],4,3,7.72472071647644 16064,2428,3784,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.0,MS1_match,BJASCOCBBQIWQW-JFYYGXDOSA-N,"InChI=1S/C15H22O5/c1-8(2)9-4-5-13(3)7-14(19)10(12(17)18)6-11(16)15(9,13)20-14/h6,8-9,11,16,19H,4-5,7H2,1-3H3,(H,17,18)/t9-,11+,13-,14+,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)C[C@]3(O)O[C@]12[C@@H](O)C=C3C(=O)O,C15H22O5,pos_1_1proton1methanol,282.146723804,BJASCOCBBQIWQW,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 16065,2428,3784,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.0,MS1_match,DIDYJHXLVGRDST-NUNXZZDCSA-N,"InChI=1S/C15H22O5/c1-8(2)10-4-5-14(3)7-11-9(13(17)18)6-12(16)15(10,14)20-19-11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t10-,11+,12+,14-,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)C[C@@H]3OO[C@]12[C@@H](O)C=C3C(=O)O,C15H22O5,pos_1_1proton1methanol,282.146723804,DIDYJHXLVGRDST,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 16066,2428,3784,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.0,MS1_match,RHLLNTAZVZVMSG-FQKPHLNHSA-N,"InChI=1S/C15H22O5/c1-9(2)11-4-5-14(3)7-12-10(8-16)6-13(18-17)15(11,14)20-19-12/h6,8-9,11-13,17H,4-5,7H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)C[C@@H]3OO[C@]12[C@@H](OO)C=C3C=O,C15H22O5,pos_1_1proton1methanol,282.146723804,RHLLNTAZVZVMSG,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 16067,2428,3784,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.0,MS1_match,USJPIXZLBJXWSX-JVSQWTDWSA-N,"InChI=1S/C15H22O5/c1-8(2)10-4-5-14(3)7-11-9(13(17)18)6-12(16)15(14,19-10)20-11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t10-,11-,12-,14+,15-/m0/s1",CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@@]2(O1)[C@@H](O)C=C3C(=O)O,C15H22O5,pos_1_1proton1methanol,282.146723804,USJPIXZLBJXWSX,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 16068,2427,3784,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,0.42918494,ISDB,BZODLVUNDCEFAE-GADBESIXSA-N,"InChI=1S/C16H24O5/c1-9(2)11-5-6-15(3)8-12-10(14(18)19-4)7-13(17)16(11,15)21-20-12/h7,9,11-13,17H,5-6,8H2,1-4H3/t11-,12+,13+,15-,16+/m1/s1",COC(=O)C1=C[C@H](O)[C@]23OO[C@H]1C[C@@]2(C)CC[C@@H]3C(C)C,C16H24O5,,296.162373868,BZODLVUNDCEFAE,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,9.216739773750305 16069,2425,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.64605135,ISDB,YTNIUPZRMQLHNV-XSIUSZODSA-N,"InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C25H44N2,,372.350449408,YTNIUPZRMQLHNV,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,8.584205389022827 16070,2424,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YTNIUPZRMQLHNV-XSIUSZODSA-N,"InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C25H44N2,pos_2_2proton,372.350449408,YTNIUPZRMQLHNV,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 16071,2423,2074,Terpenoids,Monoterpenoids,Ursane and Taraxastane triterpenoids,0.51901907,ISDB,YGYSWSPXSCQPRC-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,6,9,11H,1,5,7H2,2-3H3",C=C1C=CC(C(C)(C)O)CC1,C10H16O,,152.120115132,YGYSWSPXSCQPRC,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,2,12.07607626914978 16072,2421,-1,,,,0.3939503,ISDB,,,,,,,CTRHRQCHCYZDMP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5758012533187866 16073,2420,568,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ammonium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,3,7.5 16074,2419,1693,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.5515523,ISDB,LYGPBZVKGHHTIE-HUBYJIGHSA-N,"InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,,578.1635556399999,LYGPBZVKGHHTIE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Machilus japonica,609875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus japonica'],6,3,9.706209182739258 16075,2418,-1,,,,0.44748056,ISDB,DLOXQNKQILRKCN-NEZDRFLRSA-N,"InChI=1S/C30H36O14/c1-3-4-16-6-9-20(21(12-16)39-2)43-28-26(36)25(35)24(34)22(44-28)13-40-29-27(37)30(38,15-42-29)14-41-23(33)10-7-17-5-8-18(31)19(32)11-17/h3,5-12,22,24-29,31-32,34-38H,1,4,13-15H2,2H3/b10-7+/t22-,24-,25+,26-,27+,28-,29-,30-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(COC(=O)/C=C/c4ccc(O)c(O)c4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C30H36O14,,620.210505832,DLOXQNKQILRKCN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],4,0,5.78992223739624 16076,2417,-1,,,,0.46041995,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,8.841679811477661 16077,2416,-1,,,,0.8589244,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,0,10.435697555541992 16078,2415,-1,,,,0.51546085,ISDB,JLRWQHLWCXUJEL-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3",CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C,C26H44N2,,384.350449408,JLRWQHLWCXUJEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.061843395233154 16079,2413,-1,,,,0.0,MS1_match,MJGLREGOLPEPID-GHKGYAFRSA-N,"InChI=1S/C23H42N2/c1-15(25(4)5)19-8-9-20-18-7-6-16-14-17(24)10-12-22(16,2)21(18)11-13-23(19,20)3/h15-21H,6-14,24H2,1-5H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H42N2,pos_2MCa,346.33479934400003,MJGLREGOLPEPID,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 16080,2413,-1,,,,0.0,MS1_match,HOPSETDNZAGIKW-UHFFFAOYSA-N,"InChI=1S/C23H42N2/c1-15(24-4)19-8-9-20-18-7-6-16-14-17(25-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h15-21,24-25H,6-14H2,1-5H3",CNC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)NC)CCC32)C1,C23H42N2,pos_2MCa,346.334799344,HOPSETDNZAGIKW,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,6.0 16081,2412,723,Alkaloids,Ornithine alkaloids,Piperidine alkaloids,0.40344232,ISDB,DCFUWQLCZRCSMG-IRXDYDNUSA-N,"InChI=1S/C19H34N2O3/c22-18(11-4-2-1-3-5-12-19(23)24)20-15-16-9-8-14-21-13-7-6-10-17(16)21/h16-17H,1-15H2,(H,20,22)(H,23,24)/t16-,17-/m0/s1",O=C(O)CCCCCCCC(=O)NC[C@@H]1CCCN2CCCC[C@@H]12,C19H34N2O3,,338.256942948,DCFUWQLCZRCSMG,Alkaloids,Ornithine alkaloids,,Sophora alopecuroides,571300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora alopecuroides'],4,2,6.613769292831421 16082,2411,-1,,,,0.9486777,ISDB,LOXISCREWUEUQN-KIQLNVJJSA-N,"InChI=1S/C15H24N2O2/c18-17-9-2-4-10-11-5-1-6-12(19-13(10)17)15(11)7-3-8-16-14(15)17/h10-14,16H,1-9H2/t10-,11+,12+,13-,14-,15-,17?/m0/s1",[O-][N+]12CCC[C@H]3[C@H]4CCC[C@@H](O[C@@H]31)[C@]41CCCN[C@H]12,C15H24N2O2,,264.183778008,LOXISCREWUEUQN,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Nitraria schoberi,3942279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria schoberi'],4,0,7.794710874557495 16083,2410,-1,,,,0.7416214,ISDB,FVSNLPIDBSKTGH-UHFFFAOYSA-N,"InChI=1S/C14H22N2O2/c1-10(2)5-3-7-14(18)15-13-9-12(17)11-6-4-8-16(11)13/h9-11H,3-8H2,1-2H3,(H,15,18)",CC(C)CCCC(=O)NC1=CC(=O)C2CCCN12,C14H22N2O2,,250.168127944,FVSNLPIDBSKTGH,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Xenorhabdus stockiae,896280.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Enterobacteriales'],['Morganellaceae'],['Unknown'],['Xenorhabdus'],['Xenorhabdus stockiae'],0,0,2.9664855003356934 16084,2409,3211,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVVUDBUSZSDPJI-RUERYLGASA-N,"InChI=1S/C27H50N2O/c1-9-10-20-25(6)15-19(30)22(18(2)29(7)8)24(25,5)13-14-27(20)17-26(27)12-11-21(28)23(3,4)16-26/h18-22,30H,9-17,28H2,1-8H3/t18-,19+,20-,21-,22-,24-,25-,26-,27-/m0/s1",CCC[C@@H]1[C@]2(CC[C@@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]13C)C[C@@]21CC[C@H](N)C(C)(C)C1,C27H50N2O,pos_2_1iron,418.39231422,UVVUDBUSZSDPJI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16085,2408,3211,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.44157588,ISDB,CUHBAHMWNDOHGZ-NXEZZACHSA-N,"InChI=1S/C12H18N2O2/c1-14-6-9(8-15)5-10(7-14)11-3-2-4-12(16)13-11/h2-4,9-10,15H,5-8H2,1H3,(H,13,16)/t9-,10-/m1/s1",CN1C[C@H](CO)C[C@@H](c2cccc(O)n2)C1,C12H18N2O2,,222.136827816,CUHBAHMWNDOHGZ,Alkaloids,Tryptophan alkaloids,,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],4,1,6.266303539276123 16086,2408,3211,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.44157588,ISDB,CUHBAHMWNDOHGZ-ZJUUUORDSA-N,"InChI=1S/C12H18N2O2/c1-14-6-9(8-15)5-10(7-14)11-3-2-4-12(16)13-11/h2-4,9-10,15H,5-8H2,1H3,(H,13,16)/t9-,10+/m1/s1",CN1C[C@H](CO)C[C@H](c2cccc(O)n2)C1,C12H18N2O2,,222.136827816,CUHBAHMWNDOHGZ,Alkaloids,Tryptophan alkaloids,,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],4,1,6.266303539276123 16087,2407,-1,,,,0.75661254,ISDB,BPMCGXVZFFWPSM-UHFFFAOYSA-N,"InChI=1S/C9H14N5O/c1-12(2)9-10-7-6(8(15)11-9)13(3)5-14(7)4/h5H,1-4H3,(H,10,11,15)",CN(C)c1nc(O)c2c(n1)N(C)[CH]N2C,C9H14N5O,,208.119835068,BPMCGXVZFFWPSM,Alkaloids,Pseudoalkaloids,Purine alkaloids,Heterostemma brownii,300835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Ceropegieae'],['Heterostemma'],['Heterostemma brownii'],4,0,7.026450157165527 16088,2405,-1,,,,0.43581647,ISDB,DJOOMNLGIUGRKD-UHFFFAOYSA-N,"InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3",CC1=CCC(C(C)(C)O)CC1=O,C10H16O2,,168.115029752,DJOOMNLGIUGRKD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,0,6.743265867233276 16089,2404,-1,,,,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 16090,2404,-1,,,,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 16091,2404,-1,,,,0.0,MS1_match,BKBYHSYZKIAJDA-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CC(O)CC(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_1_1sodium,348.157288488,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 16092,2404,-1,,,,0.0,MS1_match,BKBYHSYZKIAJDA-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CC(O)CC(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_1_1sodium,348.157288488,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 16093,2400,985,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,SPNCPJHJJONRPM-YKSJTIPHSA-N,"InChI=1S/C32H50O5/c1-20(2)24-10-11-27-26(30(24,5)15-14-28(34)36-8)13-17-31(6)25(12-16-32(27,31)7)21(3)18-23(33)19-22(4)29(35)37-9/h11,21-22,24-26H,1,10,12-19H2,2-9H3/t21-,22-,24+,25-,26-,30+,31-,32+/m1/s1",C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)OC,C32H50O5,pos_2_1magnesium,514.3658246999998,SPNCPJHJJONRPM,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,7.5 16094,2399,-1,,,,0.0,MS1_match,XBHWAKRDNVCHEC-APYVTPOUSA-N,"InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3/t16-,20+,21-,22+,23-,24+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H32O11,pos_1_1sodium,496.1944618439999,XBHWAKRDNVCHEC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 16095,2398,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,XBHWAKRDNVCHEC-APYVTPOUSA-N,"InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3/t16-,20+,21-,22+,23-,24+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H32O11,pos_1_1proton1ammonium,496.1944618439999,XBHWAKRDNVCHEC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 16096,2395,1825,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.5076554,ISDB,SITNBMVOMZOXOP-UHFFFAOYSA-N,"InChI=1S/C13H12O4/c1-7-5-8-3-4-10(15)9(6-14)11(8)12(16)13(7)17-2/h3-6,15-16H,1-2H3",COc1c(C)cc2ccc(O)c(C=O)c2c1O,C13H12O4,,232.073558864,SITNBMVOMZOXOP,Polyketides,Naphthalenes,Naphthalenes and derivatives,Hibiscus taiwanensis,6117615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus taiwanensis'],3,3,6.530621528625488 16097,2393,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_2MNa,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 16098,2393,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_2MNa,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus florida,148264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus florida'],7,0,7.0 16099,2393,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_2MNa,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,7.0 16100,2393,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_2MNa,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 16101,2392,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_2MHNH3,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 16102,2392,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_2MHNH3,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 16103,2392,-1,,,,0.0,MS1_match,YQLBRAQABHCUCV-QEEIFZAPSA-N,"InChI=1S/C16H24O10/c1-5-2-7(18)10-6(14(22)23)4-24-15(9(5)10)26-16-13(21)12(20)11(19)8(3-17)25-16/h4-5,7-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,7-,8+,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@H]1C[C@H](O)[C@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C16H24O10,pos_2MHCH3CN,376.136946968,YQLBRAQABHCUCV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 16104,2392,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_2MHNH3,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus florida,148264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus florida'],7,0,7.0 16105,2392,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_2MHNH3,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,7.0 16106,2391,2943,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16107,2391,2943,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16108,2391,2943,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16109,2390,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_1_1potassium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 16110,2390,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_1_1potassium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus florida,148264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus florida'],7,0,7.0 16111,2390,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1potassium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,7.0 16112,2390,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1potassium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 16113,2389,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_1_1sodium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 16114,2389,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_1_1sodium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus florida,148264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus florida'],7,0,7.0 16115,2389,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1sodium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,7.0 16116,2389,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1sodium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 16117,2388,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16118,2388,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus florida,148264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus florida'],7,3,8.5 16119,2388,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,3,8.5 16120,2388,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,3,8.5 16121,2387,1324,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.3477339,ISDB,BDMACDVLTOBWFC-QCWIYXSRSA-N,"InChI=1S/C30H22O12/c31-13-7-20(37)24-22(8-13)40-28(12-2-4-16(33)19(36)6-12)30(24)25-23(41-29(30)39)10-17(34)14-9-21(38)26(42-27(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26,28,31-38H,9H2/t21-,26-,28-,30+/m1/s1",O=C1Oc2cc(O)c3c(c2[C@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)c(O)c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3,C30H22O12,,574.111126144,BDMACDVLTOBWFC,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Abies sachalinensis,648449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sachalinensis'],6,3,8.89093565940857 16122,2385,-1,,,,0.0,MS1_match,JVOIMQGIODZVSL-SFDJKRGLSA-N,"InChI=1S/C54H88O23/c1-21(2)23-9-14-54(49(69)77-48-41(67)37(63)34(60)28(74-48)20-70-45-42(68)38(64)43(27(19-56)73-45)76-46-39(65)35(61)32(58)22(3)71-46)16-15-52(7)24(31(23)54)17-25(57)44-51(6)12-11-30(50(4,5)29(51)10-13-53(44,52)8)75-47-40(66)36(62)33(59)26(18-55)72-47/h22-48,55-68H,1,9-20H2,2-8H3/t22-,23-,24+,25+,26+,27+,28+,29-,30+,31+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C54H88O23,pos_2_1proton1potassium,1104.571639076,JVOIMQGIODZVSL,Terpenoids,Triterpenoids,Lupane triterpenoids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 16123,2383,1693,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.4036331,ISDB,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,2,11.614532351493835 16124,2382,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 16125,2382,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 16126,2380,-1,,,,0.0,MS1_match,YXZYFHXWEOAXLF-UGAZNADUSA-N,"InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28-,29-,34+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C34H28O22,pos_1_1proton1ammonium,788.1072225360001,YXZYFHXWEOAXLF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 16127,2380,-1,,,,0.0,MS1_match,YXZYFHXWEOAXLF-UGAZNADUSA-N,"InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28-,29-,34+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C34H28O22,pos_1_1proton1ammonium,788.1072225360001,YXZYFHXWEOAXLF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 16128,2378,-1,,,,0.566638,ISDB,,,,,,,KMGJVJVXWPAOSO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.266551971435547 16129,2376,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.0,MS1_match,LCAZZISCNMBVKG-LBPRGKRZSA-N,"InChI=1S/C17H17NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3/t12-/m0/s1",COc1cc2c3c(c1O)C1(C=CC(=O)C=C1)C[C@@H]3NCC2,C17H17NO3,pos_1_1proton,283.120843404,LCAZZISCNMBVKG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,2,7.0 16130,2376,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.0,MS1_match,LCAZZISCNMBVKG-UHFFFAOYSA-N,"InChI=1S/C17H17NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3",COc1cc2c3c(c1O)C1(C=CC(=O)C=C1)CC3NCC2,C17H17NO3,pos_1_1proton,283.120843404,LCAZZISCNMBVKG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,2,7.0 16131,2376,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.0,MS1_match,QAAIWYNFNWDEAF-ZDUSSCGKSA-N,"InChI=1S/C17H17NO3/c1-21-17-14(20)8-9-4-5-18-13-7-10-6-11(19)2-3-12(10)16(17)15(9)13/h2-3,6,8,13,18-20H,4-5,7H2,1H3/t13-/m0/s1",COc1c(O)cc2c3c1-c1ccc(O)cc1C[C@@H]3NCC2,C17H17NO3,pos_1_1proton,283.120843404,QAAIWYNFNWDEAF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,2,7.0 16132,2376,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.0,MS1_match,IZZKMFBIJVLUFA-OAHLLOKOSA-N,"InChI=1S/C17H17NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-4,8-9,15,18-19H,5-7,10H2/t15-/m1/s1",Oc1ccc(C[C@H]2NCCc3cc4c(cc32)OCO4)cc1,C17H17NO3,pos_1_1proton,283.120843404,IZZKMFBIJVLUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,2,7.0 16133,2375,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.23153827,ISDB,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus florida,148264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus florida'],7,3,9.426153063774109 16134,2375,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.23153827,ISDB,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,9.426153063774109 16135,2375,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.23153827,ISDB,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,3,9.426153063774109 16136,2375,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.23153827,ISDB,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,3,9.426153063774109 16137,2374,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OCNYGKNIVPVPPX-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3",COC(=O)C=Cc1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1methanol,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Alangium platanifolium var. trilobum,7593708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 16138,2374,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OCNYGKNIVPVPPX-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",COC(=O)/C=C/c1ccc(O)c(O)c1,C10H10O4,pos_1_1proton1methanol,194.0579088,OCNYGKNIVPVPPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 16139,2372,-1,,,,0.0,MS1_match,CBOQJANXLMLOSS-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3",CCOc1cc(C=O)ccc1O,C9H10O3,pos_1_1proton,166.06299418,CBOQJANXLMLOSS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 16140,2371,1319,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3751078,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],5,3,8.000431180000305 16141,2371,1319,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.3751078,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hydrangea chinensis,486966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea chinensis'],5,3,8.000431180000305 16142,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Heliotropium lasiocarpum,805469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium lasiocarpum'],4,1,6.975484371185303 16143,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],4,1,6.975484371185303 16144,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.975484371185303 16145,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.975484371185303 16146,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,1,6.975484371185303 16147,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,1,6.975484371185303 16148,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Rostrinucula dependens,284543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Pogostemoneae'],['Rostrinucula'],['Rostrinucula dependens'],4,1,6.975484371185303 16149,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,1,6.975484371185303 16150,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Achillea grandifolia,245232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea grandifolia'],4,1,6.975484371185303 16151,2370,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.6188711,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,1,6.975484371185303 16152,2366,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,WYUFTYLVLQZQNH-HNEXDWKRSA-N,"InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8+/m1/s1",CCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C8H16O6,pos_2MHCH3CN,208.094688232,WYUFTYLVLQZQNH,,,,Rubus niveus,714526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus niveus'],6,0,6.0 16153,2366,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,ZAAXPJUGNJCUHG-NGJRWZKOSA-N,"InChI=1S/C8H16O6/c1-2-13-4-8(12)7(11)6(10)5(9)3-14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1",CCOC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O,C8H16O6,pos_2MHCH3CN,208.094688232,ZAAXPJUGNJCUHG,,,,Rosa davurica,733758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davurica'],6,0,6.0 16154,2366,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,SNKSMYJJYVZUMV-OOJXKGFFSA-N,"InChI=1S/C8H16O6/c1-2-13-8(4-9)7(12)6(11)5(10)3-14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1",CCO[C@]1(CO)OC[C@@H](O)[C@@H](O)[C@@H]1O,C8H16O6,pos_2MHCH3CN,208.094688232,SNKSMYJJYVZUMV,,,,Rosa davurica,733758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa davurica'],6,0,6.0 16155,2365,-1,,,,0.0,MS1_match,YXZYFHXWEOAXLF-UGAZNADUSA-N,"InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28-,29-,34+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C34H28O22,pos_2MHNH3,788.1072225360001,YXZYFHXWEOAXLF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,0,7.0 16156,2365,-1,,,,0.0,MS1_match,YXZYFHXWEOAXLF-UGAZNADUSA-N,"InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28-,29-,34+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C34H28O22,pos_2MHNH3,788.1072225360001,YXZYFHXWEOAXLF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,0,7.0 16157,2364,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.50905854,ISDB,BOKVLBSSPUTWLV-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3",COc1cc2c(cc1O)C(Cc1ccc(O)cc1)N(C)CC2,C18H21NO3,,299.152143532,BOKVLBSSPUTWLV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Discaria chacaye,1066435.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Colletieae'],['Discaria'],['Discaria chacaye'],6,3,9.536234140396118 16158,2364,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.50905854,ISDB,BOKVLBSSPUTWLV-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3",COc1cc2c(cc1O)C(Cc1ccc(O)cc1)N(C)CC2,C18H21NO3,,299.152143532,BOKVLBSSPUTWLV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Discaria serratifolia,7637001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Colletieae'],['Discaria'],['Discaria serratifolia'],6,3,9.536234140396118 16159,2364,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.50905854,ISDB,BOKVLBSSPUTWLV-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3",COc1cc2c(cc1O)C(Cc1ccc(O)cc1)N(C)CC2,C18H21NO3,,299.152143532,BOKVLBSSPUTWLV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Discaria toumatou,619923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Colletieae'],['Discaria'],['Discaria toumatou'],6,3,9.536234140396118 16160,2363,-1,,,,0.5588697,ISDB,PNXFUWJIBFETOA-QYMDOWTASA-N,"InChI=1S/C34H34O20/c1-10-22(41)27(46)31(53-32(48)12-5-17(39)23(42)18(40)6-12)34(50-10)49-9-20-24(43)26(45)28(47)33(52-20)54-30-25(44)21-16(38)7-13(35)8-19(21)51-29(30)11-2-3-14(36)15(37)4-11/h2-8,10,20,22,24,26-28,31,33-43,45-47H,9H2,1H3/t10-,20+,22-,24+,26-,27+,28+,31+,33-,34+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O,C34H34O20,,762.164343488,PNXFUWJIBFETOA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],4,0,6.23547887802124 16161,2361,827,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,AKCWKACKPGSALW-MJLBXUHQSA-N,"InChI=1S/C20H34O4/c1-7-20(6,23)13-9-12-17(11-8-10-16(2)3)15-24-18(21)14-19(4,5)22/h7,10,12,22-23H,1,8-9,11,13-15H2,2-6H3/b17-12-/t20-/m1/s1",C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O,C20H34O4,pos_2MFe,338.245709568,AKCWKACKPGSALW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,3,8.5 16162,2360,539,Alkaloids,Ornithine alkaloids,Polyamines,0.74155253,ISDB,YUUGXIVVDZSRNR-UHFFFAOYSA-N,"InChI=1S/C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19/h5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)",COc1cc(C=CC(=O)NCCCCNCCCNC(=O)C=Cc2ccc(O)c(O)c2)ccc1O,C26H33N3O6,,483.236935776,YUUGXIVVDZSRNR,Alkaloids,Ornithine alkaloids,Polyamines,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,10.466210126876831 16163,2356,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,BUQQDANPHQFSEK-CNLGBIOTSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16-,21-,22-,23-,24+,25-,26-/m0/s1",COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2CO)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.2101119079998,BUQQDANPHQFSEK,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 16164,2356,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 16165,2356,1219,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.0,MS1_match,AHYOMNWKYGMYMB-JLJRJMHKSA-N,"InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16+,21+,22+,23+,24-,25+,26+/m0/s1",COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C26H34O11,pos_1_1proton1ammonium,522.210111908,AHYOMNWKYGMYMB,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 16166,2355,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.7447539,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.479015588760376 16167,2354,-1,,,,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16168,2353,-1,,,,0.0,MS1_match,ODQOCJVSQCAFKC-GSTPBQSSSA-N,"InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h9,16-19,21-22,25H,7-8,10-15H2,1-6H3/t16-,17-,18-,19-,21-,22-,23-,24+/m0/s1",CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1,C24H42N2,pos_2_2proton,358.33479934400003,ODQOCJVSQCAFKC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 16169,2353,-1,,,,0.0,MS1_match,MYTBMURTERFGRG-LRBBLMIVSA-N,"InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h10,16-20,22,25H,7-9,11-15H2,1-6H3/t16-,17-,18-,19-,20+,22-,23-,24+/m0/s1",CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1,C24H42N2,pos_2_2proton,358.33479934400003,MYTBMURTERFGRG,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 16170,2352,646,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,0.60190266,ISDB,,,,,,,DQWGZHFKRYCJOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4076106548309326 16171,2350,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8234511,ISDB,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],3,2,7.293804407119751 16172,2350,311,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8234511,ISDB,UASMTJSLCCDICT-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-3-2-4-11(13(14)15)8-12-7-10(12)6-5-9/h3,8,10,12H,2,4-7H2,1H3,(H,14,15)",CC1=CCCC(C(=O)O)=CC2CC2CC1,C13H18O2,,206.130679816,UASMTJSLCCDICT,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Valeriana dageletiana,7625130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana dageletiana'],3,2,7.293804407119751 16173,2349,-1,,,,0.0,MS1_match,VWBWQPAZMNABMR-MJKWJQFASA-N,"InChI=1S/C21H22O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-26,28-29H,7H2/t13-,15-,17+,18-,19-,20-,21+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C21H22O11,pos_1_1sodium,450.116211524,VWBWQPAZMNABMR,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Alcea setosa,908644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Alcea'],['Alcea setosa'],6,0,6.0 16174,2349,-1,,,,0.0,MS1_match,VWBWQPAZMNABMR-MJKWJQFASA-N,"InChI=1S/C21H22O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-26,28-29H,7H2/t13-,15-,17+,18-,19-,20-,21+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C21H22O11,pos_1_1sodium,450.116211524,VWBWQPAZMNABMR,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Alcea rosea,97193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Alcea'],['Alcea rosea'],6,0,6.0 16175,2349,-1,,,,0.0,MS1_match,CAZMOEBMJUTRMK-VVHLPZDHSA-N,"InChI=1S/C21H22O11/c1-6-13(23)15(25)12-10-7(21(2,3)32-18(6)10)4-8(11(12)19(28)29)30-20-17(27)16(26)14(24)9(5-22)31-20/h4,9,14,16-17,20,22,24,26-27H,5H2,1-3H3,(H,28,29)/t9-,14-,16+,17-,20-/m1/s1",CC1=C2OC(C)(C)c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(C(=O)O)c(c32)C(=O)C1=O,C21H22O11,pos_1_1sodium,450.1162115239999,CAZMOEBMJUTRMK,Terpenoids,Sesquiterpenoids,,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 16176,2349,-1,,,,0.0,MS1_match,CAZMOEBMJUTRMK-VVHLPZDHSA-N,"InChI=1S/C21H22O11/c1-6-13(23)15(25)12-10-7(21(2,3)32-18(6)10)4-8(11(12)19(28)29)30-20-17(27)16(26)14(24)9(5-22)31-20/h4,9,14,16-17,20,22,24,26-27H,5H2,1-3H3,(H,28,29)/t9-,14-,16+,17-,20-/m1/s1",CC1=C2OC(C)(C)c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(C(=O)O)c(c32)C(=O)C1=O,C21H22O11,pos_1_1sodium,450.1162115239999,CAZMOEBMJUTRMK,Terpenoids,Sesquiterpenoids,,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0 16177,2349,-1,,,,0.0,MS1_match,ZROGCCBNZBKLEL-AMNHTRGSSA-N,"InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20+,21+/m1/s1",C[C@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O,C21H22O11,pos_1_1sodium,450.1162115239998,ZROGCCBNZBKLEL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Durio zibethinus,236622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Durio'],['Durio zibethinus'],6,0,6.0 16178,2349,-1,,,,0.0,MS1_match,ZROGCCBNZBKLEL-AMNHTRGSSA-N,"InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20+,21+/m1/s1",C[C@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O,C21H22O11,pos_1_1sodium,450.1162115239998,ZROGCCBNZBKLEL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Durio zibethinus,236622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Durio'],['Durio zibethinus'],6,0,6.0 16179,2348,688,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7949488,ISDB,VWBWQPAZMNABMR-MJKWJQFASA-N,"InChI=1S/C21H22O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-26,28-29H,7H2/t13-,15-,17+,18-,19-,20-,21+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C21H22O11,,450.116211524,VWBWQPAZMNABMR,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Alcea rosea,97193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Alcea'],['Alcea rosea'],6,3,10.679795265197754 16180,2348,688,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7949488,ISDB,VWBWQPAZMNABMR-MJKWJQFASA-N,"InChI=1S/C21H22O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-26,28-29H,7H2/t13-,15-,17+,18-,19-,20-,21+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C21H22O11,,450.116211524,VWBWQPAZMNABMR,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Alcea setosa,908644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Alcea'],['Alcea setosa'],6,3,10.679795265197754 16181,2347,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.5144708,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],7,2,10.057883262634277 16182,2347,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.5144708,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],7,2,10.057883262634277 16183,2346,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.46532017,ISDB,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],7,2,9.861280679702759 16184,2346,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.46532017,ISDB,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],7,2,9.861280679702759 16185,2345,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6656484,ISDB,CJLFWRBPNXIPHA-UHFFFAOYSA-N,"InChI=1S/C14H10O4/c15-7-10-5-13-14(18-8-17-13)6-12(10)9-1-3-11(16)4-2-9/h1-7,16H,8H2",O=Cc1cc2c(cc1-c1ccc(O)cc1)OCO2,C14H10O4,,242.0579088,CJLFWRBPNXIPHA,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Crinum bulbispermum,639815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum bulbispermum'],4,1,7.162593603134155 16186,2343,1581,Polyketides,Chromanes,Chromones,0.8127456,ISDB,OZNMEZAXFKUCPN-UHFFFAOYSA-N,"InChI=1S/C9H6O5/c10-4-1-5(11)8-7(2-4)14-3-6(12)9(8)13/h1-3,10-12H",O=c1c(O)coc2cc(O)cc(O)c12,C9H6O5,,194.021523292,OZNMEZAXFKUCPN,Polyketides,Chromanes,Chromones,Ampelopsis cantoniensis,769612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Ampelopsideae'],['Nekemias'],['Nekemias cantoniensis'],4,3,8.750982284545898 16187,2341,-1,,,,0.5273003,ISDB,VEIMKBPJMXUHHF-LBPRGKRZSA-N,"InChI=1S/C19H19NO5/c1-22-18-16-11-7-14-13(24-8-25-14)6-9(11)5-12-15(16)10(3-4-20-12)17(21)19(18)23-2/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1",COc1c(O)c2c3c(c1OC)-c1cc4c(cc1C[C@@H]3NCC2)OCO4,C19H19NO5,,341.126322708,VEIMKBPJMXUHHF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,0,6.109201192855835 16188,2341,-1,,,,0.5273003,ISDB,VEIMKBPJMXUHHF-LBPRGKRZSA-N,"InChI=1S/C19H19NO5/c1-22-18-16-11-7-14-13(24-8-25-14)6-9(11)5-12-15(16)10(3-4-20-12)17(21)19(18)23-2/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1",COc1c(O)c2c3c(c1OC)-c1cc4c(cc1C[C@@H]3NCC2)OCO4,C19H19NO5,,341.126322708,VEIMKBPJMXUHHF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Xylopia parviflora,1030229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia parviflora'],4,0,6.109201192855835 16189,2340,-1,,,,0.7083072,ISDB,TWPBLWBNALQAFO-UHFFFAOYSA-N,"InChI=1S/C19H16O5/c1-23-17-8-12(5-6-15(17)21)19-13(10-20)4-3-11-7-18(24-2)16(22)9-14(11)19/h3-10,21-22H,1-2H3",COc1cc(-c2c(C=O)ccc3cc(OC)c(O)cc23)ccc1O,C19H16O5,,324.099773612,TWPBLWBNALQAFO,Shikimates and Phenylpropanoids,,,Vitex negundo,614659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex negundo'],4,0,6.833228826522827 16190,2337,-1,,,,0.8988542,ISDB,IBBJBVLTEQHUQV-ZUDQDPCPSA-N,"InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@H]5C,C27H46N2O,,414.361014092,IBBJBVLTEQHUQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.595416784286499 16191,2336,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.70065683,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,13.302627325057983 16192,2335,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 16193,2335,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 16194,2335,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 16195,2335,-1,,,,0.0,MS1_match,CZOXIGOPZRIBJM-JUIPTLLLSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,CZOXIGOPZRIBJM,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 16196,2334,688,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 16197,2334,688,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 16198,2334,688,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 16199,2334,688,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,CZOXIGOPZRIBJM-JUIPTLLLSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.111126144,CZOXIGOPZRIBJM,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 16200,2333,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 16201,2332,328,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,0.9218819,ISDB,SAEZZWNICTYMTI-UHFFFAOYSA-N,"InChI=1S/C14H16O4/c1-8-3-5-13-7-10(16)17-11(13)12(2)9(15)4-6-14(8,12)18-13/h4,6,8,11H,3,5,7H2,1-2H3",CC1CCC23CC(=O)OC2C2(C)C(=O)C=CC12O3,C14H16O4,,248.104858992,SAEZZWNICTYMTI,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Parthenium hysterophorus,875356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium hysterophorus'],4,3,9.187527656555176 16202,2330,-1,,,,0.0,MS1_match,UGWAFWFSLCHCJD-UVPQXQFPSA-N,"InChI=1S/C23H28O14/c1-2-10-11(3-4-34-21(33)9-5-13(25)16(27)14(26)6-9)12(20(31)32)8-35-22(10)37-23-19(30)18(29)17(28)15(7-24)36-23/h2,5-6,8,10-11,15,17-19,22-30H,1,3-4,7H2,(H,31,32)/t10-,11+,15-,17-,18+,19-,22+,23+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CCOC(=O)c1cc(O)c(O)c(O)c1,C23H28O14,pos_1_1sodium,528.147905576,UGWAFWFSLCHCJD,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 16203,2329,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,UGWAFWFSLCHCJD-UVPQXQFPSA-N,"InChI=1S/C23H28O14/c1-2-10-11(3-4-34-21(33)9-5-13(25)16(27)14(26)6-9)12(20(31)32)8-35-22(10)37-23-19(30)18(29)17(28)15(7-24)36-23/h2,5-6,8,10-11,15,17-19,22-30H,1,3-4,7H2,(H,31,32)/t10-,11+,15-,17-,18+,19-,22+,23+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CCOC(=O)c1cc(O)c(O)c(O)c1,C23H28O14,pos_1_1proton1ammonium,528.147905576,UGWAFWFSLCHCJD,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16204,2328,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.5144089,ISDB,FDARKUSEVNCTHK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H",Oc1cc(O)cc(-c2cc3cc(O)c(O)cc3o2)c1,C14H10O5,,258.05282342000004,FDARKUSEVNCTHK,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],5,1,7.557635545730591 16205,2326,-1,,,,0.7131448,ISDB,LSMSSYSRCUNIFX-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3-8H,1-2H3",CC=Cc1ccc(C)cc1,C10H12,,132.093900384,LSMSSYSRCUNIFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],5,0,7.852579116821289 16206,2325,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6838077,ISDB,MNIDWWPXTZZMMY-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O20,,756.21129368,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,11.235230684280396 16207,2325,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6838077,ISDB,MNIDWWPXTZZMMY-WCXZTFTOSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,,756.2112936800003,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,11.235230684280396 16208,2325,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6838077,ISDB,MNIDWWPXTZZMMY-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O20,,756.21129368,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,11.235230684280396 16209,2322,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6211032,ISDB,ODQOCJVSQCAFKC-GSTPBQSSSA-N,"InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h9,16-19,21-22,25H,7-8,10-15H2,1-6H3/t16-,17-,18-,19-,21-,22-,23-,24+/m0/s1",CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1,C24H42N2,,358.33479934400003,ODQOCJVSQCAFKC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,9.984412908554077 16210,2321,-1,,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus pinnatus,934083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus pinnatus'],6,0,6.0 16211,2321,-1,,,,0.0,MS1_match,SMUMBCREXHTKFN-KTUGSKGLSA-N,"InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11-,12-,13-,14+,15+,16+,17-,18+,19-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C19H28O10,pos_1_1sodium,416.1682470959998,SMUMBCREXHTKFN,Shikimates and Phenylpropanoids,,,Margyricarpus setosus,664139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Margyricarpus'],['Margyricarpus setosus'],6,0,6.0 16212,2320,426,Polyketides,Cyclic polyketides,Furans,0.36099526,ISDB,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,9.943981051445007 16213,2317,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MNIDWWPXTZZMMY-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_1sodium,756.21129368,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,8.5 16214,2317,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MNIDWWPXTZZMMY-WCXZTFTOSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_1sodium,756.2112936800003,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 16215,2317,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MNIDWWPXTZZMMY-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_1sodium,756.21129368,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 16216,2317,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MNIDWWPXTZZMMY-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_1sodium,756.21129368,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus petiolaris,549749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus saxatilis'],7,3,8.5 16217,2317,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MNIDWWPXTZZMMY-WCXZTFTOSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_1sodium,756.2112936800003,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus disperma,6109464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus disperma'],7,3,8.5 16218,2317,1801,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MNIDWWPXTZZMMY-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-9-19(38)23(42)25(44)32(49-9)52-29-20(39)10(2)48-31(27(29)46)47-8-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-15(37)6-12(34)7-16(18)50-28(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,29,31-40,42-46H,8H2,1-2H3",CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_1sodium,756.21129368,MNIDWWPXTZZMMY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,3,8.5 16219,2316,-1,,,,0.0,MS1_match,CZYPGTRKJFYXLT-SUHXYMONSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.2097179839999,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 16220,2316,-1,,,,0.0,MS1_match,CZYPGTRKJFYXLT-SUHXYMONSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.2097179839999,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 16221,2313,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.78695923,ISDB,JYHZFCAVESZNKO-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3",COc1cc(CCC(=O)C=CCCc2ccc(O)cc2)ccc1O,C20H22O4,,326.151809184,JYHZFCAVESZNKO,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,3,8.647836923599243 16222,2313,10,Shikimates and Phenylpropanoids,Lignans,Linear diarylheptanoids,0.78695923,ISDB,JYHZFCAVESZNKO-UHFFFAOYSA-N,"InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3",COc1cc(CCC(=O)C=CCCc2ccc(O)cc2)ccc1O,C20H22O4,,326.151809184,JYHZFCAVESZNKO,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Curcuma kwangsiensis,168279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma kwangsiensis'],4,3,8.647836923599243 16223,2312,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 16224,2312,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 16225,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MLIQJRVPWRKGIO-BPJZXJLTSA-N,"InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C52H84O21,pos_2_1proton1potassium,1044.550509708,MLIQJRVPWRKGIO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia elata,322272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia elata'],6,0,6.0 16226,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MLIQJRVPWRKGIO-BPJZXJLTSA-N,"InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C52H84O21,pos_2_1proton1potassium,1044.550509708,MLIQJRVPWRKGIO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia decaisneana,3886511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia decaisneana'],6,0,6.0 16227,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MLIQJRVPWRKGIO-BIRDKCKZSA-N,"InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25-,26+,27-,28-,29?,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43-,44+,45+,49+,50-,51-,52+/m1/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@H]2C1,C52H84O21,pos_2_1proton1potassium,1044.550509708,MLIQJRVPWRKGIO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia dasyphylla,312594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia dasyphylla'],6,0,6.0 16228,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,MLIQJRVPWRKGIO-BPJZXJLTSA-N,"InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C52H84O21,pos_2_1proton1potassium,1044.550509708,MLIQJRVPWRKGIO,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia chinensis,585730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia chinensis'],6,0,6.0 16229,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,YPTZWNDFFKGKQK-JXZQIZKZSA-N,"InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-45-39(63)35(59)34(58)28(70-45)22-68-42-40(64)36(60)41(27(19-53)69-42)72-44-38(62)33(57)26(55)21-67-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)71-43-37(61)32(56)25(54)20-66-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,49-,50+,51+,52-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C52H84O21,pos_2_1proton1potassium,1044.550509708,YPTZWNDFFKGKQK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Hedera caucasigena,402601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera caucasigena'],6,0,6.0 16230,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BECKQSNYULYJHB-LQKGKWEGSA-N,"InChI=1S/C52H84O21/c1-23-32(56)40(72-42-37(61)35(59)28(21-67-42)70-43-38(62)36(60)34(58)27(19-53)69-43)39(63)44(68-23)73-41-33(57)26(55)20-66-45(41)71-31-11-12-48(4)29(49(31,5)22-54)10-13-51(7)30(48)9-8-24-25-18-47(2,3)14-16-52(25,46(64)65)17-15-50(24,51)6/h8,23,25-45,53-63H,9-22H2,1-7H3,(H,64,65)/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51+,52-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O,C52H84O21,pos_2_1proton1potassium,1044.550509708,BECKQSNYULYJHB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Kalopanax septemlobus,488718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Kalopanax'],['Kalopanax septemlobus'],6,0,6.0 16231,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BECKQSNYULYJHB-LQKGKWEGSA-N,"InChI=1S/C52H84O21/c1-23-32(56)40(72-42-37(61)35(59)28(21-67-42)70-43-38(62)36(60)34(58)27(19-53)69-43)39(63)44(68-23)73-41-33(57)26(55)20-66-45(41)71-31-11-12-48(4)29(49(31,5)22-54)10-13-51(7)30(48)9-8-24-25-18-47(2,3)14-16-52(25,46(64)65)17-15-50(24,51)6/h8,23,25-45,53-63H,9-22H2,1-7H3,(H,64,65)/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51+,52-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O,C52H84O21,pos_2_1proton1potassium,1044.550509708,BECKQSNYULYJHB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Kalopanax septemlobus,488718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Kalopanax'],['Kalopanax septemlobus'],6,0,6.0 16232,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,HYSRWEMKEPVXRC-XVEHRWKZSA-N,"InChI=1S/C52H84O21/c1-22-10-15-52(47(65)73-45-40(64)37(61)35(59)28(19-54)69-45)17-16-50(6)24(32(52)23(22)2)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-46-42(72-43-38(62)33(57)25(55)20-66-43)41(26(56)21-67-46)71-44-39(63)36(60)34(58)27(18-53)68-44/h8,22-23,25-46,53-64H,9-21H2,1-7H3/t22-,23+,25-,26+,27-,28-,29+,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44+,45+,46+,49+,50-,51-,52+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C52H84O21,pos_2_1proton1potassium,1044.550509708,HYSRWEMKEPVXRC,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia decaisneana,3886511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia decaisneana'],6,0,6.0 16233,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FWJKWADRBDTGNP-UDHPZVBSSA-N,"InChI=1S/C52H84O21/c1-23-32(56)36(60)39(63)43(68-23)72-41-35(59)27(19-53)69-45(41)71-31-11-12-48(4)29(49(31,5)22-54)10-13-51(7)30(48)9-8-24-25-18-47(2,3)14-16-52(25,17-15-50(24,51)6)46(65)73-44-40(64)37(61)34(58)28(70-44)21-67-42-38(62)33(57)26(55)20-66-42/h8,23,25-45,53-64H,9-22H2,1-7H3/t23-,25-,26+,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37-,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51+,52-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)O[C@@H](CO)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C52H84O21,pos_2_1proton1potassium,1044.550509708,FWJKWADRBDTGNP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia elata,322272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia elata'],6,0,6.0 16234,2311,1345,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,KKOYZFANWKYAIZ-UHFFFAOYSA-N,"InChI=1S/C52H84O21/c1-23-32(56)36(60)39(63)43(69-23)72-41-34(58)27(55)20-67-45(41)71-31-11-12-48(4)29(49(31,5)22-53)10-13-51(7)30(48)9-8-24-25-18-47(2,3)14-16-52(25,17-15-50(24,51)6)46(65)73-44-40(64)37(61)35(59)28(70-44)21-68-42-38(62)33(57)26(54)19-66-42/h8,23,25-45,53-64H,9-22H2,1-7H3",CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(O)C1O,C52H84O21,pos_2_1proton1potassium,1044.550509708,KKOYZFANWKYAIZ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aralia elata,322272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia elata'],6,0,6.0 16235,2305,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78581184,ISDB,RAPBCTKCEDCANU-QNUDDIGYSA-N,"InChI=1S/C34H42O20/c1-10-20(38)23(41)26(44)33(49-10)53-29-11(2)50-32(28(46)25(29)43)48-9-18-21(39)24(42)27(45)34(52-18)54-31-22(40)19-15(37)7-13(35)8-17(19)51-30(31)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-21,23-29,32-39,41-46H,9H2,1-3H3/t10-,11-,18+,20-,21+,23+,24-,25-,26+,27+,28+,29-,32+,33-,34-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C34H42O20,,770.2269437440002,RAPBCTKCEDCANU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aerva lanata,410254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Amaranthaceae'],['Unknown'],['Aerva'],['Aerva lanata'],4,3,8.643247365951538 16236,2304,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.87186366,ISDB,ONFMRFRIMHKKRD-RMXRRYFASA-N,"InChI=1S/C28H32O16/c1-9(29)24-21(36)23(38)27(43-24)40-8-16-18(33)20(35)22(37)28(42-16)44-26-19(34)17-13(32)6-11(30)7-15(17)41-25(26)10-3-4-14(39-2)12(31)5-10/h3-7,9,16,18,20-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18+,20-,21-,22+,23+,24-,27+,28-/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H]([C@H](C)O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C28H32O16,,624.169034944,ONFMRFRIMHKKRD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],4,3,8.987454652786255 16237,2303,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.22069584,ISDB,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,8.382783353328705 16238,2302,-1,,,,0.0,MS1_match,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,pos_2MFe,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies grandis,343179.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies grandis'],6,0,6.0 16239,2302,-1,,,,0.0,MS1_match,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,pos_2MFe,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies concolor,876315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies concolor'],6,0,6.0 16240,2302,-1,,,,0.0,MS1_match,DOYKMKZYLAAOGH-DOEMEAPXSA-N,"InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC/C(C)=C/CO,C20H32O3,pos_2MFe,320.235144884,DOYKMKZYLAAOGH,Terpenoids,Diterpenoids,Labdane diterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,6.0 16241,2299,-1,,,,0.0,MS1_match,RUVINXPYWBROJD-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",CC=Cc1ccc(OC)cc1,C10H12O,pos_1_1proton1isopropanol,148.088815004,RUVINXPYWBROJD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 16242,2294,-1,,,,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],7,0,7.0 16243,2294,-1,,,,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],7,0,7.0 16244,2293,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7399801,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.459920406341553 16245,2293,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7399801,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.459920406341553 16246,2293,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7399801,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.459920406341553 16247,2293,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7399801,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.459920406341553 16248,2293,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7399801,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.459920406341553 16249,2293,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7399801,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.459920406341553 16250,2292,-1,,,,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 16251,2292,-1,,,,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 16252,2290,3039,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PNEKVLUOGHZVKV-YRRKUQMFSA-N,"InChI=1S/C26H28O14/c1-9(28)22-19(33)21(35)26(39-22)40-24-18(32)16-13(30)6-11(29)7-14(16)37-23(24)10-2-4-12(5-3-10)36-25-20(34)17(31)15(8-27)38-25/h2-7,9,15,17,19-22,25-31,33-35H,8H2,1H3/t9-,15-,17-,19-,20+,21+,22-,25+,26-/m0/s1",C[C@H](O)[C@@H]1O[C@@H](Oc2c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O,C26H28O14,pos_1_1sodium,564.147905576,PNEKVLUOGHZVKV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 16253,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 16254,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 16255,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,0,6.0 16256,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,6.0 16257,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-UHFFFAOYSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula humilis,567478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula humilis'],6,0,6.0 16258,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],6,0,6.0 16259,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-UHFFFAOYSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 16260,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],6,0,6.0 16261,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],6,0,6.0 16262,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],6,0,6.0 16263,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],6,0,6.0 16264,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula dahurica,495502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula davurica'],6,0,6.0 16265,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-UHFFFAOYSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula humilis,567478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula humilis'],6,0,6.0 16266,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],6,0,6.0 16267,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-UHFFFAOYSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 16268,2289,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],6,0,6.0 16269,2287,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.34522685,ISDB,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,10.880907416343689 16270,2286,-1,,,,0.5926704,ISDB,DUBVXSGAOWUPMY-VSGBNLITSA-N,"InChI=1S/C34H36N2O6/c1-40-32-16-22-9-11-35-27(25(22)18-30(32)38)13-20-3-6-24(7-4-20)42-34-15-21(5-8-29(34)37)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h3-8,15-19,27-28,35-39H,9-14H2,1-2H3/t27-,28-/m1/s1",COc1cc2c(cc1O)[C@@H](Cc1ccc(Oc3cc(C[C@H]4NCCc5cc(OC)c(O)cc54)ccc3O)cc1)NCC2,C34H36N2O6,,568.257336872,DUBVXSGAOWUPMY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Xylopia parviflora,1030229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia parviflora'],4,0,6.370681524276733 16271,2285,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.21144487,ISDB,HLXXMJDWTBXTOR-STQMWFEESA-N,"InChI=1S/C15H16N4O2/c20-14-12(6-10-4-2-1-3-5-10)18-15(21)13(19-14)7-11-8-16-9-17-11/h1-5,8-9,12-13H,6-7H2,(H,16,17)(H,18,21)(H,19,20)/t12-,13-/m0/s1",O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H]1Cc1ccccc1,C15H16N4O2,,284.127325752,HLXXMJDWTBXTOR,Amino acids and Peptides,Small peptides,Dipeptides,Streptomyces nigra,5883224.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces nigra'],0,3,2.3457794785499573 16272,2284,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.0,MS1_match,IJKLOQSJZVOJDT-XTRLWDFGSA-N,"InChI=1S/C32H30O6/c33-28(15-14-22-8-3-1-4-9-22)27-19-26-24-18-25(12-7-13-31(35)37-30(26)20-29(27)34)38-32(36,21-24)17-16-23-10-5-2-6-11-23/h1-6,8-11,14-17,19-20,24-25,34,36H,7,12-13,18,21H2/b15-14+,17-16+/t24-,25-,32-/m1/s1",O=C1CCC[C@@H]2C[C@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2cc(C(=O)/C=C/c3ccccc3)c(O)cc2O1,C32H30O6,pos_2_2proton1acetonitrile,510.20423868,IJKLOQSJZVOJDT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Cryptocarya obovata,706090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya obovata'],6,0,6.0 16273,2284,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.0,MS1_match,IJKLOQSJZVOJDT-BKYDPQKHSA-N,"InChI=1S/C32H30O6/c33-28(15-14-22-8-3-1-4-9-22)27-19-26-24-18-25(12-7-13-31(35)37-30(26)20-29(27)34)38-32(36,21-24)17-16-23-10-5-2-6-11-23/h1-6,8-11,14-17,19-20,24-25,34,36H,7,12-13,18,21H2/b15-14+,17-16+/t24-,25+,32-/m1/s1",O=C1CCC[C@H]2C[C@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2cc(C(=O)/C=C/c3ccccc3)c(O)cc2O1,C32H30O6,pos_2_2proton1acetonitrile,510.20423868,IJKLOQSJZVOJDT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Cryptocarya concinna,490063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya concinna'],6,0,6.0 16274,2283,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.43941754,ISDB,WIBJXLDWHFLFBG-SHUUEZRQSA-N,"InChI=1S/C10H13N5O4/c11-8-4-9(13-2-12-4)15-10(14-8)7-6(18)5(17)3(1-16)19-7/h2-3,5-7,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5-,6-,7-/m1/s1",Nc1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]c2ncnc1-2,C10H13N5O4,,267.096753896,WIBJXLDWHFLFBG,Alkaloids,,,Amaranthus spinosus,892632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Amaranthaceae'],['Unknown'],['Amaranthus'],['Amaranthus spinosus'],4,1,6.257670164108276 16275,2282,2943,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16276,2282,2943,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16277,2282,2943,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,YTZSBJLNMIQROD-RZYLQQLPSA-N,"InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6?,7-,9?,10?,11-,12?,13?,14?,16?,17?/m1/s1",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@@H]2C(C)OC(O)C[C@H]12,C17H26O11,pos_1_1sodium,406.147511652,YTZSBJLNMIQROD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16278,2281,613,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,pos_2_2proton,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16279,2279,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.22513728,ISDB,PZOSJQZCHVKTQJ-ZJUUUORDSA-N,"InChI=1S/C10H12O4/c1-7(11)14-10-3-2-8(12)6-9(10)13-5-4-10/h2-3,9H,4-6H2,1H3/t9-,10+/m1/s1",CC(=O)O[C@]12C=CC(=O)C[C@H]1OCC2,C10H12O4,,196.073558864,PZOSJQZCHVKTQJ,,,,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,0,7.900549113750458 16280,2278,2466,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.41164154,ISDB,ULDHMXUKGWMISQ-SECBINFHSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1",C=C(C)[C@@H]1CC=C(C)C(=O)C1,C10H14O,,150.104465068,ULDHMXUKGWMISQ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,1,8.146566152572632 16281,2277,-1,,,,0.6703285,ISDB,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.68131399154663 16282,2276,933,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8160639,ISDB,FMQQLXJREAGPHS-OAYLZIFXSA-N,"InChI=1S/C28H24O16/c29-11-6-14(32)19-17(7-11)42-25(9-1-2-12(30)13(31)3-9)26(22(19)37)44-28-24(39)23(38)21(36)18(43-28)8-41-27(40)10-4-15(33)20(35)16(34)5-10/h1-7,18,21,23-24,28-36,38-39H,8H2/t18-,21-,23+,24-,28+/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.1064346879999,FMQQLXJREAGPHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Quercus laurifolia,691464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus laurifolia'],5,3,9.76425552368164 16283,2276,933,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8160639,ISDB,FMQQLXJREAGPHS-OAYLZIFXSA-N,"InChI=1S/C28H24O16/c29-11-6-14(32)19-17(7-11)42-25(9-1-2-12(30)13(31)3-9)26(22(19)37)44-28-24(39)23(38)21(36)18(43-28)8-41-27(40)10-4-15(33)20(35)16(34)5-10/h1-7,18,21,23-24,28-36,38-39H,8H2/t18-,21-,23+,24-,28+/m1/s1",O=C(OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.1064346879999,FMQQLXJREAGPHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Quercus ilex,272692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus ilex'],5,3,9.76425552368164 16284,2273,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,3,10.5 16285,2272,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8214991,ISDB,YZCAVCYYHPLAIN-RSAUJLRYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17-,19-,20-,22-,23+,24+,25+,26-,27-,28-,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](OC[C@@H]3O[C@@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2C)[C@H](O)[C@@H](O)[C@H]1O,C33H40O19,,740.21637906,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],4,3,8.785996437072754 16286,2272,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8214991,ISDB,YZCAVCYYHPLAIN-VNIVLGJPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20+,22+,23-,24-,25+,26+,27+,28+,31+,32-,33-/m1/s1",C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2C)[C@@H](O)[C@@H](O)[C@@H]1O,C33H40O19,,740.21637906,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia eriantha,579330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia eriantha'],4,3,8.785996437072754 16287,2272,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8214991,ISDB,YZCAVCYYHPLAIN-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3",CC1OC(OC2C(C)OC(OCC3OC(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O19,,740.21637906,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia valvata,279924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia valvata'],4,3,8.785996437072754 16288,2272,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8214991,ISDB,YZCAVCYYHPLAIN-GNKNDYOOSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,22+,23-,24-,25+,26+,27+,28+,31+,32-,33-/m1/s1",C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@@H]3O)O[C@@H]2C)[C@@H](O)[C@@H](O)[C@@H]1O,C33H40O19,,740.2163790600001,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia arguta,686875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia arguta'],4,3,8.785996437072754 16289,2272,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8214991,ISDB,YZCAVCYYHPLAIN-GNKNDYOOSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,22+,23-,24-,25+,26+,27+,28+,31+,32-,33-/m1/s1",C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@@H]3O)O[C@@H]2C)[C@@H](O)[C@@H](O)[C@@H]1O,C33H40O19,,740.2163790600001,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia polygama,9477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia polygama'],4,3,8.785996437072754 16290,2270,204,Fatty acids,Diarylheptanoids,Glycerophosphocholines,0.27506676,ISDB,VZZQQZMZDJETCS-GUKRZAEASA-N,"InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-",COc1cc(CCC(=O)/C=C(O)/C=C/c2ccc(O)cc2)ccc1O,C20H20O5,,340.13107374,VZZQQZMZDJETCS,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Aframomum letestuanum,791472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum letestuanum'],4,2,6.100267052650452 16291,2265,1860,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,0.0,MS1_match,QMZKBAQNFAMESG-GBMAXXPESA-N,"InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1,C21H32O2,pos_1_minus1proton1iron,316.240230264,QMZKBAQNFAMESG,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,8.5 16292,2264,1078,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16293,2264,1078,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16294,2264,1078,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16295,2264,1078,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16296,2262,729,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XCXWMHRRISFUFF-HPJHKSEOSA-N,"InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)43-6-20(54)45(67,79-44(43)42(66)76-35-18(53)7-71-47(35,44)69)46(68)34(43)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18-,19+,30+,32-,33+,34+,35+,40-,43?,44+,45?,46+,47?/m0/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c4c1[C@@H]1C5(CC(=O)C(O)(O[C@]56C(=O)O[C@@H]5[C@@H](O)COC56O)[C@]1(O)O4)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1,C47H34O32,pos_1_1proton1ammonium,1110.103318928,XCXWMHRRISFUFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Carpinus laxiflora,731667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Carpinus'],['Carpinus laxiflora'],6,3,7.5 16297,2262,729,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XCXWMHRRISFUFF-HPJHKSEOSA-N,"InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)43-6-20(54)45(67,79-44(43)42(66)76-35-18(53)7-71-47(35,44)69)46(68)34(43)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18-,19+,30+,32-,33+,34+,35+,40-,43?,44+,45?,46+,47?/m0/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c4c1[C@@H]1C5(CC(=O)C(O)(O[C@]56C(=O)O[C@@H]5[C@@H](O)COC56O)[C@]1(O)O4)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1,C47H34O32,pos_1_1proton1ammonium,1110.103318928,XCXWMHRRISFUFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Carpinus laxiflora,731667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Carpinus'],['Carpinus laxiflora'],6,3,7.5 16298,2261,-1,,,,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 16299,2261,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 16300,2261,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 16301,2261,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 16302,2257,-1,,,,0.28584164,ISDB,YQIHQJXXKNXTBN-OWJZKWCUSA-N,"InChI=1S/C16H26O7/c1-15(2)7-4-10(18)16(15,3)5-8(7)22-14-13(21)12(20)11(19)9(6-17)23-14/h7-9,11-14,17,19-21H,4-6H2,1-3H3/t7-,8+,9+,11+,12-,13+,14+,16-/m0/s1",CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O7,,330.167853172,YQIHQJXXKNXTBN,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Soroseris hookeriana,1096837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Soroseris'],['Soroseris hookeriana'],4,0,5.143366575241089 16303,2256,-1,,,,0.37166715,ISDB,LSIXBBPOJBJQHN-DTORHVGOSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+",CC1=C(C)[C@H]2CC[C@@H]1C2,C9H14,,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],5,0,6.486668586730957 16304,2255,-1,,,,0.45105535,ISDB,SFVUIUUSVAMYPP-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-7-5-3-4-6-8(2)9-7/h3-6H,1-2H3",CC1=CC=CC=C(C)O1,C8H10O,,122.07316494,SFVUIUUSVAMYPP,Polyketides,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,5.8042213916778564 16305,2254,3267,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6125396,ISDB,RSYUFYQTACJFML-DZGCQCFKSA-N,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1,C15H14O5,,274.084123548,RSYUFYQTACJFML,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hovenia dulcis,870613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Hovenia'],['Hovenia dulcis'],6,3,9.95015835762024 16306,2254,3267,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6125396,ISDB,RSYUFYQTACJFML-UKRRQHHQSA-N,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1,C15H14O5,,274.084123548,RSYUFYQTACJFML,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],6,3,9.95015835762024 16307,2254,3267,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6125396,ISDB,RSYUFYQTACJFML-UKRRQHHQSA-N,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1,C15H14O5,,274.084123548,RSYUFYQTACJFML,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Tsuga chinensis,608487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga chinensis'],6,3,9.95015835762024 16308,2252,1203,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.53473824,ISDB,BJEHEPQJTRPTDU-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,1-2H3",CC#Cc1ccc(O)c(OC)c1,C10H10O2,,162.06807956,BJEHEPQJTRPTDU,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,8.13895297050476 16309,2251,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6828188,ISDB,LLNYPTNRKTUNSC-QXAKKESOSA-N,"InChI=1S/C19H18O4/c1-20-18-14-8-9-15-13(10-11-22-15)17(14)23-16(19(18)21-2)12-6-4-3-5-7-12/h3-11,16,18-19H,1-2H3/t16-,18+,19+/m0/s1",CO[C@H]1[C@H](OC)c2ccc3occc3c2O[C@H]1c1ccccc1,C19H18O4,,310.120509056,LLNYPTNRKTUNSC,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Hebestigma cubense,1085819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Hebestigma'],['Hebestigma cubense'],4,2,7.7312750816345215 16310,2251,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6828188,ISDB,LLNYPTNRKTUNSC-QXAKKESOSA-N,"InChI=1S/C19H18O4/c1-20-18-14-8-9-15-13(10-11-22-15)17(14)23-16(19(18)21-2)12-6-4-3-5-7-12/h3-11,16,18-19H,1-2H3/t16-,18+,19+/m0/s1",CO[C@H]1[C@H](OC)c2ccc3occc3c2O[C@H]1c1ccccc1,C19H18O4,,310.120509056,LLNYPTNRKTUNSC,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Lonchocarpus heptaphyllus,922295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus heptaphyllus'],4,2,7.7312750816345215 16311,2250,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6165287,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,7.96611475944519 16312,2250,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6165287,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,7.96611475944519 16313,2249,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IDOHCEDWHOEHNL-ZUDQDPCPSA-N,"InChI=1S/C27H48N2O/c1-17(29(7)8)22-18(30)15-25(5)20-10-9-19-23(2,3)21(28-6)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28,30H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C27H48N2O,pos_2_2proton,416.376664156,IDOHCEDWHOEHNL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16314,2249,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MDDPOAHYGDIGBP-ZUDQDPCPSA-N,"InChI=1S/C27H48N2O/c1-17(28-6)22-18(30-8)15-25(5)20-10-9-19-23(2,3)21(29-7)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28-29H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](OC)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C27H48N2O,pos_2_2proton,416.376664156,MDDPOAHYGDIGBP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16315,2248,1693,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6952465,ISDB,DLIIIVWLAGTXTQ-DVWWQNIHSA-N,"InChI=1S/C26H28O14/c27-10-3-1-9(2-4-10)15-6-13(30)17-11(28)5-12(29)18(24(17)39-15)25-22(35)21(34)20(33)16(40-25)8-38-26-23(36)19(32)14(31)7-37-26/h1-6,14,16,19-23,25-29,31-36H,7-8H2/t14-,16-,19+,20-,21+,22-,23-,25+,26+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C26H28O14,,564.147905576,DLIIIVWLAGTXTQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Tynanthus panurensis,343332.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Bignonieae'],['Tynanthus'],['Tynanthus panurensis'],3,3,7.280986070632935 16316,2248,1693,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6952465,ISDB,DLIIIVWLAGTXTQ-YMILNDFRSA-N,"InChI=1S/C26H28O14/c27-10-3-1-9(2-4-10)15-6-13(30)17-11(28)5-12(29)18(24(17)39-15)25-22(35)21(34)20(33)16(40-25)8-38-26-23(36)19(32)14(31)7-37-26/h1-6,14,16,19-23,25-29,31-36H,7-8H2/t14-,16+,19+,20-,21?,22?,23?,25+,26+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@@H](CO[C@@H]4OC[C@@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(O)cc(O)c12,C26H28O14,,564.147905576,DLIIIVWLAGTXTQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gypsophila paniculata,744290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Gypsophila'],['Gypsophila paniculata'],3,3,7.280986070632935 16317,2246,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6739805,ISDB,JQXBHAOCMVWRCI-UHFFFAOYSA-N,"InChI=1S/C18H18O4/c19-16-9-5-14-2-1-11-21-18(20)10-6-13-3-7-15(8-4-13)22-17(16)12-14/h3-5,7-9,12,19H,1-2,6,10-11H2",O=C1CCc2ccc(cc2)Oc2cc(ccc2O)CCCO1,C18H18O4,,298.12050905599995,JQXBHAOCMVWRCI,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],3,3,7.195921897888184 16318,2242,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IPKKOHWMHMKNLP-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(27-6)20-13-15-26(5)22-10-9-21-18(8-11-23(28-7)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23,27-28H,8-11,13-15H2,1-7H3",CNC(C)C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(NC)C4(C)C,C26H44N2,pos_1_1proton1methanol,384.350449408,IPKKOHWMHMKNLP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16319,2242,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLRWQHLWCXUJEL-UHFFFAOYSA-N,"InChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3",CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C,C26H44N2,pos_1_1proton1methanol,384.350449408,JLRWQHLWCXUJEL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16320,2242,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVGUDMTZIJXYDY-XSWJKVCQSA-N,"InChI=1S/C26H44N2/c1-17(27)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(28(6)7)24(21,2)3/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3/t17-,20+,21+,22+,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2,pos_1_1proton1methanol,384.350449408,UVGUDMTZIJXYDY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16321,2242,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MDDPOAHYGDIGBP-ZUDQDPCPSA-N,"InChI=1S/C27H48N2O/c1-17(28-6)22-18(30-8)15-25(5)20-10-9-19-23(2,3)21(29-7)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28-29H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](OC)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C27H48N2O,pos_1_1proton,416.376664156,MDDPOAHYGDIGBP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16322,2242,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IDOHCEDWHOEHNL-ZUDQDPCPSA-N,"InChI=1S/C27H48N2O/c1-17(29(7)8)22-18(30)15-25(5)20-10-9-19-23(2,3)21(28-6)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28,30H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C27H48N2O,pos_1_1proton,416.376664156,IDOHCEDWHOEHNL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16323,2241,-1,,,,0.3610163,ISDB,IGAZICCJUZHSIG-JZQHNQJASA-N,"InChI=1S/C30H36O14/c31-14-20-23(35)25(37)27(39)29(42-20)44-28-26(38)24(36)21(15-41-22(34)12-7-17-5-10-19(33)11-6-17)43-30(28)40-13-1-2-16-3-8-18(32)9-4-16/h1-12,20-21,23-33,35-39H,13-15H2/b2-1+,12-7+/t20-,21-,23-,24-,25+,26+,27-,28-,29+,30-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC/C=C/c2ccc(O)cc2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C30H36O14,,620.210505832,IGAZICCJUZHSIG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Boschniakia rossica,722922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Orobancheae'],['Boschniakia'],['Boschniakia rossica'],4,0,5.44406521320343 16324,2239,58,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.91200006,ISDB,LSXMHNJGHRDFGB-MUGBGTHKSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,10-12,16H,4-5H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1",CC1=C[C@@H](O)[C@@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13,C15H18O4,,262.120509056,LSXMHNJGHRDFGB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Meeboldia yunnanensis,417161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Meeboldia'],['Meeboldia yunnanensis'],3,3,8.148000240325928 16325,2238,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,DKOVFEOUMNYYQW-SMYHHOMKSA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(34-12)33-11-16-15-8-13(4-3-7-26)9-18(28)24(15)35-23(16)14-5-6-17(27)19(10-14)32-2/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C25H32O10,pos_1_1proton1ammonium,492.199547224,DKOVFEOUMNYYQW,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 16326,2238,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1proton1ammonium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 16327,2238,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1proton1ammonium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 16328,2238,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PHHIEOZUONPPQY-QDCFJCCASA-N,"InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23-,25-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C25H32O10,pos_1_1proton1ammonium,492.19954722399984,PHHIEOZUONPPQY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,7.5 16329,2237,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton1isopropanol,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,1,7.5 16330,2236,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7865592,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.646236896514893 16331,2236,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7865592,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.646236896514893 16332,2235,-1,,,,0.0,MS1_match,SGCHZBKQDFNHSL-UHFFFAOYSA-N,"InChI=1S/C19H26O3/c1-17(2,21)12-6-7-14-13(10-12)15(20)11-16-18(14,3)8-5-9-19(16,4)22/h6-7,10,16,21-22H,5,8-9,11H2,1-4H3",CC(C)(O)c1ccc2c(c1)C(=O)CC1C(C)(O)CCCC21C,C19H26O3,pos_1_minus1proton1iron,302.188194692,SGCHZBKQDFNHSL,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,0,6.0 16333,2234,-1,,,,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_1_1proton1ammonium,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16334,2234,-1,,,,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_1_1proton,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16335,2234,-1,,,,0.0,MS1_match,UJGXCOFZMJCRLN-YDDBCJSBSA-N,"InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17+,18+,19-,20+,21+,22+,23-/m1/s1",C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H39NO,pos_1_1proton1acetonitrile,345.303164868,UJGXCOFZMJCRLN,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16336,2233,1874,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_1_1proton,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16337,2232,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_2_2proton1ammonium,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16338,2232,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_2_2proton,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16339,2230,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 16340,2230,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 16341,2230,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 16342,2230,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 16343,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,MBKKEBKZSKSAPX-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-13(21)19(24-3)17-15(11)12(20)8-10-4-5-14(23-2)18(22)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.147058152,MBKKEBKZSKSAPX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne pruinosa,716859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne pruinosa'],6,3,7.5 16344,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea lecardii,6026679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea lecardii'],6,3,7.5 16345,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,3,7.5 16346,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],6,3,7.5 16347,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,PQBKKPXFZHPMRG-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-14(21)16(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.147058152,PQBKKPXFZHPMRG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,7.5 16348,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea leefeana,5232012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea leefeana'],6,3,7.5 16349,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,DYAAXURJUVSJEZ-AWEZNQCLSA-N,"InChI=1S/C18H17NO3/c1-19-5-4-11-7-15-18(22-9-21-15)17-13-8-12(20)3-2-10(13)6-14(19)16(11)17/h2-3,7-8,14,20H,4-6,9H2,1H3/t14-/m0/s1",CN1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)cc1-4)OCO3,C18H17NO3,pos_1_1proton1methanol,295.120843404,DYAAXURJUVSJEZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,3,7.5 16350,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Beilschmiedia alloiophylla,5699379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia alloiophylla'],6,3,7.5 16351,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra ramonensis,6027008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra ramonensis'],6,3,7.5 16352,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,3,7.5 16353,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba canelilla,6025330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba canelilla'],6,3,7.5 16354,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea gardneri,6026631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea gardneri'],6,3,7.5 16355,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,7.5 16356,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,3,7.5 16357,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,3,7.5 16358,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea laurifolia,6026678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea laurifolia'],6,3,7.5 16359,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,3,7.5 16360,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],6,3,7.5 16361,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea turfosa,6026817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea turfosa'],6,3,7.5 16362,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,7.5 16363,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea garciae,99957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea garciae'],6,3,7.5 16364,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,7.5 16365,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,3,7.5 16366,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,3,7.5 16367,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera pulcherrima var. hemsleyana,618123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera pulcherrima'],6,3,7.5 16368,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,7.5 16369,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea calophylla,6026573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea calophylla'],6,3,7.5 16370,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,3,7.5 16371,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea dealbata,893264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea dealbata'],6,3,7.5 16372,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne pruinosa,716859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne pruinosa'],6,3,7.5 16373,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe grandis,6027646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe grandis'],6,3,7.5 16374,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,3,7.5 16375,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Beilschmiedia kunstleri,5699367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia kunstleri'],6,3,7.5 16376,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,7.5 16377,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LZJRNLRASBVRRX-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LZJRNLRASBVRRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera sericea,5699254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera sericea'],6,3,7.5 16378,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,DYAAXURJUVSJEZ-AWEZNQCLSA-N,"InChI=1S/C18H17NO3/c1-19-5-4-11-7-15-18(22-9-21-15)17-13-8-12(20)3-2-10(13)6-14(19)16(11)17/h2-3,7-8,14,20H,4-6,9H2,1H3/t14-/m0/s1",CN1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)cc1-4)OCO3,C18H17NO3,pos_1_1proton1methanol,295.120843404,DYAAXURJUVSJEZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,3,7.5 16379,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,DYAAXURJUVSJEZ-CQSZACIVSA-N,"InChI=1S/C18H17NO3/c1-19-5-4-11-7-15-18(22-9-21-15)17-13-8-12(20)3-2-10(13)6-14(19)16(11)17/h2-3,7-8,14,20H,4-6,9H2,1H3/t14-/m1/s1",CN1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)cc1-4)OCO3,C18H17NO3,pos_1_1proton1methanol,295.120843404,DYAAXURJUVSJEZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Machilus forrestii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,3,7.5 16380,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,NHRRLWUDUAIRAB-AUUYWEPGSA-N,"InChI=1S/C18H17NO3/c1-19(20)7-6-12-9-15-18(22-10-21-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-,19-/m1/s1",C[N@@+]1([O-])CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3,C18H17NO3,pos_1_1proton1methanol,295.120843404,NHRRLWUDUAIRAB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea dealbata,893264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea dealbata'],6,3,7.5 16381,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,NVMGTUCOAQKLLO-DLBZAZTESA-N,"InChI=1S/C18H17NO3/c1-19-7-6-10-8-13-18(22-9-21-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17+/m0/s1",CN1CCc2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3,C18H17NO3,pos_1_1proton1methanol,295.120843404,NVMGTUCOAQKLLO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,3,7.5 16382,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,3,7.5 16383,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea calophylla,6026573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea calophylla'],6,3,7.5 16384,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,7.5 16385,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea pungens,467942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea pungens'],6,3,7.5 16386,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe grandis,6027646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe grandis'],6,3,7.5 16387,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,3,7.5 16388,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,7.5 16389,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,3,7.5 16390,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,3,7.5 16391,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Beilschmiedia alloiophylla,5699379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia alloiophylla'],6,3,7.5 16392,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,3,7.5 16393,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],6,3,7.5 16394,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,3,7.5 16395,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,7.5 16396,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,3,7.5 16397,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne speciosa,6025247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne speciosa'],6,3,7.5 16398,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera citriodora,6026476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera citriodora'],6,3,7.5 16399,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera erythrocarpa,971385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera erythrocarpa'],6,3,7.5 16400,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,7.5 16401,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea aciculata,615331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea aciculata'],6,3,7.5 16402,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,3,7.5 16403,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera benzoin,498693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera benzoin'],6,3,7.5 16404,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,VHFFCCOFVYXCRX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-22-15-8-11-6-13-17-10(4-5-20-13)7-16(23-2)19(24-3)18(17)12(11)9-14(15)21/h7-9,13,20-21H,4-6H2,1-3H3",COc1cc2c(cc1O)-c1c(OC)c(OC)cc3c1C(C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,VHFFCCOFVYXCRX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea sinuata,6027490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea sinuata'],6,3,7.5 16405,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,7.5 16406,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,3,7.5 16407,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,GVVXPMORGFYVOO-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(OC)c-2c31,C19H21NO4,pos_1_1proton,327.147058152,GVVXPMORGFYVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,7.5 16408,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,HVMMFGYMZZVURQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)18(21)17(15)16(10)19(13)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3NCC2,C19H21NO4,pos_1_1proton,327.147058152,HVMMFGYMZZVURQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,3,7.5 16409,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,MULATNABYLUECQ-GFCCVEGCSA-N,"InChI=1S/C19H21NO4/c1-22-14-9-11-6-7-20-12-8-10-4-5-13(21)18(23-2)16(10)17(15(11)12)19(14)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m1/s1",COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@H]3NCC2,C19H21NO4,pos_1_1proton,327.147058152,MULATNABYLUECQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,3,7.5 16410,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,OHDQLTAYHMLRBA-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,OHDQLTAYHMLRBA,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,7.5 16411,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,OHDQLTAYHMLRBA-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,OHDQLTAYHMLRBA,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,7.5 16412,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,OHDQLTAYHMLRBA-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,OHDQLTAYHMLRBA,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,3,7.5 16413,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,OHDQLTAYHMLRBA-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,OHDQLTAYHMLRBA,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,7.5 16414,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,OHDQLTAYHMLRBA-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,OHDQLTAYHMLRBA,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,3,7.5 16415,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,OHDQLTAYHMLRBA-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)19(24-3)17(15)16(10)18(13)21/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,OHDQLTAYHMLRBA,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba canelilla,6025330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba canelilla'],6,3,7.5 16416,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,3,7.5 16417,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,3,7.5 16418,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra membranacea,483595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra membranacea'],6,3,7.5 16419,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,3,7.5 16420,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Beilschmiedia alloiophylla,5699379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia alloiophylla'],6,3,7.5 16421,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea lecardii,6026679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea lecardii'],6,3,7.5 16422,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,3,7.5 16423,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,3,7.5 16424,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],6,3,7.5 16425,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea glaziovii,6027284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea glaziovii'],6,3,7.5 16426,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,3,7.5 16427,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,3,7.5 16428,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,3,7.5 16429,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,3,7.5 16430,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba muca,6025345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba muca'],6,3,7.5 16431,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,7.5 16432,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,7.5 16433,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea caesia,6027187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea caesia'],6,3,7.5 16434,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,3,7.5 16435,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 16436,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,3,7.5 16437,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,3,7.5 16438,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba canelilla,6025330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba canelilla'],6,3,7.5 16439,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea gardneri,6026631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea gardneri'],6,3,7.5 16440,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-CYBMUJFWSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Licaria triandra,971383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria triandra'],6,3,7.5 16441,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-CYBMUJFWSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,3,7.5 16442,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra pichurim,5699186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra pichurim'],6,3,7.5 16443,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,7.5 16444,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera sericea,5699254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera sericea'],6,3,7.5 16445,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,3,7.5 16446,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,MBKKEBKZSKSAPX-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-13(21)19(24-3)17-15(11)12(20)8-10-4-5-14(23-2)18(22)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.147058152,MBKKEBKZSKSAPX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,7.5 16447,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,MBKKEBKZSKSAPX-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-13(21)19(24-3)17-15(11)12(20)8-10-4-5-14(23-2)18(22)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.147058152,MBKKEBKZSKSAPX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,3,7.5 16448,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,MBKKEBKZSKSAPX-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-13(21)19(24-3)17-15(11)12(20)8-10-4-5-14(23-2)18(22)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.147058152,MBKKEBKZSKSAPX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,3,7.5 16449,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,MBKKEBKZSKSAPX-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-13(21)19(24-3)17-15(11)12(20)8-10-4-5-14(23-2)18(22)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.147058152,MBKKEBKZSKSAPX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,3,7.5 16450,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,3,7.5 16451,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,3,7.5 16452,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,3,7.5 16453,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,7.5 16454,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea holdridgeiana,6027302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea holdridgeiana'],6,3,7.5 16455,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,3,7.5 16456,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,3,7.5 16457,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,3,7.5 16458,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,7.5 16459,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WHFUDAOCYRYAKQ-LBPRGKRZSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.14705815200006,WHFUDAOCYRYAKQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea holdridgeiana,6027302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea holdridgeiana'],6,3,7.5 16460,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZBFSMPOCZMVCMC-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(22)19(24-3)17-15(11)12(20)8-10-4-5-13(21)18(23-2)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3",COc1c(O)ccc2c1-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.147058152,ZBFSMPOCZMVCMC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera megaphylla,356810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera megaphylla'],6,3,7.5 16461,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,PLEOQAHCVRVCDL-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,pos_1_1proton,327.147058152,PLEOQAHCVRVCDL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Licaria armeniaca,6026396.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria armeniaca'],6,3,7.5 16462,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WESNQFFZIKGVLU-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-22-15-8-11-6-13-17-10(4-5-20-13)7-14(21)19(24-3)18(17)12(11)9-16(15)23-2/h7-9,13,20-21H,4-6H2,1-3H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,WESNQFFZIKGVLU,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha,218936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Unknown'],6,3,7.5 16463,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,WESNQFFZIKGVLU-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-22-15-8-11-6-13-17-10(4-5-20-13)7-14(21)19(24-3)18(17)12(11)9-16(15)23-2/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C19H21NO4,pos_1_1proton,327.147058152,WESNQFFZIKGVLU,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 16464,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-CYBMUJFWSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Licaria triandra,971383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria triandra'],6,3,7.5 16465,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-CYBMUJFWSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,3,7.5 16466,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,3,7.5 16467,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,7.5 16468,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,7.5 16469,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,7.5 16470,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,3,7.5 16471,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,3,7.5 16472,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,7.5 16473,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,7.5 16474,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,7.5 16475,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,3,7.5 16476,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,7.5 16477,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,7.5 16478,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,7.5 16479,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,3,7.5 16480,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,3,7.5 16481,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera sericea,5699254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera sericea'],6,3,7.5 16482,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,7.5 16483,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,3,7.5 16484,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra membranacea,483595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra membranacea'],6,3,7.5 16485,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,3,7.5 16486,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Beilschmiedia alloiophylla,5699379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia alloiophylla'],6,3,7.5 16487,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea lecardii,6026679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea lecardii'],6,3,7.5 16488,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,3,7.5 16489,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,3,7.5 16490,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],6,3,7.5 16491,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea glaziovii,6027284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea glaziovii'],6,3,7.5 16492,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,3,7.5 16493,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,3,7.5 16494,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,3,7.5 16495,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba muca,6025345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba muca'],6,3,7.5 16496,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra pichurim,5699186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra pichurim'],6,3,7.5 16497,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,7.5 16498,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,7.5 16499,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea caesia,6027187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea caesia'],6,3,7.5 16500,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-CYBMUJFWSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,3,7.5 16501,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 16502,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-CYBMUJFWSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.147058152,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Licaria triandra,971383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria triandra'],6,3,7.5 16503,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba canelilla,6025330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba canelilla'],6,3,7.5 16504,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,3,7.5 16505,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,3,7.5 16506,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera sericea,5699254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera sericea'],6,3,7.5 16507,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,7.5 16508,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,3,7.5 16509,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra membranacea,483595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra membranacea'],6,3,7.5 16510,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,3,7.5 16511,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Beilschmiedia alloiophylla,5699379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia alloiophylla'],6,3,7.5 16512,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea lecardii,6026679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea lecardii'],6,3,7.5 16513,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,3,7.5 16514,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,3,7.5 16515,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],6,3,7.5 16516,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea glaziovii,6027284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea glaziovii'],6,3,7.5 16517,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,3,7.5 16518,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,3,7.5 16519,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,3,7.5 16520,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba muca,6025345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba muca'],6,3,7.5 16521,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra pichurim,5699186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra pichurim'],6,3,7.5 16522,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,7.5 16523,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,7.5 16524,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea caesia,6027187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea caesia'],6,3,7.5 16525,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,3,7.5 16526,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 16527,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,3,7.5 16528,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,3,7.5 16529,2229,1355,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,pos_1_1proton,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea gardneri,6026631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea gardneri'],6,3,7.5 16530,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-VSRLVKTQSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+",C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],4,3,6.519068360328674 16531,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-VSRLVKTQSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+",C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Salmea scandens,174201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Salmea'],['Salmea scandens'],4,3,6.519068360328674 16532,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-VSRLVKTQSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+",C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Asarum heterotropoides,232656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum heterotropoides'],4,3,6.519068360328674 16533,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-VSLPJPFQSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4?,7-6+,11-10?,13-12?",CC=C/C=C/CCC=CC=CC(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Rhodanthemum hosmariense,614009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Rhodanthemum'],['Rhodanthemum hosmariense'],4,3,6.519068360328674 16534,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-SRGJGADKSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,7-6-,11-10+,13-12+",C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Asarum forbesii,1090082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum forbesii'],4,3,6.519068360328674 16535,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-FFCXAGQXSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,7-6-,11-10-,13-12+",C/C=C/C=C\CC/C=C\C=C\C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,3,6.519068360328674 16536,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-COQTXXIUSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4?,7-6+,11-10+,13-12+",CC=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Acmella caulirhiza,7051538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella caulirhiza'],4,3,6.519068360328674 16537,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-WMHJKGSOSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4?,7-6?,11-10+,13-12+",CC=CC=CCC/C=C/C=C/C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Asarum sieboldii,188881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Asarum'],['Asarum sieboldii'],4,3,6.519068360328674 16538,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-VSRLVKTQSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+",C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Spilanthes acmella,947138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Blainvillea'],['Blainvillea acmella'],4,3,6.519068360328674 16539,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-UHFFFAOYSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)",CC=CC=CCCC=CC=CC(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Echinacea pallida,608924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea pallida'],4,3,6.519068360328674 16540,2227,438,Fatty acids,Fatty amides,N-acyl amines,0.2547671,ISDB,VLGRWXYRKYWRPX-VSRLVKTQSA-N,"InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+",C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C,C16H25NO,,247.19361442,VLGRWXYRKYWRPX,Fatty acids,Fatty amides,N-acyl amines,Echinacea angustifolia,618371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea angustifolia'],4,3,6.519068360328674 16541,2220,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29075074,ISDB,MOJZMWJRUKIQGL-LKMJJRCWSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38+,39+,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus miyagii,239489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus miyagii'],5,3,7.663002967834473 16542,2220,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29075074,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Thujopsis dolabrata,665925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thujopsis'],['Thujopsis dolabrata'],5,3,7.663002967834473 16543,2220,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29075074,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Castanea,452591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Unknown'],5,3,7.663002967834473 16544,2219,539,Alkaloids,Ornithine alkaloids,Polyamines,0.73147696,ISDB,YUUGXIVVDZSRNR-UHFFFAOYSA-N,"InChI=1S/C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19/h5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)",COc1cc(C=CC(=O)NCCCCNCCCNC(=O)C=Cc2ccc(O)c(O)c2)ccc1O,C26H33N3O6,,483.236935776,YUUGXIVVDZSRNR,Alkaloids,Ornithine alkaloids,Polyamines,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,10.425907850265503 16545,2218,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 16546,2218,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,3,9.5 16547,2213,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.40376112,ISDB,XYWFSSFJPFAYCA-JRJNMRRASA-O,"InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18-,19-,21-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(O)c1O,C21H21O11+,,449.10783791209,XYWFSSFJPFAYCA,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,1,10.115044474601746 16548,2212,-1,,,,0.0,MS1_match,MFWGLPLRRMATKY-BLYKTPPTSA-N,"InChI=1S/C28H32O17/c1-40-23-12(33)6-11(32)15-18(36)25(22(43-24(15)23)9-2-4-10(31)5-3-9)44-28-26(20(38)17(35)14(8-30)42-28)45-27-21(39)19(37)16(34)13(7-29)41-27/h2-6,13-14,16-17,19-21,26-35,37-39H,7-8H2,1H3/t13-,14-,16-,17-,19+,20+,21-,26-,27+,28+/m1/s1",COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12,C28H32O17,pos_1_1sodium,640.163949564,MFWGLPLRRMATKY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 16549,2211,723,Alkaloids,Ornithine alkaloids,Piperidine alkaloids,0.3744738,ISDB,DCFUWQLCZRCSMG-IRXDYDNUSA-N,"InChI=1S/C19H34N2O3/c22-18(11-4-2-1-3-5-12-19(23)24)20-15-16-9-8-14-21-13-7-6-10-17(16)21/h16-17H,1-15H2,(H,20,22)(H,23,24)/t16-,17-/m0/s1",O=C(O)CCCCCCCC(=O)NC[C@@H]1CCCN2CCCC[C@@H]12,C19H34N2O3,,338.256942948,DCFUWQLCZRCSMG,Alkaloids,Ornithine alkaloids,,Sophora alopecuroides,571300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora alopecuroides'],4,2,6.497895240783691 16550,2210,2716,Shikimates and Phenylpropanoids,Diterpenoids,Menthane monoterpenoids,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1isopropanol,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 16551,2210,2716,Shikimates and Phenylpropanoids,Diterpenoids,Menthane monoterpenoids,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1isopropanol,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 16552,2210,2716,Shikimates and Phenylpropanoids,Diterpenoids,Menthane monoterpenoids,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1isopropanol,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 16553,2210,2716,Shikimates and Phenylpropanoids,Diterpenoids,Menthane monoterpenoids,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1isopropanol,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,1,8.5 16554,2210,2716,Shikimates and Phenylpropanoids,Diterpenoids,Menthane monoterpenoids,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1isopropanol,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,1,8.5 16555,2209,-1,,,,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_2_1calcium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16556,2208,1363,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.28252316,ISDB,XFPXWDJICXBWRU-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3",CC(=O)OCCC(C)CCCC(C)C,C12H24O2,,200.177630008,XFPXWDJICXBWRU,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,5.130092620849609 16557,2207,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_1_1proton1ammonium,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 16558,2207,-1,,,,0.0,MS1_match,JCGHAEBIBSEQAD-UUUCSUBKSA-N,"InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C41H30O26,pos_1_1proton1ammonium,938.10253108,JCGHAEBIBSEQAD,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 16559,2206,-1,,,,0.61316717,ISDB,BGDRNGRDFOPVLI-KVLHAODVSA-N,"InChI=1S/C34H24O21/c35-12-1-8(2-13(36)21(12)41)30(46)54-29-25(45)34(55-31(47)9-3-14(37)22(42)15(38)4-9)51-18-7-50-32(48)10-5-16(39)23(43)27-19(10)20-11(33(49)53-26(18)29)6-17(40)24(44)28(20)52-27/h1-6,18,25-26,29,34-45H,7H2/t18-,25-,26+,29+,34+/m1/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c4oc5c(O)c(O)cc(c5c34)C(=O)O[C@@H]2[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1,C34H24O21,,768.081007788,BGDRNGRDFOPVLI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Balanophora japonica,223380.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Balanophoraceae'],['Unknown'],['Balanophora'],['Balanophora japonica'],4,0,6.4526686668396 16560,2205,3211,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVVUDBUSZSDPJI-RUERYLGASA-N,"InChI=1S/C27H50N2O/c1-9-10-20-25(6)15-19(30)22(18(2)29(7)8)24(25,5)13-14-27(20)17-26(27)12-11-21(28)23(3,4)16-26/h18-22,30H,9-17,28H2,1-8H3/t18-,19+,20-,21-,22-,24-,25-,26-,27-/m0/s1",CCC[C@@H]1[C@]2(CC[C@@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]13C)C[C@@]21CC[C@H](N)C(C)(C)C1,C27H50N2O,pos_2_1iron,418.39231422,UVVUDBUSZSDPJI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16561,2203,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1proton,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,2,10.0 16562,2202,271,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMWPODZFOYKZAS-NFAHFFEMSA-N,"InChI=1S/C15H16O8/c1-22-11-7-9(3-4-10(11)13(18)19)5-6-15(23-2,14(20)21)8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/b6-5+/t15-/m0/s1",COc1cc(/C=C/[C@@](CC(=O)O)(OC)C(=O)O)ccc1C(=O)O,C15H16O8,pos_1_1proton,324.084517472,SMWPODZFOYKZAS,Shikimates and Phenylpropanoids,,,Sanguisorba minor,894082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba minor'],6,1,6.5 16563,2201,723,Alkaloids,Ornithine alkaloids,Piperidine alkaloids,0.3927924,ISDB,RALIZCWZKRCHJQ-VTSXBNNFSA-N,"InChI=1S/C19H35N3O2/c1-3-4-5-6-7-11-18-16-19(24)21-13-10-15-22(17(2)23)14-9-8-12-20-18/h7,11,18,20H,3-6,8-10,12-16H2,1-2H3,(H,21,24)/b11-7-/t18-/m0/s1",CCCCC/C=C\[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1,C19H35N3O2,,337.27292736,RALIZCWZKRCHJQ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Monteverdia loeseneri,5750134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Monteverdia'],['Monteverdia loeseneri'],4,3,7.07116961479187 16564,2200,723,Alkaloids,Ornithine alkaloids,Piperidine alkaloids,0.5518802,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2075207233428955 16565,2198,-1,,,,0.0,MS1_match,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,pos_1_minus1proton1iron,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,0,7.0 16566,2197,-1,,,,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_1_1proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16567,2197,-1,,,,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_1_1proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16568,2197,-1,,,,0.0,MS1_match,PASHMLVQDFOJIR-IRCFEWFXSA-N,"InChI=1S/C26H41NO/c1-17(27(6)7)18-10-12-24(5)20-9-8-19-22(2,3)21(28)11-13-25(19)16-26(20,25)15-14-23(18,24)4/h11,13,17-20H,8-10,12,14-16H2,1-7H3/t17-,18+,19-,20-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H41NO,pos_1_1proton1ammonium,383.31881493200007,PASHMLVQDFOJIR,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16569,2197,-1,,,,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1ethylamine,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16570,2197,-1,,,,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_1_1proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16571,2197,-1,,,,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_1_1proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16572,2196,-1,,,,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 16573,2192,794,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ethylamine,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 16574,2192,794,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ethylamine,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 16575,2191,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.23864855,ISDB,BGGYAYMMFYBWEX-PJEAHERNSA-N,"InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21?,22-,23+/m0/s1",CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SCC(NC(C)=O)C(=O)O)[C@@H](O)CCCC(=O)O,C25H39NO6S,,481.249808968,BGGYAYMMFYBWEX,Fatty acids,Eicosanoids,Leukotrienes,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,0,1.9545941948890686 16576,2190,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7969797,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,12.687918901443481 16577,2189,745,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-YDZYAZLNSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_minus1proton1iron,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,3,7.5 16578,2189,745,Terpenoids,Diterpenoids,Norlabdane diterpenoids,0.0,MS1_match,NBGCWDAYASHSEK-WCBDFPTQSA-N,"InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1C/C=C(\C)C=O,C19H28O3,pos_1_minus1proton1iron,304.203844756,NBGCWDAYASHSEK,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,3,7.5 16579,2186,-1,,,,0.0,MS1_match,DTJLOZXIIDPIFA-OUOAPTIVSA-N,"InChI=1S/C16H22O9/c1-24-13-6-9(2-4-10(13)18)3-5-14(21)25-8-12(20)16(23)15(22)11(19)7-17/h2-6,11-12,15-20,22-23H,7-8H2,1H3/b5-3+/t11-,12+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H22O9,pos_1_1sodium,358.126382284,DTJLOZXIIDPIFA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],6,0,6.0 16580,2186,-1,,,,0.0,MS1_match,GWQDOJFHKGUWPV-UXFCLIIPSA-N,"InChI=1S/C16H22O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h7-9,11-13,16-20H,2-5H2,1H3/t7-,8+,9+,11+,12-,13+,16-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CC1,C16H22O9,pos_1_1sodium,358.126382284,GWQDOJFHKGUWPV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 16581,2183,-1,,,,0.64564747,ISDB,GTXYASOPMHQGPE-KBVVDYDXSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2O,,414.361014092,GTXYASOPMHQGPE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.582589864730835 16582,2181,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7406303,ISDB,KJXSIXMJHKAJOD-LSDHHAIUSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,C15H12O8,,320.0532173439999,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Shuteria vestita,195815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neonotonia'],['Neonotonia wightii'],6,3,10.462521314620972 16583,2181,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7406303,ISDB,KJXSIXMJHKAJOD-LSDHHAIUSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,C15H12O8,,320.0532173439999,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Intsia bijuga,228631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Afzelieae'],['Intsia'],['Intsia bijuga'],6,3,10.462521314620972 16584,2181,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7406303,ISDB,KJXSIXMJHKAJOD-UHFFFAOYSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H",O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1O,C15H12O8,,320.053217344,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Intsia,744064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Afzelieae'],['Intsia'],['Unknown'],6,3,10.462521314620972 16585,2181,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7406303,ISDB,KJXSIXMJHKAJOD-LSDHHAIUSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,C15H12O8,,320.0532173439999,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Onobrychis cyri,213478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis cyri'],6,3,10.462521314620972 16586,2181,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7406303,ISDB,KJXSIXMJHKAJOD-LSDHHAIUSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,C15H12O8,,320.0532173439999,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Onobrychis viciifolia,359899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis viciifolia'],6,3,10.462521314620972 16587,2181,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7406303,ISDB,KJXSIXMJHKAJOD-LSDHHAIUSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,C15H12O8,,320.0532173439999,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Burkea africana,72921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Burkea'],['Burkea africana'],6,3,10.462521314620972 16588,2179,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.61700416,ISDB,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],7,3,10.968016624450684 16589,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ilex pernyi,190823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Aquifoliales'],['Aquifoliaceae'],['Unknown'],['Ilex'],['Ilex pernyi'],4,0,6.8315184116363525 16590,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Quercus pubescens,426505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus pubescens'],4,0,6.8315184116363525 16591,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Quercus cerris,520576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus cerris'],4,0,6.8315184116363525 16592,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Quercus laurifolia,691464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus laurifolia'],4,0,6.8315184116363525 16593,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Quercus canariensis,624758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus canariensis'],4,0,6.8315184116363525 16594,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nelumbo nucifera,532288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Nelumbonaceae'],['Unknown'],['Nelumbo'],['Nelumbo nucifera'],4,0,6.8315184116363525 16595,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-NSSLBSGISA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15+,17-,18-,20-,21+,24+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Helleborus viridis,948053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Helleboreae'],['Helleborus'],['Helleborus viridis'],4,0,6.8315184116363525 16596,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aesculus hippocastanum,404238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus hippocastanum'],4,0,6.8315184116363525 16597,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.137734816,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia arguta var. giraldii,7050260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia arguta'],4,0,6.8315184116363525 16598,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia arguta,686875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia arguta'],4,0,6.8315184116363525 16599,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lathyrus chloranthus,629279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus chloranthus'],4,0,6.8315184116363525 16600,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-IHPAPMAYSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18+,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Micranthes stellaris,78760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Micranthes'],['Micranthes stellaris'],4,0,6.8315184116363525 16601,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-IHPAPMAYSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18+,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alangium kurzii,221641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium kurzii'],4,0,6.8315184116363525 16602,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],4,0,6.8315184116363525 16603,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-IHPAPMAYSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18+,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],4,0,6.8315184116363525 16604,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-UHFFFAOYSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.137734816,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aesculus chinensis,809465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus chinensis'],4,0,6.8315184116363525 16605,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oldenlandia herbacea var. herbacea,1062412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Oldenlandia'],['Oldenlandia herbacea'],4,0,6.8315184116363525 16606,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eucommia ulmoides,743836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Garryales'],['Eucommiaceae'],['Unknown'],['Eucommia'],['Eucommia ulmoides'],4,0,6.8315184116363525 16607,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-RHYOZCCASA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25-,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melaleuca ericifolia,81283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Melaleuca'],['Melaleuca ericifolia'],4,0,6.8315184116363525 16608,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllanthus niruri,399363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus niruri'],4,0,6.8315184116363525 16609,2177,-1,,,,0.7078796,ISDB,NKFZLEYLWAFYEH-CJNLAGEVSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.1377348159999,NKFZLEYLWAFYEH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],4,0,6.8315184116363525 16610,2173,1530,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZNMBVUJBDPGQW-QTNLYHOXSA-N,"InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(38)26(41-15,25-21(37)17(33)13(32)7-39-25)42-23-19(35)16-12(31)4-9(28)5-14(16)40-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-25,27-34,36-38H,6-7H2/t13-,15-,17+,18+,20+,21-,24-,25-,26-/m1/s1",O=c1c(O[C@]2([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.1377348159999,AZNMBVUJBDPGQW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,3,7.5 16611,2172,238,Shikimates and Phenylpropanoids,Coumarins,Naphthalenes and derivatives,0.6444493,ISDB,DHNGCHLFKUPGPX-UHFFFAOYSA-N,"InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3",CCOC(=O)C=Cc1ccc(OC)cc1,C12H14O3,,206.094294308,DHNGCHLFKUPGPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Kaempferia galanga,576124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Kaempferia'],['Kaempferia galanga'],3,1,6.077797174453735 16612,2172,238,Shikimates and Phenylpropanoids,Coumarins,Naphthalenes and derivatives,0.6444493,ISDB,DHNGCHLFKUPGPX-UHFFFAOYSA-N,"InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3",CCOC(=O)C=Cc1ccc(OC)cc1,C12H14O3,,206.094294308,DHNGCHLFKUPGPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hedychium spicatum,750971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Hedychium'],['Hedychium spicatum'],3,1,6.077797174453735 16613,2171,-1,,,,0.0,MS1_match,WSKGRAGZAQRSED-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C,C20H30O,pos_1_minus1proton1iron,286.22966558,WSKGRAGZAQRSED,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 16614,2171,-1,,,,0.0,MS1_match,HOFSYSONRIGEAC-LWYYNNOASA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1,C20H30O,pos_1_minus1proton1iron,286.22966558,HOFSYSONRIGEAC,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,0,6.0 16615,2171,-1,,,,0.0,MS1_match,HOFSYSONRIGEAC-LWYYNNOASA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1,C20H30O,pos_1_minus1proton1iron,286.22966558,HOFSYSONRIGEAC,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 16616,2171,-1,,,,0.0,MS1_match,HOFSYSONRIGEAC-UHFFFAOYSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3",CC(C)C1=CC2=CCC3C(C)(C=O)CCCC3(C)C2CC1,C20H30O,pos_1_minus1proton1iron,286.22966558,HOFSYSONRIGEAC,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 16617,2171,-1,,,,0.0,MS1_match,CQHXWPMUHGVWES-VYJAJWGXSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,9,12-14,16-18H,5-6,8,10-11H2,1-4H3/t16-,17-,18-,19-,20+/m0/s1",CC(C)C1=C[C@@H]2C=C[C@@H]3[C@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1,C20H30O,pos_1_minus1proton1iron,286.22966558,CQHXWPMUHGVWES,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 16618,2171,-1,,,,0.0,MS1_match,MDWQSNIQXHNTCK-SLFFLAALSA-N,"InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-14,18H,5-11H2,1-4H3/t18-,19-,20+/m0/s1",CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C=O)[C@@H]1CC2,C20H30O,pos_1_minus1proton1iron,286.22966558,MDWQSNIQXHNTCK,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 16619,2170,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27656212,ISDB,,,,,,,UUOWTYGESRVWCF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1062484979629517 16620,2168,3069,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.5551081,ISDB,LSNBIAKOKAZXBW-OFQRWUPVSA-N,"InChI=1S/C16H26N2O2/c19-12-18-10-4-7-13-5-3-6-14(16(13)18)11-17-9-2-1-8-15(17)20/h12-14,16H,1-11H2/t13-,14-,16+/m0/s1",O=CN1CCC[C@@H]2CCC[C@@H](CN3CCCCC3=O)[C@@H]21,C16H26N2O2,,278.199428072,LSNBIAKOKAZXBW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Mycetia nutans,3882229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Argostemmateae'],['Mycetia'],['Mycetia nutans'],4,3,7.720432281494141 16621,2168,3069,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.5551081,ISDB,LSNBIAKOKAZXBW-OFQRWUPVSA-N,"InChI=1S/C16H26N2O2/c19-12-18-10-4-7-13-5-3-6-14(16(13)18)11-17-9-2-1-8-15(17)20/h12-14,16H,1-11H2/t13-,14-,16+/m0/s1",O=CN1CCC[C@@H]2CCC[C@@H](CN3CCCCC3=O)[C@@H]21,C16H26N2O2,,278.199428072,LSNBIAKOKAZXBW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Myrioneuron nutans,3882229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Argostemmateae'],['Mycetia'],['Mycetia nutans'],4,3,7.720432281494141 16622,2166,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.71802026,ISDB,QKTPYRDTLBAVJH-AUSJPIAWSA-N,"InChI=1S/C20H22O5/c1-23-18-8-11(3-4-16(18)21)20-15-6-13-7-17(22)19(24-2)9-12(13)5-14(15)10-25-20/h3-4,7-9,14-15,20-22H,5-6,10H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc([C@H]2OC[C@@H]3Cc4cc(OC)c(O)cc4C[C@@H]32)ccc1O,C20H22O5,,342.1467238039999,QKTPYRDTLBAVJH,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Stellera chamaejasme,191882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Stellera'],['Stellera chamaejasme'],3,3,7.37208104133606 16623,2165,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6037933,ISDB,QABKOUYSEBJPNG-ILIUCWEBSA-N,"InChI=1S/C19H20O4/c1-4-5-12-8-14-11(2)18(23-19(14)16(21)9-12)13-6-7-15(20)17(10-13)22-3/h4-11,18,20-21H,1-3H3/b5-4+/t11-,18-/m1/s1",C/C=C/c1cc(O)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C19H20O4,,312.13615912,QABKOUYSEBJPNG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Melaleuca citrina,730603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Callistemon'],['Callistemon citrinus'],3,3,6.915173292160034 16624,2165,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6037933,ISDB,QABKOUYSEBJPNG-ILIUCWEBSA-N,"InChI=1S/C19H20O4/c1-4-5-12-8-14-11(2)18(23-19(14)16(21)9-12)13-6-7-15(20)17(10-13)22-3/h4-11,18,20-21H,1-3H3/b5-4+/t11-,18-/m1/s1",C/C=C/c1cc(O)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C19H20O4,,312.13615912,QABKOUYSEBJPNG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Melaleuca lutea,3935393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Melaleuca'],['Melaleuca lutea'],3,3,6.915173292160034 16625,2165,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6037933,ISDB,QABKOUYSEBJPNG-ADLMAVQZSA-N,"InChI=1S/C19H20O4/c1-4-5-12-8-14-11(2)18(23-19(14)16(21)9-12)13-6-7-15(20)17(10-13)22-3/h4-11,18,20-21H,1-3H3/t11-,18-/m1/s1",CC=Cc1cc(O)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C19H20O4,,312.13615912,QABKOUYSEBJPNG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Callistemon citrinus,730603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Callistemon'],['Callistemon citrinus'],3,3,6.915173292160034 16626,2165,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6037933,ISDB,QABKOUYSEBJPNG-ADLMAVQZSA-N,"InChI=1S/C19H20O4/c1-4-5-12-8-14-11(2)18(23-19(14)16(21)9-12)13-6-7-15(20)17(10-13)22-3/h4-11,18,20-21H,1-3H3/t11-,18-/m1/s1",CC=Cc1cc(O)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2,C19H20O4,,312.13615912,QABKOUYSEBJPNG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Callistemon lanceolatus,1014094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Melaleuceae'],['Callistemon'],['Callistemon lanceolatus'],3,3,6.915173292160034 16627,2163,729,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,9.5 16628,2163,729,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,9.5 16629,2162,238,Shikimates and Phenylpropanoids,Coumarins,Naphthalenes and derivatives,0.8057522,ISDB,KAFSSZHADPCOBG-UHFFFAOYSA-N,"InChI=1S/C12H12O2/c1-7-4-5-10-8(2)9(3)12(13)14-11(10)6-7/h4-6H,1-3H3",Cc1ccc2c(C)c(C)c(=O)oc2c1,C12H12O2,,188.083729624,KAFSSZHADPCOBG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],3,2,7.223008871078491 16630,2160,502,Shikimates and Phenylpropanoids,Isoflavonoids,Azaphilones,0.54513764,ISDB,GLPDBGACWOZVNL-ZETCQYMHSA-N,"InChI=1S/C9H8O4/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-3,7,10-11H,4H2/t7-/m0/s1",O=C1c2ccc(O)cc2OC[C@@H]1O,C9H8O4,,180.042258736,GLPDBGACWOZVNL,Shikimates and Phenylpropanoids,Isoflavonoids,,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],4,2,7.180550575256348 16631,2159,-1,,,,0.7896079,ISDB,YFTRUHDULQIREQ-BECWBPLGSA-N,"InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)32)24-26(19(35)17-12(33)5-10(31)6-14(17)41-24)45-28-23(39)21(37)25(16(8-30)43-28)44-27-22(38)20(36)18(34)15(7-29)42-27/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3/t15-,16-,18+,20-,21-,22+,23-,25-,27+,28+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)ccc1O,C28H32O17,,640.163949564,YFTRUHDULQIREQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Senna multijuga,68519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna multijuga'],4,0,7.158431529998779 16632,2158,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5104375,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.041749954223633 16633,2157,-1,,,,0.43471107,ISDB,AYPYUZXAFNVUEC-UHFFFAOYSA-N,"InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3",CCCCCCCCCCCCCCCCCCc1[nH]c2ccccc2c1O,C26H43NO,,385.334464996,AYPYUZXAFNVUEC,Polyketides,Aromatic polyketides,Catechols with side chains,Allium fistulosum,856720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium fistulosum'],4,0,5.738844275474548 16634,2155,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28835556,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.653422236442566 16635,2155,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28835556,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.653422236442566 16636,2155,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28835556,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.653422236442566 16637,2155,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28835556,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,8.653422236442566 16638,2155,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28835556,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.653422236442566 16639,2155,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28835556,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Guazuma ulmifolia,526994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Guazuma'],['Guazuma ulmifolia'],6,3,8.653422236442566 16640,2155,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28835556,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,3,8.653422236442566 16641,2155,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28835556,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,8.653422236442566 16642,2154,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.40295115,ISDB,DSXKRJBQUCPJOW-DMGFCEKXSA-N,"InChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h6-7,10-13,16-19,21H,4-5,8-9,14-15,20H2,1-3H3,(H,23,24)/b7-6+,11-10+,13-12+,17-16+,19-18+",CCC/C=C/CC/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C,C22H35NO,,329.27186474,DSXKRJBQUCPJOW,Fatty acids,Fatty amides,N-acyl amines,Heliopsis helianthoides var. scabra,275096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],4,0,5.6118046045303345 16643,2153,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 16644,2153,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-XDJXAWJCSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,3,7.5 16645,2152,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,pos_2_2proton,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16646,2151,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.5591216,ISDB,ZSSOEDOJNKLXOG-HNAYVOBHSA-N,"InChI=1S/C19H22O5/c1-23-18-10-13(5-6-16(18)22)19-15(11-21)14-9-12(3-2-8-20)4-7-17(14)24-19/h4-7,9-10,15,19-22H,2-3,8,11H2,1H3/t15-,19+/m0/s1",COc1cc([C@H]2Oc3ccc(CCCO)cc3[C@@H]2CO)ccc1O,C19H22O5,,330.146723804,ZSSOEDOJNKLXOG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,9.736486434936523 16647,2150,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.761118,ISDB,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.544471979141235 16648,2149,3246,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_1_1sodium,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16649,2149,3246,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_1_1sodium,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16650,2149,3246,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,MQLSOVRLZHTATK-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O,C17H24O11,pos_1_1sodium,404.1318615879998,MQLSOVRLZHTATK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16651,2149,3246,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,UVIHEQDHSJMULB-PEYNGXJCSA-N,"InChI=1S/C17H24O11/c1-3-7-8(4-11(19)25-2)9(15(23)24)6-26-16(7)28-17-14(22)13(21)12(20)10(5-18)27-17/h3,6-8,10,12-14,16-18,20-22H,1,4-5H2,2H3,(H,23,24)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)OC,C17H24O11,pos_1_1sodium,404.1318615879998,UVIHEQDHSJMULB,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 16652,2148,-1,,,,0.85961676,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,12.438467025756836 16653,2147,-1,,,,0.53435117,ISDB,ASYWVBBBOMJYAC-DYEAUMGKSA-N,"InChI=1S/C11H12O5/c1-5-3-8-9(7(13)4-15-8)10(14)11(5)16-6(2)12/h4-5,11,13H,3H2,1-2H3/t5-,11-/m0/s1",CC(=O)O[C@@H]1C(=O)c2c(O)coc2C[C@@H]1C,C11H12O5,,224.068473484,ASYWVBBBOMJYAC,Terpenoids,,,Clinopodium ashei,248835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium ashei'],4,0,6.137404680252075 16654,2146,-1,,,,0.83704424,ISDB,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",COc1ccc(C(=O)O)cc1,C8H8O3,,152.047344116,ZEYHEAKUIGZSGI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],6,0,9.348176956176758 16655,2146,-1,,,,0.83704424,ISDB,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",COc1ccc(C(=O)O)cc1,C8H8O3,,152.047344116,ZEYHEAKUIGZSGI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cotoneaster orbicularis,3903052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster orbicularis'],6,0,9.348176956176758 16656,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus lumholtzii,212480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lumholtzii'],5,0,6.659297347068787 16657,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],5,0,6.659297347068787 16658,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobiformis,262953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobiformis'],5,0,6.659297347068787 16659,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus ayacahuite,786788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ayacahuite'],5,0,6.659297347068787 16660,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembra,61771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembra'],5,0,6.659297347068787 16661,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus balfouriana,1044480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus balfouriana'],5,0,6.659297347068787 16662,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,0,6.659297347068787 16663,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus parviflora,837898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus parviflora'],5,0,6.659297347068787 16664,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus cembroides,786795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus cembroides'],5,0,6.659297347068787 16665,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,0,6.659297347068787 16666,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],5,0,6.659297347068787 16667,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,0,6.659297347068787 16668,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],5,0,6.659297347068787 16669,2144,-1,,,,0.41482434,ISDB,HPEFWCAKFRCLBD-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3",COc1cc(O)cc(CCc2ccccc2)c1,C15H16O2,,228.115029752,HPEFWCAKFRCLBD,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus albicaulis,786785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus albicaulis'],5,0,6.659297347068787 16670,2143,881,Terpenoids,Sesquiterpenoids,Cinnamoyl phenols,0.79771954,ISDB,UYXJESJBZRIFPL-UHFFFAOYSA-N,"InChI=1S/C15H14O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-8H,1-3H3",Cc1ccc2c(C)cc3occ(C)c3c2c1,C15H14O,,210.104465068,UYXJESJBZRIFPL,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],3,2,7.19087815284729 16671,2142,1661,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.75887775,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ulmus laciniata,1011369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus laciniata'],3,3,7.535511016845703 16672,2142,1661,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.75887775,ISDB,IUYVYWGWLYHKNT-UHFFFAOYSA-N,"InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3",Cc1ccc(C(C)C)c2ccc(O)cc12,C14H16O,,200.120115132,IUYVYWGWLYHKNT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],3,3,7.535511016845703 16673,2141,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1methanol,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,1,8.5 16674,2141,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1methanol,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,1,8.5 16675,2140,638,Polyketides,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,XQDNFAMOIPNVES-UHFFFAOYSA-N,"InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3",COc1cc(O)cc(OC)c1,C8H10O3,pos_1_1proton,154.06299418,XQDNFAMOIPNVES,Polyketides,Phloroglucinols,Acyl phloroglucinols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 16676,2139,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.79510516,ISDB,,,,,,,JUTMAMXOAOYKHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1804206371307373 16677,2138,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 16678,2138,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 16679,2138,-1,,,,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 16680,2137,1319,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.36412674,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,11.956506967544556 16681,2136,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IZQSVPBOUDKVDZ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O,C16H12O7,pos_1_1proton,316.058302724,IZQSVPBOUDKVDZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16682,2136,446,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AZFYHRHUTXBGJS-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3",COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12,C16H12O7,pos_1_1proton,316.058302724,AZFYHRHUTXBGJS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16683,2134,2370,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,WKWOMGUCNMHNPD-FWSBJAEPSA-N,"InChI=1S/C25H34O11/c1-32-19-10-14(4-3-9-26)5-7-17(19)35-21(12-27)22(29)15-6-8-18(20(11-15)33-2)36-25-24(31)23(30)16(28)13-34-25/h5-8,10-11,16,21-31H,3-4,9,12-13H2,1-2H3/t16-,21-,22-,23+,24-,25+/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2OC)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C25H34O11,pos_1_1sodium,510.210111908,WKWOMGUCNMHNPD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 16684,2130,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JTOMBDWNZMKDRU-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h9,13,17,20-24,28,30H,10-12,14-16H2,1-8H3",CNC1CC=C2CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_1_1proton,414.361014092,JTOMBDWNZMKDRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16685,2130,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_1_1proton1ethylamine,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16686,2130,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UFOMWAWIEKKLJS-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3",CNC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_1_1proton,414.361014092,UFOMWAWIEKKLJS,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16687,2130,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SZDAYVWJPZICBE-KNWQDMBOSA-N,"InChI=1S/C27H46N2O/c1-17-19-9-10-22-25(4)15-21(30)23(18(2)28(5)6)24(25,3)13-14-27(22)16-26(19,27)12-11-20(17)29(7)8/h9-10,17-23,30H,11-16H2,1-8H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26+,27-/m0/s1",C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13,C27H46N2O,pos_1_1proton,414.361014092,SZDAYVWJPZICBE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16688,2130,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LQRKRHDZKOLWKN-ZDPLCZSVSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h9-10,17-22,28,30H,11-16H2,1-8H3/t17-,18-,19+,20+,21+,22+,24-,25+,26-,27+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C27H46N2O,pos_1_1proton,414.361014092,LQRKRHDZKOLWKN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16689,2130,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IBBJBVLTEQHUQV-ZUDQDPCPSA-N,"InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@H]5C,C27H46N2O,pos_1_1proton,414.361014092,IBBJBVLTEQHUQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16690,2130,689,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GTXYASOPMHQGPE-KBVVDYDXSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2O,pos_1_1proton,414.361014092,GTXYASOPMHQGPE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16691,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,3,10.658895015716553 16692,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago murex,193970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago murex'],6,3,10.658895015716553 16693,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus wolgicus,3928590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus wolgicus'],6,3,10.658895015716553 16694,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Shuteria vestita,195815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neonotonia'],['Neonotonia wightii'],6,3,10.658895015716553 16695,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago cretacea,292212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago cretacea'],6,3,10.658895015716553 16696,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago blancheana,971881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago blancheana'],6,3,10.658895015716553 16697,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trigonella corniculata,445953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella corniculata'],6,3,10.658895015716553 16698,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trigonella balansae,445962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella balansae'],6,3,10.658895015716553 16699,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago falcata,1030374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago falcata'],6,3,10.658895015716553 16700,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus messanensis,596048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus messanensis'],6,3,10.658895015716553 16701,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus siculus,596048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus messanensis'],6,3,10.658895015716553 16702,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago cancellata,800496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago cancellata'],6,3,10.658895015716553 16703,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago hybrida,292219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago hybrida'],6,3,10.658895015716553 16704,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus maritimus,1024809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus maritimus'],6,3,10.658895015716553 16705,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],6,3,10.658895015716553 16706,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus polyphyllus,70012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus polyphyllus'],6,3,10.658895015716553 16707,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus polyphyllos,70012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus polyphyllus'],6,3,10.658895015716553 16708,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis falcata,3925864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis falcata'],6,3,10.658895015716553 16709,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Mimosa pudica,333195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Mimosa'],['Mimosa pudica'],6,3,10.658895015716553 16710,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Caragana spinosa,232431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana spinosa'],6,3,10.658895015716553 16711,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lespedeza juncea,599853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Lespedeza'],['Lespedeza juncea'],6,3,10.658895015716553 16712,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Caragana jubata,1012368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana jubata'],6,3,10.658895015716553 16713,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Caragana aurantiaca,806587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana aurantiaca'],6,3,10.658895015716553 16714,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Caragana frutex,187482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana frutex'],6,3,10.658895015716553 16715,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],6,3,10.658895015716553 16716,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia confusa,560305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia confusa'],6,3,10.658895015716553 16717,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],6,3,10.658895015716553 16718,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vicia johannis,835926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia johannis'],6,3,10.658895015716553 16719,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vicia bithynica,953098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia bithynica'],6,3,10.658895015716553 16720,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vicia amurensis,136993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia amurensis'],6,3,10.658895015716553 16721,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,3,10.658895015716553 16722,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,3,10.658895015716553 16723,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,3,10.658895015716553 16724,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trigonella calliceras,262305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella calliceras'],6,3,10.658895015716553 16725,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago monantha,55941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago monantha'],6,3,10.658895015716553 16726,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago radiata,56946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago radiata'],6,3,10.658895015716553 16727,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago turbinata,849855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago turbinata'],6,3,10.658895015716553 16728,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trigonella cretica,1007989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella cretica'],6,3,10.658895015716553 16729,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago truncatula,1060499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago truncatula'],6,3,10.658895015716553 16730,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lathyrus aphaca,1036586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus aphaca'],6,3,10.658895015716553 16731,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lathyrus nissolia,131464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus nissolia'],6,3,10.658895015716553 16732,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Vachellia aroma,639402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia aroma'],6,3,10.658895015716553 16733,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago laciniata,374481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago laciniata'],6,3,10.658895015716553 16734,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],6,3,10.658895015716553 16735,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia aroma,639402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia aroma'],6,3,10.658895015716553 16736,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia cyanophylla,154767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia saligna'],6,3,10.658895015716553 16737,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia saligna,154767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia saligna'],6,3,10.658895015716553 16738,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Intsia palembanica,760079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Afzelieae'],['Intsia'],['Intsia palembanica'],6,3,10.658895015716553 16739,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis reptans,66208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis reptans'],6,3,10.658895015716553 16740,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Intsia bijuga,228631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Afzelieae'],['Intsia'],['Intsia bijuga'],6,3,10.658895015716553 16741,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia adunca,33827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia adunca'],6,3,10.658895015716553 16742,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago scutellata,788501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago scutellata'],6,3,10.658895015716553 16743,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Endosamara racemosa,117901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Endosamara'],['Endosamara racemosa'],6,3,10.658895015716553 16744,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago nigra,38031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago polymorpha'],6,3,10.658895015716553 16745,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago polyceratia,1001768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago polyceratia'],6,3,10.658895015716553 16746,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus italicus,481739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus italicus'],6,3,10.658895015716553 16747,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago monspeliaca,55944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago monspeliaca'],6,3,10.658895015716553 16748,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago lupulina,38032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago lupulina'],6,3,10.658895015716553 16749,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],6,3,10.658895015716553 16750,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago polymorpha,38031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago polymorpha'],6,3,10.658895015716553 16751,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago arabica,525750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago arabica'],6,3,10.658895015716553 16752,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus sulcatus,368370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus sulcatus'],6,3,10.658895015716553 16753,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago orbicularis,1001767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago orbicularis'],6,3,10.658895015716553 16754,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago intertexta,55901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago intertexta'],6,3,10.658895015716553 16755,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago rotata,424990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago rotata'],6,3,10.658895015716553 16756,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus officinalis,38048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus officinalis'],6,3,10.658895015716553 16757,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago glutinosa,1030374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago falcata'],6,3,10.658895015716553 16758,2128,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.78972375,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago orthoceras,1001766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago orthoceras'],6,3,10.658895015716553 16759,2127,1681,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.5601602,ISDB,JIFBCUOVFPCZEW-NSHDSACASA-N,"InChI=1S/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)NCC4)OCO3,C18H17NO4,,311.115758024,JIFBCUOVFPCZEW,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,10.740640878677368 16760,2126,1681,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.7365105,ISDB,JKXNGDLZOMUEBL-JTQLQIEISA-N,"InChI=1S/C18H14O4/c1-9-4-3-5-12-11(9)6-7-13-15(19)14-10(2)8-21-18(20)17(14)22-16(12)13/h3-7,10H,8H2,1-2H3/t10-/m0/s1",Cc1cccc2c1ccc1c(=O)c3c(oc12)C(=O)OC[C@@H]3C,C18H14O4,,294.089208928,JKXNGDLZOMUEBL,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Salvia miltiorrhiza,847543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia miltiorrhiza'],4,0,6.946042060852051 16761,2125,-1,,,,0.81294227,ISDB,TVBFRYCGWYXLGF-UHFFFAOYSA-N,"InChI=1S/C17H12O3/c1-8-11-7-6-10-4-3-5-12-13(10)14(11)16(20-17(12)19)9(2)15(8)18/h3-7,18H,1-2H3",Cc1c(O)c(C)c2oc(=O)c3cccc4ccc1c2c43,C17H12O3,,264.07864424400003,TVBFRYCGWYXLGF,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Salvia prionitis,31097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia prionitis'],4,0,7.251769065856934 16762,2122,2315,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 16763,2122,2315,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 16764,2122,2315,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 16765,2122,2315,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 16766,2121,2621,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 16767,2121,2621,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 16768,2121,2621,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 16769,2121,2621,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 16770,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis farcta,182542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis farcta'],6,0,6.0 16771,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,0,6.0 16772,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Dorycnium pentaphyllum,947362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Dorycnium'],['Dorycnium pentaphyllum'],6,0,6.0 16773,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clitoria ternatea,404244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Clitoria'],['Clitoria ternatea'],6,0,6.0 16774,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium pannonicum,597367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pannonicum'],6,0,6.0 16775,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],6,0,6.0 16776,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,0,6.0 16777,2118,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-OYNUMDPVSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11?,14?,16?,18-,19-/m1/s1",COc1c(O)cc2c(c1O)[C@H]1OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)[C@H]1OC2=O,C21H20O13,pos_1_1proton,480.0903907,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],6,0,6.0 16778,2118,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-YQBPHPIXSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11-,14-,16+,18+,19-/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]1OC2=O,C21H20O13,pos_1_1proton,480.09039069999983,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 16779,2118,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3",COc1c(O)cc2c(c1O)C1OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C1OC2=O,C21H20O13,pos_1_1proton,480.0903907,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 16780,2118,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-OYNUMDPVSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11?,14?,16?,18-,19-/m1/s1",COc1c(O)cc2c(c1O)[C@H]1OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)[C@H]1OC2=O,C21H20O13,pos_1_1proton,480.0903907,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],6,0,6.0 16781,2118,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-YQBPHPIXSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11-,14-,16+,18+,19-/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]1OC2=O,C21H20O13,pos_1_1proton,480.09039069999983,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 16782,2118,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3",COc1c(O)cc2c(c1O)C1OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C1OC2=O,C21H20O13,pos_1_1proton,480.0903907,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 16783,2118,-1,,,,0.0,MS1_match,QKSHSFQTWCKTFV-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3",COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C1OC2=O,C21H20O13,pos_1_1proton,480.0903907,QKSHSFQTWCKTFV,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 16784,2118,-1,,,,0.0,MS1_match,QKSHSFQTWCKTFV-UDTQDLDWSA-N,"InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3/t11-,14-,17+,18+,19+/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H]1OC2=O,C21H20O13,pos_1_1proton,480.0903907,QKSHSFQTWCKTFV,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 16785,2118,-1,,,,0.0,MS1_match,WGJHPDSSDQSAFA-QUCXHVEGSA-N,"InChI=1S/C21H20O13/c22-6-12-15(25)17(27)18(28)21(34-12)33-11-3-1-2-9(23)14(11)16(26)13-8(20(31)32)4-7(19(29)30)5-10(13)24/h1-5,12,15,17-18,21-25,27-28H,6H2,(H,29,30)(H,31,32)/t12-,15-,17+,18-,21-/m1/s1",O=C(O)c1cc(O)c(C(=O)c2c(O)cccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(=O)O)c1,C21H20O13,pos_1_1proton,480.0903907,WGJHPDSSDQSAFA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Senna alexandrina,822192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna alexandrina'],6,0,6.0 16786,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia latifolia,3917998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia latifolia'],6,0,6.0 16787,2118,-1,,,,0.0,MS1_match,ZJYAVUPWMNHHEU-GFOOFYSOSA-N,"InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999999,ZJYAVUPWMNHHEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,0,6.0 16788,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],6,0,6.0 16789,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia aroma,639402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia aroma'],6,0,6.0 16790,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis argentina,66224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis argentina'],6,0,6.0 16791,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis reptans,66208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis reptans'],6,0,6.0 16792,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia aroma,639402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia aroma'],6,0,6.0 16793,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia adunca,33827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia adunca'],6,0,6.0 16794,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],6,0,6.0 16795,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia latifolia,3917998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia latifolia'],6,0,6.0 16796,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,0,6.0 16797,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Dorycnium pentaphyllum,947362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Dorycnium'],['Dorycnium pentaphyllum'],6,0,6.0 16798,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clitoria ternatea,404244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Clitoria'],['Clitoria ternatea'],6,0,6.0 16799,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium pannonicum,597367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pannonicum'],6,0,6.0 16800,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],6,0,6.0 16801,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,0,6.0 16802,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis farcta,182542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis farcta'],6,0,6.0 16803,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis argentina,66224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis argentina'],6,0,6.0 16804,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis reptans,66208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis reptans'],6,0,6.0 16805,2118,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia adunca,33827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia adunca'],6,0,6.0 16806,2118,-1,,,,0.0,MS1_match,ZJYAVUPWMNHHEU-GFOOFYSOSA-N,"InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1proton,480.0903906999999,ZJYAVUPWMNHHEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,0,6.0 16807,2117,-1,,,,0.857701,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,0,10.430804014205933 16808,2116,-1,,,,0.0,MS1_match,UAZJALAPKMYVEE-UHFFFAOYSA-N,"InChI=1S/C26H24O7/c1-11(2)6-7-13-20(29)16(27)10-15-17-21(30)18-19(28)12(3)22-14(8-9-26(4,5)33-22)24(18)32-25(17)31-23(13)15/h6,8-10,27-29H,7H2,1-5H3",CC(C)=CCc1c(O)c(O)cc2c1oc1oc3c4c(c(C)c(O)c3c(=O)c12)OC(C)(C)C=C4,C26H24O7,pos_1_minus1proton1iron,448.152203108,UAZJALAPKMYVEE,Shikimates and Phenylpropanoids,Isoflavonoids,Coumaronochromones,Tadehagi triquetrum,99354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Tadehagi'],['Tadehagi triquetrum'],6,0,6.0 16809,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],6,0,6.0 16810,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia latifolia,3917998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia latifolia'],6,0,6.0 16811,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,0,6.0 16812,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Dorycnium pentaphyllum,947362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Dorycnium'],['Dorycnium pentaphyllum'],6,0,6.0 16813,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clitoria ternatea,404244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Clitoria'],['Clitoria ternatea'],6,0,6.0 16814,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,0,6.0 16815,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium pannonicum,597367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pannonicum'],6,0,6.0 16816,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],6,0,6.0 16817,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,0,6.0 16818,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula,267715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Unknown'],6,0,6.0 16819,2116,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-OYNUMDPVSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11?,14?,16?,18-,19-/m1/s1",COc1c(O)cc2c(c1O)[C@H]1OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)[C@H]1OC2=O,C21H20O13,pos_1_1sodium,480.0903907,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],6,0,6.0 16820,2116,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-YQBPHPIXSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11-,14-,16+,18+,19-/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]1OC2=O,C21H20O13,pos_1_1sodium,480.09039069999983,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 16821,2116,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3",COc1c(O)cc2c(c1O)C1OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C1OC2=O,C21H20O13,pos_1_1sodium,480.0903907,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 16822,2116,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-OYNUMDPVSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11?,14?,16?,18-,19-/m1/s1",COc1c(O)cc2c(c1O)[C@H]1OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)[C@H]1OC2=O,C21H20O13,pos_1_1sodium,480.0903907,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],6,0,6.0 16823,2116,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-YQBPHPIXSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11-,14-,16+,18+,19-/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]1OC2=O,C21H20O13,pos_1_1sodium,480.09039069999983,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 16824,2116,-1,,,,0.0,MS1_match,CDRRULDABVKKHU-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3",COc1c(O)cc2c(c1O)C1OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C1OC2=O,C21H20O13,pos_1_1sodium,480.0903907,CDRRULDABVKKHU,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 16825,2116,-1,,,,0.0,MS1_match,QKSHSFQTWCKTFV-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3",COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C1OC2=O,C21H20O13,pos_1_1sodium,480.0903907,QKSHSFQTWCKTFV,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 16826,2116,-1,,,,0.0,MS1_match,QKSHSFQTWCKTFV-UDTQDLDWSA-N,"InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3/t11-,14-,17+,18+,19+/m1/s1",COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H]1OC2=O,C21H20O13,pos_1_1sodium,480.0903907,QKSHSFQTWCKTFV,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 16827,2116,-1,,,,0.0,MS1_match,WGJHPDSSDQSAFA-QUCXHVEGSA-N,"InChI=1S/C21H20O13/c22-6-12-15(25)17(27)18(28)21(34-12)33-11-3-1-2-9(23)14(11)16(26)13-8(20(31)32)4-7(19(29)30)5-10(13)24/h1-5,12,15,17-18,21-25,27-28H,6H2,(H,29,30)(H,31,32)/t12-,15-,17+,18-,21-/m1/s1",O=C(O)c1cc(O)c(C(=O)c2c(O)cccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(=O)O)c1,C21H20O13,pos_1_1sodium,480.0903907,WGJHPDSSDQSAFA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Senna alexandrina,822192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna alexandrina'],6,0,6.0 16828,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia adunca,33827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia adunca'],6,0,6.0 16829,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia aroma,639402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia aroma'],6,0,6.0 16830,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-MGMURXEASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 16831,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-MGMURXEASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 16832,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis farcta,182542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis farcta'],6,0,6.0 16833,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis argentina,66224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis argentina'],6,0,6.0 16834,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis reptans,66208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis reptans'],6,0,6.0 16835,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-MGMURXEASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],6,0,6.0 16836,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-MGMURXEASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],6,0,6.0 16837,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia aroma,639402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia aroma'],6,0,6.0 16838,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia adunca,33827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia adunca'],6,0,6.0 16839,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],6,0,6.0 16840,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia latifolia,3917998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia latifolia'],6,0,6.0 16841,2116,-1,,,,0.0,MS1_match,ZJYAVUPWMNHHEU-GFOOFYSOSA-N,"InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999999,ZJYAVUPWMNHHEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,0,6.0 16842,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,0,6.0 16843,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Clitoria ternatea,404244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Clitoria'],['Clitoria ternatea'],6,0,6.0 16844,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula schmidtii,46585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula schmidtii'],6,0,6.0 16845,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium pannonicum,597367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pannonicum'],6,0,6.0 16846,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],6,0,6.0 16847,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,0,6.0 16848,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula,267715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Unknown'],6,0,6.0 16849,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis farcta,182542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis farcta'],6,0,6.0 16850,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis argentina,66224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis argentina'],6,0,6.0 16851,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prosopis reptans,66208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis reptans'],6,0,6.0 16852,2116,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-LIBJPBHASA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Dorycnium pentaphyllum,947362.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Dorycnium'],['Dorycnium pentaphyllum'],6,0,6.0 16853,2116,-1,,,,0.0,MS1_match,ZJYAVUPWMNHHEU-GFOOFYSOSA-N,"InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999999,ZJYAVUPWMNHHEU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyllolobium chinense,192321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus complanatus'],6,0,6.0 16854,2112,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 16855,2112,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 16856,2111,-1,,,,0.5061179,ISDB,YNXKWFPNXBSGHP-BWOYXGKQSA-N,"InChI=1S/C18H21N5O6/c24-6-11-13(26)14(27)15(28)18(29-11)23-8-22-12-16(20-7-21-17(12)23)19-5-9-2-1-3-10(25)4-9/h1-4,7-8,11,13-15,18,24-28H,5-6H2,(H,19,20,21)/t11-,13-,14+,15-,18-/m1/s1",OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(O)c4)ncnc32)[C@H](O)[C@@H](O)[C@@H]1O,C18H21N5O6,,403.149183392,YNXKWFPNXBSGHP,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Populus hsinganica var. trichorachis,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0244715213775635 16857,2110,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,LQRKRHDZKOLWKN-ZDPLCZSVSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h9-10,17-22,28,30H,11-16H2,1-8H3/t17-,18-,19+,20+,21+,22+,24-,25+,26-,27+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C27H46N2O,pos_2_2proton,414.361014092,LQRKRHDZKOLWKN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16858,2110,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IBBJBVLTEQHUQV-ZUDQDPCPSA-N,"InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@H]5C,C27H46N2O,pos_2_2proton,414.361014092,IBBJBVLTEQHUQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16859,2110,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GTXYASOPMHQGPE-KBVVDYDXSA-N,"InChI=1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2O,pos_2_2proton,414.361014092,GTXYASOPMHQGPE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16860,2110,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SZDAYVWJPZICBE-KNWQDMBOSA-N,"InChI=1S/C27H46N2O/c1-17-19-9-10-22-25(4)15-21(30)23(18(2)28(5)6)24(25,3)13-14-27(22)16-26(19,27)12-11-20(17)29(7)8/h9-10,17-23,30H,11-16H2,1-8H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26+,27-/m0/s1",C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13,C27H46N2O,pos_2_2proton,414.361014092,SZDAYVWJPZICBE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16861,2110,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UFOMWAWIEKKLJS-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3",CNC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_2_2proton,414.361014092,UFOMWAWIEKKLJS,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16862,2110,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JTOMBDWNZMKDRU-UHFFFAOYSA-N,"InChI=1S/C27H46N2O/c1-17(29(7)8)24-22(30)16-27(5)21-11-10-20-18(9-12-23(28-6)25(20,2)3)15-19(21)13-14-26(24,27)4/h9,13,17,20-24,28,30H,10-12,14-16H2,1-8H3",CNC1CC=C2CC3=CCC4(C)C(C(C)N(C)C)C(O)CC4(C)C3CCC2C1(C)C,C27H46N2O,pos_2_2proton,414.361014092,JTOMBDWNZMKDRU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16863,2109,-1,,,,0.0,MS1_match,SBAYJWHOFRCVDL-LBQWKFMXSA-N,"InChI=1S/C22H32O11/c1-12(3-4-13-5-7-14(23)8-6-13)32-21-20(29)19(28)18(27)15(33-21)11-31-17(26)10-22(2,30)9-16(24)25/h5-8,12,15,18-21,23,27-30H,3-4,9-11H2,1-2H3,(H,24,25)/t12-,15-,18-,19+,20-,21+,22+/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C22H32O11,pos_3_1proton2sodium,472.1944618439999,SBAYJWHOFRCVDL,,,,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 16864,2108,-1,,,,0.0,MS1_match,KLLYDTMVSVIJEH-YYMOATHLSA-N,"InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1sodium,328.1522031079999,KLLYDTMVSVIJEH,Shikimates and Phenylpropanoids,,,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 16865,2107,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton1ethylamine,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 16866,2107,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KLLYDTMVSVIJEH-YYMOATHLSA-N,"InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.1522031079999,KLLYDTMVSVIJEH,Shikimates and Phenylpropanoids,,,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,1,8.5 16867,2106,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4759406,ISDB,DAVDEZKGACPNHN-UHFFFAOYSA-N,"InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)",CCCCCCCCCc1cc[nH]n1,C12H22N2,,194.178298704,DAVDEZKGACPNHN,Alkaloids,,,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,1,6.403762340545654 16868,2105,921,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.42695457,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],5,3,8.207818269729614 16869,2105,921,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.42695457,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Tordylium apulum,630025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Tordylieae'],['Tordylium'],['Tordylium apulum'],5,3,8.207818269729614 16870,2104,-1,,,,0.6907963,ISDB,FAARLWTXUUQFSN-UHFFFAOYSA-N,"InChI=1S/C15H8O8/c1-21-11-7(17)3-5-9-8-4(15(20)23-13(9)11)2-6(16)10(18)12(8)22-14(5)19/h2-3,16-18H,1H3",COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34,C15H8O8,,316.021917216,FAARLWTXUUQFSN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Platycarya strobilacea,264610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Platycarya'],['Platycarya strobilacea'],5,0,7.763185262680054 16871,2103,1960,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 16872,2102,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 16873,2102,-1,,,,0.0,MS1_match,QMZKBAQNFAMESG-GBMAXXPESA-N,"InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1,C21H32O2,pos_1_minus1proton1iron,316.240230264,QMZKBAQNFAMESG,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 16874,2101,-1,,,,0.0,MS1_match,KDXKERNSBIXSRK-YFKPBYRVSA-N,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",NCCCC[C@H](N)C(=O)O,C6H14N2O2,pos_2MK,146.105527688,KDXKERNSBIXSRK,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 16875,2101,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1isopropanol,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 16876,2101,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1isopropanol,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 16877,2101,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_1_1proton1isopropanol,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 16878,2101,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton1isopropanol,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 16879,2101,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-NRUFJFEESA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11?,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)C(O)[C@H]1O,C13H18O6,pos_1_1proton1isopropanol,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 16880,2101,-1,,,,0.0,MS1_match,QECVMHWTNYFUKU-FMUGBDLASA-N,"InChI=1S/C15H22O6/c1-9(6-11(17)18)4-5-15(20)13(2)8-21-14(15,3)7-10(16)12(13)19/h4-6,10,12,16,19-20H,7-8H2,1-3H3,(H,17,18)/b5-4+,9-6-/t10-,12+,13-,14+,15+/m1/s1",CC(=C/C(=O)O)/C=C/[C@@]1(O)[C@]2(C)C[C@@H](O)[C@H](O)[C@@]1(C)CO2,C15H22O6,pos_1_1proton1methanol,298.141638424,QECVMHWTNYFUKU,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 16881,2100,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1ethylamine,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16882,2099,-1,,,,0.0,MS1_match,OGCTZYQISGLJOL-HKJZBFBISA-N,"InChI=1S/C16H26O7/c1-9(2)6-11(18)7-10(3)4-5-22-16-15(21)14(20)13(19)12(8-17)23-16/h6-7,12-17,19-21H,4-5,8H2,1-3H3/b10-7+/t12-,13-,14+,15-,16-/m1/s1",CC(C)=CC(=O)/C=C(\C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O7,pos_1_1sodium,330.167853172,OGCTZYQISGLJOL,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Spiraea cantoniensis,873706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea cantoniensis'],6,0,6.0 16883,2099,-1,,,,0.0,MS1_match,HFZMEUJVXAHGHG-LXRFXMBQSA-N,"InChI=1S/C16H26O7/c1-9(2)6-11(18)7-10(3)4-5-22-16-15(21)14(20)13(19)12(8-17)23-16/h4,6,12-17,19-21H,5,7-8H2,1-3H3/b10-4+/t12-,13-,14+,15-,16-/m1/s1",CC(C)=CC(=O)C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O7,pos_1_1sodium,330.167853172,HFZMEUJVXAHGHG,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Spiraea cantoniensis,873706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea cantoniensis'],6,0,6.0 16884,2099,-1,,,,0.0,MS1_match,JRITVVGPSXLNMR-MQVJRWFLSA-N,"InChI=1S/C32H52O14/c1-28-7-4-8-29(2,27(41)45-25-23(39)21(37)19(35)15(11-33)43-25)17(28)5-9-31-13-30(3,42)32(14-31,10-6-18(28)31)46-26-24(40)22(38)20(36)16(12-34)44-26/h15-26,33-40,42H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22+,23-,24-,25+,26+,28-,29-,30-,31-,32+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@@](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)(CC[C@H]12)[C@](C)(O)C3,C32H52O14,pos_2_2sodium,660.335706344,JRITVVGPSXLNMR,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Rubus chingii var. suavissimus,7057092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus chingii'],6,0,6.0 16885,2099,-1,,,,0.0,MS1_match,BBOCDRLDMQHWJP-WOUKDFQISA-N,"InChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m1/s1",OCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C12H17N5O5,pos_1_1proton1acetonitrile,311.122968644,BBOCDRLDMQHWJP,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 16886,2098,-1,,,,0.45224836,ISDB,OWDQPILTDJLGCN-VLXJIEOASA-N,"InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3/t12-,13-,19-/m1/s1",COC1=C[C@@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)[C@H]3CC1=O,C19H23NO4,,329.162708216,OWDQPILTDJLGCN,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dehaasia longipedicellata,6026167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia longipedicellata'],6,0,7.808993458747864 16887,2096,1954,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,1,8.5 16888,2094,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1proton,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,2,10.0 16889,2093,-1,,,,0.0,MS1_match,FHEHIXJLCWUPCZ-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2",C=CCc1ccc(O)c(O)c1,C9H10O2,pos_1_1proton1acetonitrile,150.06807956,FHEHIXJLCWUPCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum tenuifolium,5699220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tenuifolium'],6,0,6.0 16890,2093,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-FOIQADDNSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 16891,2093,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-YWZLYKJASA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 16892,2093,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-YWZLYKJASA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ocotea acutangula,6027126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutangula'],6,0,6.0 16893,2093,-1,,,,0.0,MS1_match,SAERKXUSZPTMCQ-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-17(25-4)20(22)19-13-10-16(24-3)15(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,SAERKXUSZPTMCQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea valerioana,6027536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea valeriana'],6,0,6.0 16894,2093,-1,,,,0.0,MS1_match,SAERKXUSZPTMCQ-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-17(25-4)20(22)19-13-10-16(24-3)15(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,SAERKXUSZPTMCQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea valerioana,6027536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea valeriana'],6,0,6.0 16895,2093,-1,,,,0.0,MS1_match,MMPSCNRRQGVBGG-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-14(22)19(24-3)18-16(12)13(21)9-11-5-6-15(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,MMPSCNRRQGVBGG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 16896,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 16897,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 16898,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea calophylla,6026573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea calophylla'],6,0,6.0 16899,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea,76670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Unknown'],6,0,6.0 16900,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,0,6.0 16901,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,0,6.0 16902,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,0,6.0 16903,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,0,6.0 16904,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 16905,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,0,6.0 16906,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne speciosa,6025247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne speciosa'],6,0,6.0 16907,2093,-1,,,,0.0,MS1_match,ZQCGNPNWSMJDEF-HOTGVXAUSA-N,"InChI=1S/C20H23NO4/c1-21-15-6-12-8-19(24-3)20(25-4)10-14(12)16(21)5-11-7-18(23-2)17(22)9-13(11)15/h7-10,15-16,22H,5-6H2,1-4H3/t15-,16-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)N1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZQCGNPNWSMJDEF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,0,6.0 16908,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 16909,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 16910,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 16911,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum insulari-montanum,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,0,6.0 16912,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum yabunikkei,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,0,6.0 16913,2093,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-FOIQADDNSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 16914,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,0,6.0 16915,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,0,6.0 16916,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,0,6.0 16917,2093,-1,,,,0.0,MS1_match,MTZQAGJQAFMTAQ-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",CCOC(=O)c1ccccc1,C9H10O2,pos_1_1proton1acetonitrile,150.06807956,MTZQAGJQAFMTAQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,0,6.0 16918,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Alseodaphne perakensis,61206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Alseodaphne'],['Alseodaphne perakensis'],6,0,6.0 16919,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera erythrocarpa,971385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera erythrocarpa'],6,0,6.0 16920,2093,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea acutifolia,5699455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutifolia'],6,0,6.0 16921,2093,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum macrostemon,17158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum macrostemon'],6,0,6.0 16922,2093,-1,,,,0.0,MS1_match,ZQCGNPNWSMJDEF-HOTGVXAUSA-N,"InChI=1S/C20H23NO4/c1-21-15-6-12-8-19(24-3)20(25-4)10-14(12)16(21)5-11-7-18(23-2)17(22)9-13(11)15/h7-10,15-16,22H,5-6H2,1-4H3/t15-,16-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)N1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZQCGNPNWSMJDEF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,0,6.0 16923,2093,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3",COC1=CC23CCN(C)C(Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 16924,2093,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 16925,2093,-1,,,,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_2_2proton1acetonitrile,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,0,6.0 16926,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 16927,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea brachybotra,416837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea brachybotrya'],6,0,6.0 16928,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea macropoda,5699288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea macropoda'],6,0,6.0 16929,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821600006,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 16930,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821600006,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea acutifolia,5699455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutifolia'],6,0,6.0 16931,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha,218936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Unknown'],6,0,6.0 16932,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 16933,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea brachybotra,416837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea brachybotrya'],6,0,6.0 16934,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea macropoda,5699288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea macropoda'],6,0,6.0 16935,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821600006,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 16936,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821600006,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea acutifolia,5699455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutifolia'],6,0,6.0 16937,2093,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha,218936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Unknown'],6,0,6.0 16938,2093,-1,,,,0.0,MS1_match,KJAVJETZYFENNG-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(23-2)20(25-4)18-16(12)13(21)9-11-5-6-14(22)19(24-3)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,KJAVJETZYFENNG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera praecox,5699258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera praecox'],6,0,6.0 16939,2093,-1,,,,0.0,MS1_match,MNYYCWDTJBJERS-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-17(24-3)20(25-4)19-13-10-15(22)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,MNYYCWDTJBJERS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya griffithiana,5699339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya griffithiana'],6,0,6.0 16940,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,0,6.0 16941,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,0,6.0 16942,2093,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,0,6.0 16943,2093,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,0,6.0 16944,2093,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,0,6.0 16945,2093,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 16946,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,0,6.0 16947,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,0,6.0 16948,2093,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-FOIQADDNSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,0,6.0 16949,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,0,6.0 16950,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea holdridgeiana,6027302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea holdridgeiana'],6,0,6.0 16951,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea brenesii,6027184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea brenesii'],6,0,6.0 16952,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea holdridgeana,7048509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea holdridgeana'],6,0,6.0 16953,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 16954,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea macrophylla,6027360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea macrophylla'],6,0,6.0 16955,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 16956,2093,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aiouea tonduzii,6025853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea tonduzii'],6,0,6.0 16957,2093,-1,,,,0.0,MS1_match,XEZBZEXZYWKCJZ-FQEVSTJZSA-N,"InChI=1S/C20H23NO4/c1-20-10-12-7-14(22)15(23-2)9-13(12)17-18(20)11(5-6-21-20)8-16(24-3)19(17)25-4/h7-9,21-22H,5-6,10H2,1-4H3/t20-/m0/s1",COc1cc2c(cc1O)C[C@]1(C)NCCc3cc(OC)c(OC)c-2c31,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821599994,XEZBZEXZYWKCJZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Beilschmiedia kunstleri,5699367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia kunstleri'],6,0,6.0 16958,2091,300,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,0.2971121,ISDB,,,,,,,VRSLSMSXIFJONL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.188448429107666 16959,2090,-1,,,,0.0,MS1_match,PZOSJQZCHVKTQJ-ZJUUUORDSA-N,"InChI=1S/C10H12O4/c1-7(11)14-10-3-2-8(12)6-9(10)13-5-4-10/h2-3,9H,4-6H2,1H3/t9-,10+/m1/s1",CC(=O)O[C@]12C=CC(=O)C[C@H]1OCC2,C10H12O4,pos_1_1proton1methanol,196.073558864,PZOSJQZCHVKTQJ,,,,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,0,7.0 16960,2089,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.5337725,ISDB,UQLCCNUNFVYYLX-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-6(2)9-8(12)5-4-7(10(9)13)11(14)15-3/h4-6,12-13H,1-3H3",COC(=O)c1ccc(O)c(C(C)C)c1O,C11H14O4,,210.089208928,UQLCCNUNFVYYLX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),,Arrowsmithia hamata,5522304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Macowania'],['Macowania hamata'],4,0,6.135090112686157 16961,2088,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.44935274,ISDB,VLDJCNQOIAEWHD-OBQKRMBVSA-N,"InChI=1S/C34H42O21/c1-10-20(38)24(42)27(45)32(50-10)49-9-18-22(40)26(44)29(47)34(54-18)55-31-23(41)19-14(37)6-12(51-33-28(46)25(43)21(39)17(8-35)53-33)7-16(19)52-30(31)11-3-4-13(36)15(5-11)48-2/h3-7,10,17-18,20-22,24-29,32-40,42-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,29+,32+,33+,34-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C34H42O21,,786.221858364,VLDJCNQOIAEWHD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,3,9.29741096496582 16962,2087,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16963,2087,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16964,2087,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16965,2087,685,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 16966,2086,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.59890574,ISDB,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.895622968673706 16967,2085,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8068582,ISDB,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.72743272781372 16968,2084,722,Alkaloids,Steroids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_2_2proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16969,2084,722,Alkaloids,Steroids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_2_2proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16970,2084,722,Alkaloids,Steroids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_2_2proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16971,2084,722,Alkaloids,Steroids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_2_2proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16972,2083,2599,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8137916,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.755166292190552 16973,2081,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6081568,ISDB,HUHYPGHUVADQQH-UHFFFAOYSA-N,"InChI=1S/C24H34O/c1-9-17-15-19(23(3,4)5)11-13-21(17)25-22-14-12-20(24(6,7)8)16-18(22)10-2/h11-16H,9-10H2,1-8H3",CCc1cc(C(C)(C)C)ccc1Oc1ccc(C(C)(C)C)cc1CC,C24H34O,,338.260965708,HUHYPGHUVADQQH,Polyketides,,,Basella alba,63162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Basellaceae'],['Unknown'],['Basella'],['Basella alba'],4,0,6.432627201080322 16974,2080,1112,,,,0.548551,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.194204092025757 16975,2079,1821,Alkaloids,Lysine alkaloids,,0.6606478,ISDB,CJAWLAWAWJGSJC-HULLSVINSA-N,"InChI=1S/C17H30N2O2/c1-13-10-14(12-15-6-3-4-8-18(15)20)16-7-5-9-19(2,21)17(16)11-13/h13-14,16-17H,3-12H2,1-2H3/t13-,14+,16-,17-,19+/m1/s1",C[C@@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@H]2CCC[N@+](C)([O-])[C@@H]2C1,C17H30N2O2,,294.2307282,CJAWLAWAWJGSJC,Alkaloids,Lysine alkaloids,,Huperzia serrata,643276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Huperzia'],['Huperzia serrata'],3,2,6.642591238021851 16976,2077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28377387,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,8.635095477104187 16977,2077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28377387,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.635095477104187 16978,2077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28377387,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.635095477104187 16979,2077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28377387,ISDB,MOJZMWJRUKIQGL-POEQRLLMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,8.635095477104187 16980,2077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28377387,ISDB,MOJZMWJRUKIQGL-POEQRLLMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,8.635095477104187 16981,2077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28377387,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.635095477104187 16982,2077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28377387,ISDB,MOJZMWJRUKIQGL-FQVWZTFVSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38-,39-,40-,41+,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,8.635095477104187 16983,2076,1666,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VLDJCNQOIAEWHD-OBQKRMBVSA-N,"InChI=1S/C34H42O21/c1-10-20(38)24(42)27(45)32(50-10)49-9-18-22(40)26(44)29(47)34(54-18)55-31-23(41)19-14(37)6-12(51-33-28(46)25(43)21(39)17(8-35)53-33)7-16(19)52-30(31)11-3-4-13(36)15(5-11)48-2/h3-7,10,17-18,20-22,24-29,32-40,42-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,29+,32+,33+,34-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C34H42O21,pos_1_1sodium,786.221858364,VLDJCNQOIAEWHD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,3,7.5 16984,2075,643,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.88231647,ISDB,UIDGLYUNOUKLBM-GEBJFKNCSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C28H32O16,,624.1690349439999,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,14.029265880584717 16985,2074,314,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6006906,ISDB,XQDFUPVITSTOSR-GFCCVEGCSA-N,"InChI=1S/C13H22N2O2/c1-8(2)6-10-7-14-11(13(16)15-10)12(17-5)9(3)4/h7-9,12H,6H2,1-5H3,(H,15,16)/t12-/m1/s1",CO[C@@H](c1ncc(CC(C)C)[nH]c1=O)C(C)C,C13H22N2O2,,238.168127944,XQDFUPVITSTOSR,Alkaloids,Tetramate alkaloids,Pyrazine and Piperazine alkaloids,Aspergillus ochraceus,283734.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus ochraceus'],1,0,3.4027624130249023 16986,2073,2335,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 16987,2072,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30831507,ISDB,QRFZGLTZLZZHCM-NWYMYRDLSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,,1442.332590583999,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.73326027393341 16988,2072,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30831507,ISDB,QRFZGLTZLZZHCM-NWYMYRDLSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,,1442.332590583999,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.73326027393341 16989,2072,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30831507,ISDB,QRFZGLTZLZZHCM-NWYMYRDLSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,,1442.332590583999,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.73326027393341 16990,2072,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30831507,ISDB,QRFZGLTZLZZHCM-NWYMYRDLSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,,1442.332590583999,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.73326027393341 16991,2072,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30831507,ISDB,QRFZGLTZLZZHCM-NWYMYRDLSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,,1442.332590583999,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,8.73326027393341 16992,2072,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30831507,ISDB,QRFZGLTZLZZHCM-NWYMYRDLSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,,1442.332590583999,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,3,8.73326027393341 16993,2071,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ammonium,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 16994,2071,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ammonium,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,0,9.0 16995,2071,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-YOVYLDAJSA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1proton1ammonium,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,0,9.0 16996,2068,-1,,,,0.61121184,ISDB,ZLIHBZFNMQLPOT-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h12-13,15-17H,3-11,14H2,1-2H3",CCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C21H31NO,,313.240564612,ZLIHBZFNMQLPOT,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Ruta graveolens,596623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ruta'],['Ruta graveolens'],4,0,6.444847345352173 16997,2068,-1,,,,0.61121184,ISDB,ZLIHBZFNMQLPOT-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)2/h12-13,15-17H,3-11,14H2,1-2H3",CCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C21H31NO,,313.240564612,ZLIHBZFNMQLPOT,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Euodia rutaecarpa,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,0,6.444847345352173 16998,2067,314,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,0.6742138,ISDB,XZDCNNOTTUOTGE-UHFFFAOYSA-N,"InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3",CC(C)c1ccc2c3c(ccc2c1)C(C)(C)CCC3,C19H24,,252.187800768,XZDCNNOTTUOTGE,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Salvinia molesta,364724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Salviniales'],['Salviniaceae'],['Unknown'],['Salvinia'],['Salvinia molesta'],3,3,7.196855306625366 16999,2066,2210,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.38859162,ISDB,QVZOWZDCVPBRHM-UHFFFAOYSA-N,"InChI=1S/C17H27N/c1-2-3-4-5-6-7-10-15-11-8-13-17-16(15)12-9-14-18-17/h8,11,13,18H,2-7,9-10,12,14H2,1H3",CCCCCCCCc1cccc2c1CCCN2,C17H27N,,245.214349864,QVZOWZDCVPBRHM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Streptomyces nigrescens,153062.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces nigrescens'],0,3,3.0543664693832397 17000,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-ULIPXBITSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.09468823199995,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus,480791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Unknown'],7,1,7.5 17001,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-ULIPXBITSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.09468823199995,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus nodiflorus,480787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus nodiflorus'],7,1,7.5 17002,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-GIDUJCDVSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+",O=C1OCC(Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.0946882319999,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus sessiliflorus,2116.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus sessiliflorus'],7,1,7.5 17003,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-ULIPXBITSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.09468823199995,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus,480791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Unknown'],7,1,7.5 17004,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-ULIPXBITSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.09468823199995,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus nodiflorus,480787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus nodiflorus'],7,1,7.5 17005,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-GIDUJCDVSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+",O=C1OCC(Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.0946882319999,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus sessiliflorus,2116.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus sessiliflorus'],7,1,7.5 17006,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-ULIPXBITSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.09468823199995,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus,480791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Unknown'],7,1,7.5 17007,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-ULIPXBITSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1",O=C1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.09468823199995,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus nodiflorus,480787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus nodiflorus'],7,1,7.5 17008,2065,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,CMJGAYUQSLJSCR-GIDUJCDVSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+",O=C1OCC(Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2,C20H16O6,pos_2_2proton,352.0946882319999,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Eleutherococcus sessiliflorus,2116.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus sessiliflorus'],7,1,7.5 17009,2064,-1,,,,0.567589,ISDB,LSNBIAKOKAZXBW-OFQRWUPVSA-N,"InChI=1S/C16H26N2O2/c19-12-18-10-4-7-13-5-3-6-14(16(13)18)11-17-9-2-1-8-15(17)20/h12-14,16H,1-11H2/t13-,14-,16+/m0/s1",O=CN1CCC[C@@H]2CCC[C@@H](CN3CCCCC3=O)[C@@H]21,C16H26N2O2,,278.199428072,LSNBIAKOKAZXBW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Mycetia nutans,3882229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Argostemmateae'],['Mycetia'],['Mycetia nutans'],4,0,6.270355939865112 17010,2064,-1,,,,0.567589,ISDB,LSNBIAKOKAZXBW-OFQRWUPVSA-N,"InChI=1S/C16H26N2O2/c19-12-18-10-4-7-13-5-3-6-14(16(13)18)11-17-9-2-1-8-15(17)20/h12-14,16H,1-11H2/t13-,14-,16+/m0/s1",O=CN1CCC[C@@H]2CCC[C@@H](CN3CCCCC3=O)[C@@H]21,C16H26N2O2,,278.199428072,LSNBIAKOKAZXBW,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Myrioneuron nutans,3882229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Argostemmateae'],['Mycetia'],['Mycetia nutans'],4,0,6.270355939865112 17011,2063,-1,,,,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1sodium,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 17012,2063,-1,,,,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1sodium,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia salicifolia,863074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia salicifolia'],7,0,7.0 17013,2063,-1,,,,0.0,MS1_match,FNMHEHXNBNCPCI-QEOJJFGVSA-N,"InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1sodium,624.205420452,FNMHEHXNBNCPCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 17014,2063,-1,,,,0.0,MS1_match,NFBNGFRFMOYOCE-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)28(41-13)44-27-25(39)26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(OC(=O)C=Cc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O,C29H36O15,pos_1_1sodium,624.205420452,NFBNGFRFMOYOCE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 17015,2063,-1,,,,0.0,MS1_match,QLZWUGOYBODRLF-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C29H36O15,pos_1_1sodium,624.205420452,QLZWUGOYBODRLF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 17016,2063,-1,,,,0.0,MS1_match,QLZWUGOYBODRLF-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C29H36O15,pos_1_1sodium,624.205420452,QLZWUGOYBODRLF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 17017,2063,-1,,,,0.0,MS1_match,UQLLVROLGGKAEB-QQLYGORSSA-N,"InChI=1S/C29H36O15/c1-13-22(35)24(37)26(39)28(42-13)44-27-25(38)23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-29(27)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28-,29+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1sodium,624.205420452,UQLLVROLGGKAEB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 17018,2061,-1,,,,0.37897334,ISDB,DCHOCALQKLMFKN-LLVKDONJSA-N,"InChI=1S/C15H16O7/c1-15(2,18)11(16)6-19-10-5-9-8(3-4-12(17)22-9)13-14(10)21-7-20-13/h3-5,11,16,18H,6-7H2,1-2H3/t11-/m1/s1",CC(C)(O)[C@H](O)COc1cc2oc(=O)ccc2c2c1OCO2,C15H16O7,,308.089602852,DCHOCALQKLMFKN,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Pterocaulon balansae,5920999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon balansae'],4,0,5.515893340110779 17019,2059,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78473645,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.638945817947388 17020,2059,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78473645,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.638945817947388 17021,2058,2427,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 17022,2058,2427,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 17023,2058,2427,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 17024,2057,2174,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HLSIOUXODPWHFI-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3",COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc1,C17H14O7,pos_1_minus1proton1calcium,330.073952788,HLSIOUXODPWHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17025,2056,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_1_1sodium,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 17026,2054,-1,,,,0.0,MS1_match,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,pos_1_minus1proton1iron,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 17027,2054,-1,,,,0.0,MS1_match,PGZCJOPTDHWYES-HMXCVIKNSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12,C21H30O2,pos_1_minus1proton1iron,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 17028,2053,-1,,,,0.0,MS1_match,ZKSZEJFBGODIJW-GMDXDWKASA-N,"InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H17NO6,pos_2MNa,295.105587264,ZKSZEJFBGODIJW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 17029,2053,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1proton1ammonium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 17030,2053,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1proton1ammonium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 17031,2053,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_1_1proton1ammonium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 17032,2052,-1,,,,0.0,MS1_match,FDBPAKHHKJZPKD-YULCGJSVSA-N,"InChI=1S/C24H40N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,9,16,18-19,21-22,25H,8,10-15H2,1-6H3/t16-,18-,19-,21-,22-,23-,24+/m0/s1",CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1,C24H40N2,pos_2_2proton,356.31914928,FDBPAKHHKJZPKD,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 17033,2051,-1,,,,0.0,MS1_match,BJEHEPQJTRPTDU-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,1-2H3",CC#Cc1ccc(O)c(OC)c1,C10H10O2,pos_1_1proton,162.06807956,BJEHEPQJTRPTDU,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 17034,2045,595,Shikimates and Phenylpropanoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1proton1ammonium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17035,2045,595,Shikimates and Phenylpropanoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1proton1ammonium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17036,2045,595,Shikimates and Phenylpropanoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1proton1ammonium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17037,2045,595,Shikimates and Phenylpropanoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1proton1ammonium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17038,2045,595,Shikimates and Phenylpropanoids,Monoterpenoids,Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1proton1ammonium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17039,2044,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17040,2044,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17041,2043,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1sodium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17042,2043,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1sodium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17043,2043,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1sodium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17044,2043,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1sodium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17045,2043,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1sodium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17046,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia sanguinolenta,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.618196964263916 17047,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia complanata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.618196964263916 17048,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia paniculata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.618196964263916 17049,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia colorata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.618196964263916 17050,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-UHFFFAOYSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2",O=C1OC2C(OC(CO)C(O)C2O)c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia japonica,565684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia japonica'],4,3,6.618196964263916 17051,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Flueggea virosa,351505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea virosa'],4,3,6.618196964263916 17052,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-HZQLJAILSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Rodgersia podophylla,429366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Rodgersia'],['Rodgersia podophylla'],4,3,6.618196964263916 17053,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Saxifraga stolonifera,816926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Saxifraga'],['Saxifraga stolonifera'],4,3,6.618196964263916 17054,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],4,3,6.618196964263916 17055,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],4,3,6.618196964263916 17056,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],4,3,6.618196964263916 17057,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-UHFFFAOYSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2",O=C1OC2C(OC(CO)C(O)C2O)c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,3,6.618196964263916 17058,2042,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.27954924,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],4,3,6.618196964263916 17059,2041,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.5659759,ISDB,VWHYFMQKJYFLCC-DUXPYHPUSA-N,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1,C19H20O5,,328.1310737399999,VWHYFMQKJYFLCC,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],5,1,7.763903617858887 17060,2040,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.7944427,ISDB,ZVUKDEUIFQUXQP-SNAWJCMRSA-N,"InChI=1S/C19H18O4/c1-4-5-12-6-7-16-13(8-12)9-18(23-16)19-15(20)10-14(21-2)11-17(19)22-3/h4-11,20H,1-3H3/b5-4+",C/C=C/c1ccc2oc(-c3c(O)cc(OC)cc3OC)cc2c1,C19H18O4,,310.120509056,ZVUKDEUIFQUXQP,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Krameria erecta,1091850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zygophyllales'],['Krameriaceae'],['Unknown'],['Krameria'],['Krameria erecta'],3,1,6.6777708530426025 17061,2040,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.7944427,ISDB,ZVUKDEUIFQUXQP-SNAWJCMRSA-N,"InChI=1S/C19H18O4/c1-4-5-12-6-7-16-13(8-12)9-18(23-16)19-15(20)10-14(21-2)11-17(19)22-3/h4-11,20H,1-3H3/b5-4+",C/C=C/c1ccc2oc(-c3c(O)cc(OC)cc3OC)cc2c1,C19H18O4,,310.120509056,ZVUKDEUIFQUXQP,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Krameria ramosissima,1091852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zygophyllales'],['Krameriaceae'],['Unknown'],['Krameria'],['Krameria ramosissima'],3,1,6.6777708530426025 17062,2040,1043,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.7944427,ISDB,ZVUKDEUIFQUXQP-SNAWJCMRSA-N,"InChI=1S/C19H18O4/c1-4-5-12-6-7-16-13(8-12)9-18(23-16)19-15(20)10-14(21-2)11-17(19)22-3/h4-11,20H,1-3H3/b5-4+",C/C=C/c1ccc2oc(-c3c(O)cc(OC)cc3OC)cc2c1,C19H18O4,,310.120509056,ZVUKDEUIFQUXQP,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Ceratostylis himalaica,3979399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Ceratostylis'],['Ceratostylis himalaica'],3,1,6.6777708530426025 17063,2039,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.626282,ISDB,INBPQAJYHSJVRY-ZDUSSCGKSA-N,"InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2,C16H14O4,,270.089208928,INBPQAJYHSJVRY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus peuce,837891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus peuce'],5,2,8.505127906799316 17064,2039,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.626282,ISDB,INBPQAJYHSJVRY-ZDUSSCGKSA-N,"InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2,C16H14O4,,270.089208928,INBPQAJYHSJVRY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus parviflora,837898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus parviflora'],5,2,8.505127906799316 17065,2039,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.626282,ISDB,INBPQAJYHSJVRY-ZDUSSCGKSA-N,"InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2,C16H14O4,,270.089208928,INBPQAJYHSJVRY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],5,2,8.505127906799316 17066,2039,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.626282,ISDB,INBPQAJYHSJVRY-ZDUSSCGKSA-N,"InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2,C16H14O4,,270.089208928,INBPQAJYHSJVRY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus lambertiana,568626.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lambertiana'],5,2,8.505127906799316 17067,2039,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.626282,ISDB,INBPQAJYHSJVRY-ZDUSSCGKSA-N,"InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2,C16H14O4,,270.089208928,INBPQAJYHSJVRY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],5,2,8.505127906799316 17068,2039,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.626282,ISDB,INBPQAJYHSJVRY-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3",Cc1c(O)cc2c(c1O)C(=O)CC(c1ccccc1)O2,C16H14O4,,270.089208928,INBPQAJYHSJVRY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],5,2,8.505127906799316 17069,2039,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.626282,ISDB,INBPQAJYHSJVRY-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3",Cc1c(O)cc2c(c1O)C(=O)CC(c1ccccc1)O2,C16H14O4,,270.089208928,INBPQAJYHSJVRY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus krempfii,568623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus krempfii'],5,2,8.505127906799316 17070,2039,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.626282,ISDB,INBPQAJYHSJVRY-ZDUSSCGKSA-N,"InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1",Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2,C16H14O4,,270.089208928,INBPQAJYHSJVRY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus bungeana,786799.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus bungeana'],5,2,8.505127906799316 17071,2038,-1,,,,0.0,MS1_match,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,pos_2_2proton,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,7.0 17072,2038,-1,,,,0.0,MS1_match,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,pos_2_2proton,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 17073,2038,-1,,,,0.0,MS1_match,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,pos_2_2proton,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,7.0 17074,2038,-1,,,,0.0,MS1_match,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,pos_2_2proton,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 17075,2035,-1,,,,0.0,MS1_match,RWJNOPLVEMMIFF-VQCHMSJISA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-7-17(18)36-25-24(33)23(32)22(31)20(12-28)37-25)21(30)19(11-27)35-16-6-4-13(3-2-8-26)9-15(16)29/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21+,22+,23-,24+,25+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H34O12,pos_1_1sodium,526.2050265279998,RWJNOPLVEMMIFF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 17076,2035,-1,,,,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1sodium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 17077,2035,-1,,,,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1sodium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 17078,2035,-1,,,,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1sodium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 17079,2035,-1,,,,0.0,MS1_match,VZBPOJAXRHFNRT-IKNZJXHLSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)28)21(30)20(36-17-7-4-13(3-2-8-26)9-16(17)29)12-35-25-24(33)23(32)22(31)19(11-27)37-25/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1sodium,526.205026528,VZBPOJAXRHFNRT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 17080,2034,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27099395,ISDB,BUOLDWJIICQRBU-RGOYVLDUSA-N,"InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(12-1-2-17(39)19(41)3-12)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)13-4-22(44)31(48)23(45)5-13/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O17,,746.1482995000001,BUOLDWJIICQRBU,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhodiola semenovii,668902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola semenovii'],5,3,7.583975791931152 17081,2033,3188,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NMVFWKLBYUMROT-GJKPXIFESA-N,"InChI=1S/C26H28O14/c1-9-18(30)21(33)23(35)26(37-9)39-16-7-15-17(12(28)6-14(38-15)10-2-4-11(27)5-3-10)20(32)24(16)40-25-22(34)19(31)13(29)8-36-25/h2-7,9,13,18-19,21-23,25-27,29-35H,8H2,1H3/t9-,13+,18-,19-,21+,22+,23+,25-,26-/m0/s1",C[C@@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C26H28O14,pos_1_1proton,564.1479055759997,NMVFWKLBYUMROT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triumfetta rhomboidea,82863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Triumfetta'],['Triumfetta rhomboidea'],6,3,7.5 17082,2033,3188,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NMVFWKLBYUMROT-GJKPXIFESA-N,"InChI=1S/C26H28O14/c1-9-18(30)21(33)23(35)26(37-9)39-16-7-15-17(12(28)6-14(38-15)10-2-4-11(27)5-3-10)20(32)24(16)40-25-22(34)19(31)13(29)8-36-25/h2-7,9,13,18-19,21-23,25-27,29-35H,8H2,1H3/t9-,13+,18-,19-,21+,22+,23+,25-,26-/m0/s1",C[C@@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C26H28O14,pos_1_1proton,564.1479055759997,NMVFWKLBYUMROT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triumfetta rhomboidea,82863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Triumfetta'],['Triumfetta rhomboidea'],6,3,7.5 17083,2033,3188,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NMVFWKLBYUMROT-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-18(30)21(33)23(35)26(37-9)39-16-7-15-17(12(28)6-14(38-15)10-2-4-11(27)5-3-10)20(32)24(16)40-25-22(34)19(31)13(29)8-36-25/h2-7,9,13,18-19,21-23,25-27,29-35H,8H2,1H3",CC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,C26H28O14,pos_1_1proton,564.147905576,NMVFWKLBYUMROT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Urena lobata,485925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Urena'],['Urena lobata'],6,3,7.5 17084,2033,3188,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NMVFWKLBYUMROT-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-18(30)21(33)23(35)26(37-9)39-16-7-15-17(12(28)6-14(38-15)10-2-4-11(27)5-3-10)20(32)24(16)40-25-22(34)19(31)13(29)8-36-25/h2-7,9,13,18-19,21-23,25-27,29-35H,8H2,1H3",CC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,C26H28O14,pos_1_1proton,564.147905576,NMVFWKLBYUMROT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Urena lobata,485925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Urena'],['Urena lobata'],6,3,7.5 17085,2031,1950,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7553322,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,11.521328687667847 17086,2031,1950,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7553322,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.521328687667847 17087,2030,-1,,,,0.551266,ISDB,ATOJCJZNFVZOTD-HYXAFXHYSA-N,"InChI=1S/C24H32O/c25-24-20-14-19-23(21-24)18-11-8-6-4-2-1-3-5-7-10-15-22-16-12-9-13-17-22/h3,5,9,12-14,16-17,19-21,25H,1-2,4,6-8,10-11,15,18H2/b5-3-",Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1,C24H32O,,336.245315644,ATOJCJZNFVZOTD,Polyketides,Aromatic polyketides,Catechols with side chains,Knema laurina,206501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Myristicaceae'],['Unknown'],['Knema'],['Knema laurina'],4,0,6.205064058303833 17088,2028,-1,,,,0.50229657,ISDB,QUEGJCTXFCRAEB-IOJUWAHTSA-N,"InChI=1S/C26H42N2O/c1-17(27-5)20-11-13-26(4)22-8-7-21-18(14-19(22)10-12-25(20,26)3)6-9-23-24(21,2)15-29-16-28-23/h10,14,17,20-23,27-28H,6-9,11-13,15-16H2,1-5H3/t17-,20+,21+,22+,23-,24+,25+,26-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@@]14C,C26H42N2O,,398.329713964,QUEGJCTXFCRAEB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus papillosa,6128159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus papillosa'],7,0,9.009186267852783 17089,2027,1359,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.26239026,ISDB,,,,,,,YOOCVTIYZNOVKI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0495610237121582 17090,2026,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,RWJNOPLVEMMIFF-VQCHMSJISA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-7-17(18)36-25-24(33)23(32)22(31)20(12-28)37-25)21(30)19(11-27)35-16-6-4-13(3-2-8-26)9-15(16)29/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21+,22+,23-,24+,25+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H34O12,pos_1_1proton1ammonium,526.2050265279998,RWJNOPLVEMMIFF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 17091,2026,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1ammonium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 17092,2026,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1ammonium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 17093,2026,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1ammonium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 17094,2026,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,VZBPOJAXRHFNRT-IKNZJXHLSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)28)21(30)20(36-17-7-4-13(3-2-8-26)9-16(17)29)12-35-25-24(33)23(32)22(31)19(11-27)37-25/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1ammonium,526.205026528,VZBPOJAXRHFNRT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 17095,2025,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5140393,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Juniperus sabina,209226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus sabina'],6,3,9.556157112121582 17096,2025,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5140393,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,3,9.556157112121582 17097,2023,238,Shikimates and Phenylpropanoids,Coumarins,Naphthalenes and derivatives,0.59842896,ISDB,WLZPYTDCBHITRF-UHFFFAOYSA-N,"InChI=1S/C11H10O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3",COc1cccc2c(O)cccc12,C11H10O2,,174.06807956,WLZPYTDCBHITRF,Polyketides,Naphthalenes,Naphthalenes and derivatives,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],3,3,6.893715858459473 17098,2022,-1,,,,0.7771249,ISDB,,,,,,,FLYVWXGQNHFYKN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.108499526977539 17099,2021,1146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17100,2021,1146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17101,2021,1146,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17102,2020,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.698608,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.294431924819946 17103,2019,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-SCXLGCMQSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19-,20-,21+,22-,23+,25-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 17104,2019,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-JORXNSFBSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 17105,2019,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-SCXLGCMQSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19-,20-,21+,22-,23+,25-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 17106,2019,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-JORXNSFBSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 17107,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,13.13974404335022 17108,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.13974404335022 17109,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,3,13.13974404335022 17110,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,13.13974404335022 17111,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,13.13974404335022 17112,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,3,13.13974404335022 17113,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,3,13.13974404335022 17114,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,13.13974404335022 17115,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,3,13.13974404335022 17116,2014,113,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.909936,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,3,13.13974404335022 17117,2013,-1,,,,0.0,MS1_match,VVORHJGZEJOPHP-PZGJQPMXSA-N,"InChI=1S/C47H74O20/c1-19(49)21-9-14-47(16-15-44(4)22(28(21)47)7-8-25-43(3)12-11-27(50)46(6,41(59)60)26(43)10-13-45(25,44)5)42(61)67-40-35(57)32(54)30(52)24(65-40)18-62-38-36(58)33(55)37(23(17-48)64-38)66-39-34(56)31(53)29(51)20(2)63-39/h20-40,48,50-58H,7-18H2,1-6H3,(H,59,60)/t20-,21-,22+,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,43+,44+,45+,46-,47-/m0/s1",CC(=O)[C@@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO[C@H]4O[C@@H](CO)[C@H](O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]12,C47H74O20,pos_2_2proton,958.477344768,VVORHJGZEJOPHP,Terpenoids,Triterpenoids,Lupane triterpenoids,Eleutherococcus divaricatus,163581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus divaricatus'],7,0,7.0 17118,2012,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton1isopropanol,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,1,7.5 17119,2011,709,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7296547,ISDB,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.41861891746521 17120,2010,-1,,,,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_2_2proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17121,2009,2518,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_2_2proton1ammonium,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17122,2009,2518,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_2_2proton,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17123,2008,-1,,,,0.68582666,ISDB,,,,,,,FTXPWZSJTRPMIE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7433066368103027 17124,2006,-1,,,,0.0,MS1_match,XQDNFAMOIPNVES-UHFFFAOYSA-N,"InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3",COc1cc(O)cc(OC)c1,C8H10O3,pos_1_1proton,154.06299418,XQDNFAMOIPNVES,Polyketides,Phloroglucinols,Acyl phloroglucinols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 17125,2005,598,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PKORXOLYTWDULG-KSSFIOAISA-N,"InChI=1S/C19H22O6/c1-24-17-9-12(4-5-15(17)22)18-14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25-18/h4-5,7-9,14,18,20-23H,2-3,6,10H2,1H3/t14-,18-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O,C19H22O6,pos_1_1proton1acetonitrile,346.14163842399995,PKORXOLYTWDULG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 17126,2005,598,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,PKORXOLYTWDULG-KSSFIOAISA-N,"InChI=1S/C19H22O6/c1-24-17-9-12(4-5-15(17)22)18-14(10-21)13-7-11(3-2-6-20)8-16(23)19(13)25-18/h4-5,7-9,14,18,20-23H,2-3,6,10H2,1H3/t14-,18-/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O,C19H22O6,pos_1_1proton1acetonitrile,346.14163842399995,PKORXOLYTWDULG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 17127,2001,-1,,,,0.6611732,ISDB,CQMSQHDOEOFIOD-NPSKNBIOSA-N,"InChI=1S/C32H38O20/c1-9-19(38)23(42)25(44)30(48-9)47-8-17-21(40)28(51-31-24(43)20(39)15(37)7-46-31)26(45)32(50-17)52-29-22(41)18-14(36)5-11(33)6-16(18)49-27(29)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,28,30-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24+,25+,26+,28-,30+,31-,32-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C32H38O20,,742.195643616,CQMSQHDOEOFIOD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Camellia reticulata,83755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia reticulata'],4,0,6.644692897796631 17128,2000,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6702271,ISDB,JQXBHAOCMVWRCI-UHFFFAOYSA-N,"InChI=1S/C18H18O4/c19-16-9-5-14-2-1-11-21-18(20)10-6-13-3-7-15(8-4-13)22-17(16)12-14/h3-5,7-9,12,19H,1-2,6,10-11H2",O=C1CCc2ccc(cc2)Oc2cc(ccc2O)CCCO1,C18H18O4,,298.12050905599995,JQXBHAOCMVWRCI,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],3,3,7.180908441543579 17129,1999,2488,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.57323223,ISDB,LUKBXSAWLPMMSZ-OWOJBTEDSA-N,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+",Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,C14H12O3,,228.078644244,LUKBXSAWLPMMSZ,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus koraiensis,830806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus koraiensis'],6,3,9.79292893409729 17130,1999,2488,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.57323223,ISDB,LUKBXSAWLPMMSZ-OWOJBTEDSA-N,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+",Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,C14H12O3,,228.078644244,LUKBXSAWLPMMSZ,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,9.79292893409729 17131,1998,-1,,,,0.0,MS1_match,WLJVXDMOQOGPHL-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",O=C(O)Cc1ccccc1,C8H8O2,pos_1_1proton,136.052429496,WLJVXDMOQOGPHL,Shikimates and Phenylpropanoids,,,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 17132,1996,957,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.44915646,ISDB,BYDQKMZEOZVIJM-ZGCJARKRSA-N,"InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9-",C/C=C\C=C1\C(C)=CCCC1(C)C,C13H20,,176.15650064,BYDQKMZEOZVIJM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],4,3,7.296625852584839 17133,1995,-1,,,,0.0,MS1_match,RWJNOPLVEMMIFF-VQCHMSJISA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-7-17(18)36-25-24(33)23(32)22(31)20(12-28)37-25)21(30)19(11-27)35-16-6-4-13(3-2-8-26)9-15(16)29/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21+,22+,23-,24+,25+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H34O12,pos_2MNa,526.2050265279998,RWJNOPLVEMMIFF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 17134,1995,-1,,,,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_2MNa,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 17135,1994,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.3020897,ISDB,GUOSQNAUYHMCRU-UHFFFAOYSA-N,"InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)",NCCCCCCCCCCC(=O)O,C11H23NO2,,201.172878976,GUOSQNAUYHMCRU,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,2.2083587646484375 17136,1994,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.3020897,ISDB,GUOSQNAUYHMCRU-UHFFFAOYSA-N,"InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)",NCCCCCCCCCCC(=O)O,C11H23NO2,,201.172878976,GUOSQNAUYHMCRU,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],1,0,2.2083587646484375 17137,1993,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37842318,ISDB,JSHLJKSNROBZCN-GKSSWXCNSA-N,"InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1,C30H26O10,,546.1525970319999,JSHLJKSNROBZCN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],5,3,8.013692736625671 17138,1990,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7946407,ISDB,YHDXKMHPOOQARK-NHYAYHNCSA-N,"InChI=1S/C21H26O12/c1-8-14(23)16(25)18(27)20(30-8)29-7-12-15(24)17(26)19(28)21(33-12)31-10-4-2-9-3-5-13(22)32-11(9)6-10/h2-6,8,12,14-21,23-28H,7H2,1H3/t8-,12+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc4ccc(=O)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H26O12,,470.142426272,YHDXKMHPOOQARK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Morus nigra,299656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus nigra'],4,1,7.678562879562378 17139,1989,2669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,GXSGZLLXMDVQAS-NQNKBUKLSA-N,"InChI=1S/C17H24O8/c1-9(19)3-4-10-5-6-11(12(7-10)23-2)24-17-16(22)15(21)14(20)13(8-18)25-17/h5-7,13-18,20-22H,3-4,8H2,1-2H3/t13-,14-,15+,16-,17-/m1/s1",COc1cc(CCC(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O8,pos_1_1sodium,356.1471177279999,GXSGZLLXMDVQAS,,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 17140,1989,2669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,GXSGZLLXMDVQAS-NQNKBUKLSA-N,"InChI=1S/C17H24O8/c1-9(19)3-4-10-5-6-11(12(7-10)23-2)24-17-16(22)15(21)14(20)13(8-18)25-17/h5-7,13-18,20-22H,3-4,8H2,1-2H3/t13-,14-,15+,16-,17-/m1/s1",COc1cc(CCC(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O8,pos_1_1sodium,356.1471177279999,GXSGZLLXMDVQAS,,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 17141,1988,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.85284024,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,3,11.9113609790802 17142,1986,465,,,,0.5270894,ISDB,,,,,,,PZYVCAAILFDNEG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1083576679229736 17143,1984,1599,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.0,MS1_match,MRTXWRPVFGYIEY-DEPWHIHDSA-N,"InChI=1S/C21H30O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,16-17,22,24H,6,9-10,12H2,1-5H3/t16-,17-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3[C@H](O)C[C@@H]12,C21H30O4,pos_2MFe,346.21440944,MRTXWRPVFGYIEY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,3,7.5 17144,1983,-1,,,,0.0,MS1_match,RWJNOPLVEMMIFF-VQCHMSJISA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-7-17(18)36-25-24(33)23(32)22(31)20(12-28)37-25)21(30)19(11-27)35-16-6-4-13(3-2-8-26)9-15(16)29/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21+,22+,23-,24+,25+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H34O12,pos_1_1potassium,526.2050265279998,RWJNOPLVEMMIFF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 17145,1983,-1,,,,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1potassium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 17146,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Peltogyne confertiflora,795011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Detarieae'],['Peltogyne'],['Peltogyne confertiflora'],4,3,7.998913049697876 17147,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Aesculus turbinata,332616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus turbinata'],4,3,7.998913049697876 17148,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ocotea odorifera,495879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea odorifera'],4,3,7.998913049697876 17149,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Acer nikoense,764651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Acereae'],['Acer'],['Acer maximowiczianum'],4,3,7.998913049697876 17150,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Parthenocissus tricuspidata,417328.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Parthenocisseae'],['Parthenocissus'],['Parthenocissus tricuspidata'],4,3,7.998913049697876 17151,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Gutierrezia sphaerocephala,3898456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia sphaerocephala'],4,3,7.998913049697876 17152,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhododendron tomentosum,945421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron tomentosum'],4,3,7.998913049697876 17153,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhododendron groenlandicum,649881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron groenlandicum'],4,3,7.998913049697876 17154,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha ciliata,3914323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha ciliata'],4,3,7.998913049697876 17155,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Peltogyne venosa,698931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Detarieae'],['Peltogyne'],['Peltogyne venosa'],4,3,7.998913049697876 17156,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Protium heptaphyllum,645420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Protium'],['Protium heptaphyllum'],4,3,7.998913049697876 17157,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus pallisiae,272107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus pallisae'],4,3,7.998913049697876 17158,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus excelsior,671802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus excelsior'],4,3,7.998913049697876 17159,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Haplophyllum obtusifolium,762592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum obtusifolium'],4,3,7.998913049697876 17160,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus ornus,671798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus ornus'],4,3,7.998913049697876 17161,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],4,3,7.998913049697876 17162,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Salsola laricifolia,623572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Salsola'],['Salsola laricifolia'],4,3,7.998913049697876 17163,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Santolina pinnata,652099.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina pinnata'],4,3,7.998913049697876 17164,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus longicuspis,846454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus longicuspis'],4,3,7.998913049697876 17165,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mondia whitei,475399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Unknown'],['Mondia'],['Mondia whitei'],4,3,7.998913049697876 17166,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus floribunda,883339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus floribunda'],4,3,7.998913049697876 17167,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Campanula dolomitica,988502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Campanula'],['Campanula dolomitica'],4,3,7.998913049697876 17168,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Bupleurum fruticosum,49592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum fruticosum'],4,3,7.998913049697876 17169,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pulicaria wightiana,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],4,3,7.998913049697876 17170,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pelargonium sidoides,5516854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Pelargonium'],['Pelargonium sidoides'],4,3,7.998913049697876 17171,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Arivela viscosa,500051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Corynandra'],['Corynandra viscosa'],4,3,7.998913049697876 17172,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Aesculus hippocastanum,404238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus hippocastanum'],4,3,7.998913049697876 17173,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon purpurascens,5921004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon purpurascens'],4,3,7.998913049697876 17174,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus bungeana,308670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus bungeana'],4,3,7.998913049697876 17175,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus chinensis,846439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus chinensis'],4,3,7.998913049697876 17176,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha glandulifera,610113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha glandulifera'],4,3,7.998913049697876 17177,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus mandshurica,272095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus mandshurica'],4,3,7.998913049697876 17178,1982,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.62472826,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Licaria aurea,6026397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria aurea'],4,3,7.998913049697876 17179,1980,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 17180,1979,-1,,,,0.50066537,ISDB,,,,,,,DKEDPORDDYCQMG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0026614665985107 17181,1976,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 17182,1976,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 17183,1976,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 17184,1976,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 17185,1976,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 17186,1976,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 17187,1976,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 17188,1974,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.44902584,ISDB,ZBJGGLXQNXXXRO-VCZRHBNQSA-N,"InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h7-12,15-17,19H,4-6,13-14H2,1-3H3/b8-7+,10-9+,12-11+/t15-,16+,17+/m0/s1",CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1C,C17H29NO,,263.224914548,ZBJGGLXQNXXXRO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],4,1,6.296103358268738 17189,1973,1530,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RDUAJIJVNHKTQC-PABQPRPFSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18+,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,7.5 17190,1972,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21820636,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.37282544374466 17191,1972,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21820636,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.37282544374466 17192,1972,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21820636,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.37282544374466 17193,1972,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21820636,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,8.37282544374466 17194,1972,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21820636,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.37282544374466 17195,1972,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21820636,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Guazuma ulmifolia,526994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Guazuma'],['Guazuma ulmifolia'],6,3,8.37282544374466 17196,1972,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21820636,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,3,8.37282544374466 17197,1972,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21820636,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,8.37282544374466 17198,1969,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 17199,1969,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17200,1969,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 17201,1966,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5151458,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.060583114624023 17202,1965,271,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2015742,ISDB,CTGMCYNSUYQXFH-FVOPLDGLSA-N,"InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-13(17)23-12(15(19)20)8-14(18)22-2/h3-7,12,16H,8H2,1-2H3,(H,19,20)/b6-4+/t12-/m1/s1",COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)O,C15H16O8,,324.084517472,CTGMCYNSUYQXFH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,3,6.3062968254089355 17203,1964,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7838717,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.635486841201782 17204,1964,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7838717,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.635486841201782 17205,1962,2155,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9374034,ISDB,FDRQPMVGJOQVTL-JUNDQURQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],5,3,10.249613523483276 17206,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,7.5 17207,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VFVVDFLDUBZQGX-RRHNGELWSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49+,50-,52-,53-,54-,55-,56-,59-,60+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@@H]1c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@](c3ccc(O)c(O)c3)(O2)[C@@H]1O,C60H48O24,pos_1_1proton,1152.253552416,VFVVDFLDUBZQGX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,7.5 17208,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MIKRORKCMXNOCX-DYNSHIFESA-N,"InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44-,45+,46-,51-,52-,53-,54-,55-,59-,60+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,MIKRORKCMXNOCX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 17209,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MIKRORKCMXNOCX-IATHEQPCSA-N,"InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44+,45-,46+,51+,52+,53+,54+,55+,59+,60-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,MIKRORKCMXNOCX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17210,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MIKRORKCMXNOCX-IATHEQPCSA-N,"InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44+,45-,46+,51+,52+,53+,54+,55+,59+,60-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,MIKRORKCMXNOCX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 17211,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MIKRORKCMXNOCX-IATHEQPCSA-N,"InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44+,45-,46+,51+,52+,53+,54+,55+,59+,60-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,MIKRORKCMXNOCX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17212,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17213,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 17214,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 17215,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17216,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,7.5 17217,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17218,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 17219,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,7.5 17220,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VFVVDFLDUBZQGX-RRHNGELWSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49+,50-,52-,53-,54-,55-,56-,59-,60+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@@H]1c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@](c3ccc(O)c(O)c3)(O2)[C@@H]1O,C60H48O24,pos_1_1proton,1152.253552416,VFVVDFLDUBZQGX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 17221,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VFVVDFLDUBZQGX-RRHNGELWSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49+,50-,52-,53-,54-,55-,56-,59-,60+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@@H]1c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@](c3ccc(O)c(O)c3)(O2)[C@@H]1O,C60H48O24,pos_1_1proton,1152.253552416,VFVVDFLDUBZQGX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 17222,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17223,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 17224,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,7.5 17225,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17226,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,7.5 17227,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17228,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17229,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 17230,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,7.5 17231,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17232,1961,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17233,1960,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.26988792,ISDB,WTXNKMUAUXRDQM-CYLBZQBVSA-N,"InChI=1S/C13H20O/c1-10-7-8-11(2)13(3,4)12(10)6-5-9-14/h5-7,9,11-12H,8H2,1-4H3/b6-5+/t11-,12+/m0/s1",CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C=O,C13H20O,,192.15141526,WTXNKMUAUXRDQM,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Iris germanica,3998436.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris germanica'],4,0,5.079551696777344 17234,1959,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,pos_2_2proton,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17235,1958,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 17236,1958,659,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17237,1957,-1,,,,0.5258609,ISDB,MTYSFTYBAMMIGE-UHFFFAOYSA-N,"InChI=1S/C28H22O8/c29-18-9-17(10-19(30)12-18)27-26-15(3-1-14-2-5-21(32)23(34)7-14)8-20(31)13-25(26)36-28(27)16-4-6-22(33)24(35)11-16/h1-13,27-35H",Oc1cc(O)cc(C2c3c(C=Cc4ccc(O)c(O)c4)cc(O)cc3OC2c2ccc(O)c(O)c2)c1,C28H22O8,,486.131467664,MTYSFTYBAMMIGE,Shikimates and Phenylpropanoids,Stilbenoids,Oligomeric stibenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,0,8.103443622589111 17238,1956,-1,,,,0.0,MS1_match,IWFNDNSEUAIXJM-KVWRXITHSA-N,"InChI=1S/C32H40O18/c1-16(33)42-12-24-28(46-18(3)35)30(48-20(5)37)27(40)23(49-24)14-45-32(15-44-17(2)34)31(41)29(47-19(4)36)25(50-32)13-43-26(39)11-8-21-6-9-22(38)10-7-21/h6-11,23-25,27-31,38,40-41H,12-15H2,1-5H3/b11-8+/t23-,24-,25-,27+,28-,29+,30-,31-,32-/m1/s1",CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C32H40O18,pos_2_2sodium,712.2214644399999,IWFNDNSEUAIXJM,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 17239,1956,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17240,1956,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17241,1956,-1,,,,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1sodium,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 17242,1955,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.58254,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,3,9.830159902572632 17243,1954,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7990172,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,12.69606876373291 17244,1954,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7990172,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,12.69606876373291 17245,1953,-1,,,,0.81041,ISDB,WWVMDZBSOTYXPY-OUUBHVDSSA-N,"InChI=1S/C20H20O9/c21-8-16-17(24)18(25)19(26)20(29-16)27-13-4-10(3-12(23)6-13)14-5-9-1-2-11(22)7-15(9)28-14/h1-7,16-26H,8H2/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(-c3cc4ccc(O)cc4o3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H20O9,,404.11073222,WWVMDZBSOTYXPY,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],3,0,6.241640090942383 17246,1953,-1,,,,0.81041,ISDB,WWVMDZBSOTYXPY-PXTPFGJHSA-N,"InChI=1S/C20H20O9/c21-8-16-17(24)18(25)19(26)20(29-16)27-13-4-10(3-12(23)6-13)14-5-9-1-2-11(22)7-15(9)28-14/h1-7,16-26H,8H2/t16-,17+,18-,19+,20+/m0/s1",OC[C@@H]1O[C@@H](Oc2cc(O)cc(-c3cc4ccc(O)cc4o3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H20O9,,404.11073222,WWVMDZBSOTYXPY,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Morus insignis,868040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus insignis'],3,0,6.241640090942383 17247,1953,-1,,,,0.81041,ISDB,WWVMDZBSOTYXPY-OUUBHVDSSA-N,"InChI=1S/C20H20O9/c21-8-16-17(24)18(25)19(26)20(29-16)27-13-4-10(3-12(23)6-13)14-5-9-1-2-11(22)7-15(9)28-14/h1-7,16-26H,8H2/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(-c3cc4ccc(O)cc4o3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H20O9,,404.11073222,WWVMDZBSOTYXPY,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Schoenocaulon officinale,1079227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Schoenocaulon'],['Schoenocaulon officinale'],3,0,6.241640090942383 17248,1952,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,NYAPVWGUAUDHRY-QMYUBYRNSA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24-,26+/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H34O11,pos_3_3sodium,522.210111908,NYAPVWGUAUDHRY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 17249,1952,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,NYAPVWGUAUDHRY-QMYUBYRNSA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24-,26+/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H34O11,pos_3_3sodium,522.210111908,NYAPVWGUAUDHRY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 17250,1952,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,NYAPVWGUAUDHRY-QMYUBYRNSA-N,"InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24-,26+/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H34O11,pos_3_3sodium,522.210111908,NYAPVWGUAUDHRY,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,7.5 17251,1951,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7671292,ISDB,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.568516731262207 17252,1948,1251,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.2811635,ISDB,WQXKWXBSRXGYLX-VLIVSTDHSA-N,"InChI=1S/C13H14O6/c14-9-2-11-10(18-5-19-11)1-6(9)12-7-3-17-13(15)8(7)4-16-12/h1-2,7-8,12-15H,3-5H2/t7-,8-,12+,13-/m0/s1",Oc1cc2c(cc1[C@H]1OC[C@H]3[C@@H]1CO[C@@H]3O)OCO2,C13H14O6,,266.079038168,WQXKWXBSRXGYLX,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Sesamum indicum,504628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Pedaliaceae'],['Unknown'],['Sesamum'],['Sesamum indicum'],3,3,5.624654054641724 17253,1947,1760,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49845007,ISDB,GJWNAMOGOKAELX-UHFFFAOYSA-N,"InChI=1S/C13H12O5/c1-7-3-8(14)4-10(15)13(7)11-5-9(17-2)6-12(16)18-11/h3-6,14-15H,1-2H3",COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1,C13H12O5,,248.068473484,GJWNAMOGOKAELX,Polyketides,Cyclic polyketides,2-pyrone derivatives,Aloe kedongensis,3996873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe kedongensis'],3,0,4.9938002824783325 17254,1947,1760,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49845007,ISDB,GJWNAMOGOKAELX-UHFFFAOYSA-N,"InChI=1S/C13H12O5/c1-7-3-8(14)4-10(15)13(7)11-5-9(17-2)6-12(16)18-11/h3-6,14-15H,1-2H3",COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1,C13H12O5,,248.068473484,GJWNAMOGOKAELX,Polyketides,Cyclic polyketides,2-pyrone derivatives,Aloe nyeriensis,557157.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe nyeriensis'],3,0,4.9938002824783325 17255,1947,1760,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49845007,ISDB,GJWNAMOGOKAELX-UHFFFAOYSA-N,"InChI=1S/C13H12O5/c1-7-3-8(14)4-10(15)13(7)11-5-9(17-2)6-12(16)18-11/h3-6,14-15H,1-2H3",COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1,C13H12O5,,248.068473484,GJWNAMOGOKAELX,Polyketides,Cyclic polyketides,2-pyrone derivatives,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],3,0,4.9938002824783325 17256,1944,-1,,,,0.39730003,ISDB,VNLOLXSJMINBIS-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O20,,756.21129368,VNLOLXSJMINBIS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,10.589200139045715 17257,1941,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_1_1proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17258,1941,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_1_1proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17259,1941,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_1_1proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17260,1941,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1ethylamine,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17261,1941,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_1_1proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17262,1940,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.5880674,ISDB,CDRPUGZCRXZLFL-OWOJBTEDSA-N,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,C14H12O4,,244.073558864,CDRPUGZCRXZLFL,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,1,9.852269649505615 17263,1939,2361,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.64670706,ISDB,PERPNFLGJXUDDW-CUYWLFDKSA-N,"InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,,406.12638228399993,PERPNFLGJXUDDW,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.086828231811523 17264,1938,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.40556923,ISDB,DSXKRJBQUCPJOW-DMGFCEKXSA-N,"InChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h6-7,10-13,16-19,21H,4-5,8-9,14-15,20H2,1-3H3,(H,23,24)/b7-6+,11-10+,13-12+,17-16+,19-18+",CCC/C=C/CC/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C,C22H35NO,,329.27186474,DSXKRJBQUCPJOW,Fatty acids,Fatty amides,N-acyl amines,Heliopsis helianthoides var. scabra,275096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],4,0,5.6222769021987915 17265,1937,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1acetonitrile,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17266,1937,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,pos_1_1proton1ammonium,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17267,1937,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PHBLQXXYZFXKQX-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)27)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)26(5)6/h9,18,20-21H,1,7-8,10-15H2,2-6H3",C=C1C(N(C)C)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H37NO,pos_1_1proton1ammonium,367.287514804,PHBLQXXYZFXKQX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17268,1937,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PHBLQXXYZFXKQX-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)27)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)26(5)6/h9,18,20-21H,1,7-8,10-15H2,2-6H3",C=C1C(N(C)C)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H37NO,pos_1_1proton1ammonium,367.287514804,PHBLQXXYZFXKQX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17269,1937,1191,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZISLXYPNMCQAMV-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16(27)19-12-14-25(5)21-9-8-20-17(7-10-22(26-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h7,11-12,20-22,26H,8-10,13-15H2,1-6H3",CNC1CC=C2CC3=CCC4(C)C(C(C)=O)=CCC4(C)C3CCC2C1(C)C,C25H37NO,pos_1_1proton1ammonium,367.287514804,ZISLXYPNMCQAMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17270,1934,1666,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VNLOLXSJMINBIS-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_1sodium,756.21129368,VNLOLXSJMINBIS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17271,1934,1666,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VNLOLXSJMINBIS-UHFFFAOYSA-N,"InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O20,pos_1_1sodium,756.21129368,VNLOLXSJMINBIS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17272,1931,1359,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.79445493,ISDB,HNLDQOZYWMHPHS-KAPITKBASA-N,"InChI=1S/C27H26O12/c1-33-16-4-11-3-12-9-35-26(32)21(12)22(13(11)5-17(16)34-2)14-6-18-19(37-10-36-18)7-15(14)38-27-25(31)24(30)23(29)20(8-28)39-27/h3-7,20,23-25,27-31H,8-10H2,1-2H3/t20-,23-,24+,25-,27-/m1/s1",COc1cc2cc3c(c(-c4cc5c(cc4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OCO5)c2cc1OC)C(=O)OC3,C27H26O12,,542.1424262719999,HNLDQOZYWMHPHS,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Justicia procumbens,3883128.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Justicia'],['Justicia procumbens'],3,1,6.677819728851318 17273,1930,2841,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.7809447,ISDB,QLUPKRIWOVDUPU-PXNSSMCTSA-N,"InChI=1S/C21H16O7/c22-10-3-1-9(2-4-10)17-18-13(5-11(23)7-15(18)25)21(28)19-14(20(17)27)6-12(24)8-16(19)26/h1-8,17,20,22-27H/t17-,20-/m0/s1",O=C1c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H](O)c2cc(O)cc(O)c21,C21H16O7,,380.0896028519998,QLUPKRIWOVDUPU,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Shorea hemsleyana,5762106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Dipterocarpaceae'],['Unknown'],['Shorea'],['Shorea hemsleyana'],3,3,7.623778820037842 17274,1930,2841,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,0.7809447,ISDB,QLUPKRIWOVDUPU-XLIONFOSSA-N,"InChI=1S/C21H16O7/c22-10-3-1-9(2-4-10)17-18-13(5-11(23)7-15(18)25)21(28)19-14(20(17)27)6-12(24)8-16(19)26/h1-8,17,20,22-27H/t17-,20+/m1/s1",O=C1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H](O)c2cc(O)cc(O)c21,C21H16O7,,380.089602852,QLUPKRIWOVDUPU,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Hopea parviflora,75839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Dipterocarpaceae'],['Unknown'],['Hopea'],['Hopea parviflora'],3,3,7.623778820037842 17275,1929,2391,Carbohydrates,Polyols,Cyclitols,0.0,MS1_match,DYQWYDODKPTUPA-CUYQCCFGSA-N,"InChI=1S/C8H16O6/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h3-12H,1-2H3/t3-,4-,5-,6+,7-,8+/m1/s1",CO[C@@H]1[C@H](O)[C@@H](O)[C@H](OC)[C@@H](O)[C@H]1O,C8H16O6,pos_2MK,208.094688232,DYQWYDODKPTUPA,Carbohydrates,Polyols,Cyclitols,Pinus radiata,568644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus radiata'],6,3,7.5 17276,1928,-1,,,,0.24138054,ISDB,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.965522170066833 17277,1927,1329,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,XENHPQQLDPAYIJ-PEVLUNPASA-N,"InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/t15-,17-,18+,19-,21-/m1/s1",[O-]c1c(O)cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C21H20O12,pos_1_1proton,464.09547608,XENHPQQLDPAYIJ,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17278,1926,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.24014106,ISDB,DZMCQEFGZJWSSO-DVYJOKAKSA-N,"InChI=1S/C13H11NO4/c15-9-3-4-10-13-6-8(14(10)12(9)17)2-1-7(13)5-11(16)18-13/h1-2,5,8,10H,3-4,6H2/t8-,10+,13+/m1/s1",O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@@H]1CCC(=O)C(=O)N31,C13H11NO4,,245.068807832,DZMCQEFGZJWSSO,,,,Flueggea suffruticosa,351504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea suffruticosa'],3,0,3.9605642557144165 17279,1923,1643,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,0.80097955,ISDB,CJLFWRBPNXIPHA-UHFFFAOYSA-N,"InChI=1S/C14H10O4/c15-7-10-5-13-14(18-8-17-13)6-12(10)9-1-3-11(16)4-2-9/h1-7,16H,8H2",O=Cc1cc2c(cc1-c1ccc(O)cc1)OCO2,C14H10O4,,242.0579088,CJLFWRBPNXIPHA,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Crinum bulbispermum,639815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Unknown'],['Crinum'],['Crinum bulbispermum'],3,3,7.703918218612671 17280,1921,-1,,,,0.0,MS1_match,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,pos_1_1sodium,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 17281,1921,-1,,,,0.0,MS1_match,JJNMLNFZFGSWQR-WJZQQGDTSA-N,"InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1,C41H32O11,pos_2_2proton,700.1944618439999,JJNMLNFZFGSWQR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],6,0,6.0 17282,1921,-1,,,,0.0,MS1_match,JJNMLNFZFGSWQR-WJZQQGDTSA-N,"InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1,C41H32O11,pos_2_2proton,700.1944618439999,JJNMLNFZFGSWQR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],6,0,6.0 17283,1920,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rubus idaeus,156929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus idaeus'],6,1,6.5 17284,1920,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,1,6.5 17285,1920,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,1,6.5 17286,1920,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,1,6.5 17287,1920,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-UHFFFAOYSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)",O=C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1,C13H16O8,pos_1_1proton1ethylamine,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,1,6.5 17288,1919,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.4697559,ISDB,DAVDEZKGACPNHN-UHFFFAOYSA-N,"InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)",CCCCCCCCCc1cc[nH]n1,C12H22N2,,194.178298704,DAVDEZKGACPNHN,Alkaloids,,,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,1,6.379023551940918 17289,1918,-1,,,,0.66131556,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6452622413635254 17290,1916,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17291,1916,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17292,1916,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 17293,1916,1427,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 17294,1915,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AUCGRWHWAGXNQS-GIWSLNRASA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17-,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,AUCGRWHWAGXNQS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17295,1915,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17296,1915,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17297,1915,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-TUPRLDOISA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21+/m0/s1",C[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 17298,1915,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AUCGRWHWAGXNQS-GIWSLNRASA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-3-1-8(2-4-10)20-18(28)16(26)14-11(24)5-9(23)6-12(14)31-20/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17-,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,AUCGRWHWAGXNQS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17299,1915,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-TUPRLDOISA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21+/m0/s1",C[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 17300,1915,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 17301,1913,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.37988642,ISDB,TUOUAZDJHYHIRF-XJOGYUGASA-N,"InChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h4-7,9-10,16-17,19H,8,11-15,18H2,1-3H3,(H,21,22)/b5-4+,7-6-,10-9-,17-16+",C/C=C/C=C\C/C=C\CCCCC/C=C/C(=O)NCC(C)C,C20H33NO,,303.256214676,TUOUAZDJHYHIRF,Fatty acids,Fatty amides,N-acyl amines,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],4,0,5.519545674324036 17302,1906,-1,,,,0.0,MS1_match,XQDNFAMOIPNVES-UHFFFAOYSA-N,"InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3",COc1cc(O)cc(OC)c1,C8H10O3,pos_1_1proton,154.06299418,XQDNFAMOIPNVES,Polyketides,Phloroglucinols,Acyl phloroglucinols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 17303,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sabia japonica,8373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Sabiaceae'],['Unknown'],['Sabia'],['Sabia japonica'],3,0,6.000576972961426 17304,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eutrema japonicum,185264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema japonicum'],3,0,6.000576972961426 17305,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],3,0,6.000576972961426 17306,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hylocereus undatus,334881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Hylocereeae'],['Hylocereus'],['Hylocereus undatus'],3,0,6.000576972961426 17307,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],3,0,6.000576972961426 17308,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Buddleja asiatica,55258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja asiatica'],3,0,6.000576972961426 17309,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],3,0,6.000576972961426 17310,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-GQCTYLIASA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+",COc1ccc(/C=C/C(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Populus nigra,8848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus nigra'],3,0,6.000576972961426 17311,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rugelia nudicaulis,858586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Rugelia'],['Rugelia nudicaulis'],3,0,6.000576972961426 17312,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Verbesina gigantea,375588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina gigantea'],3,0,6.000576972961426 17313,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Zanthoxylum rhoifolium,924363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum rhoifolium'],3,0,6.000576972961426 17314,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sibiraea angustata,1004734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Sibiraea'],['Sibiraea angustata'],3,0,6.000576972961426 17315,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],3,0,6.000576972961426 17316,1905,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.75014424,ISDB,HJBWJAPEBGSQPR-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1OC,C11H12O4,,208.073558864,HJBWJAPEBGSQPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Selenicereus undatus,334881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Hylocereeae'],['Hylocereus'],['Hylocereus undatus'],3,0,6.000576972961426 17317,1904,-1,,,,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_2_2proton,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17318,1902,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 17319,1902,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 17320,1902,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 17321,1902,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,0,6.0 17322,1902,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 17323,1902,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 17324,1902,-1,,,,0.0,MS1_match,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,pos_1_1proton,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea torano,1091066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea torano'],6,0,6.0 17325,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,7.5 17326,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 17327,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17328,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 17329,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17330,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-LQNPQWRQSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cryptocarya obovata,706090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya obovata'],6,3,7.5 17331,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 17332,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,7.5 17333,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,7.5 17334,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 17335,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17336,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 17337,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 17338,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-LQNPQWRQSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cryptocarya obovata,706090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya obovata'],6,3,7.5 17339,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 17340,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,BYSRPHRKESMCPO-HMQYECKYSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H36O18,pos_1_1proton,864.1901643120002,BYSRPHRKESMCPO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,7.5 17341,1900,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,YNHIXLNNNNXLFF-YENJAGDHSA-N,"InChI=1S/C90H72O36/c91-33-19-49(106)59-57(21-33)120-80(28-2-8-37(94)44(101)14-28)75(115)66(59)62-52(109)25-53(110)63-67(76(116)81(122-85(62)63)29-3-9-38(95)45(102)15-29)64-54(111)26-55(112)65-69(78(118)82(123-86(64)65)30-4-10-39(96)46(103)16-30)72-74(114)71-68(61-51(108)24-42(99)35-23-56(113)79(121-84(35)61)27-1-7-36(93)43(100)13-27)77(117)83(31-5-11-40(97)47(104)17-31)124-87(71)73-70-60-50(107)20-34(92)22-58(60)125-90(89(70)119,126-88(72)73)32-6-12-41(98)48(105)18-32/h1-22,24-26,56,66-70,75-83,89,91-119H,23H2/t56-,66-,67-,68+,69-,70-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-,90+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C90H72O36,pos_2_2proton,1728.380328623999,YNHIXLNNNNXLFF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 17342,1899,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6605658,ISDB,,,,,,,VRUXWSSLYPFJSF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.642263174057007 17343,1898,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.36652526,ISDB,PEVJDMWZXLRJSP-LFPPQAFFSA-N,"InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,14-15,17-18,20H,3,6,9,12-13,16,19H2,1-2H3/b5-4-,8-7-,11-10-,15-14+/t17-,18+/m0/s1",CC/C=C\C/C=C\C/C=C\CC/C=C/C[C@@H](O)[C@H](C)N,C18H31NO,,277.240564612,PEVJDMWZXLRJSP,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma crucigaster,103242.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma crucigaster'],1,0,2.466101050376892 17344,1897,-1,,,,0.20190644,ISDB,GRWVBLRIPRGGPD-HOTGVXAUSA-N,"InChI=1S/C18H18N2O3/c21-14-8-6-13(7-9-14)11-16-18(23)19-15(17(22)20-16)10-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11H2,(H,19,23)(H,20,22)/t15-,16-/m0/s1",O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccccc1,C18H18N2O3,,310.131742436,GRWVBLRIPRGGPD,Amino acids and Peptides,Small peptides,Dipeptides,Portulaca oleracea,883494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Portulacaceae'],['Unknown'],['Portulaca'],['Portulaca oleracea'],3,0,3.8076257705688477 17345,1896,1640,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1isopropanol,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17346,1896,1640,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1isopropanol,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17347,1895,-1,,,,0.0,MS1_match,PYUKAYSOPGHAEP-BAGAXAAKSA-N,"InChI=1S/C27H46N2O2/c1-17(29(5)6)22-18(30)13-25(4)20-8-7-19-23(2)15-31-16-28-21(23)9-10-26(19)14-27(20,26)12-11-24(22,25)3/h17-22,28,30H,7-16H2,1-6H3/t17-,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C27H46N2O2,pos_2_2proton,430.355928712,PYUKAYSOPGHAEP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17348,1894,-1,,,,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_1_1proton,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],6,0,6.0 17349,1894,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_1_1proton,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phylica rogersii,5763124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Phyliceae'],['Phylica'],['Phylica rogersii'],6,0,6.0 17350,1894,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_1_1proton,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phylica rogersii,5763124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Phyliceae'],['Phylica'],['Phylica rogersii'],6,0,6.0 17351,1894,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_1_1proton,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Colubrina faralaotra,6108928.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Unknown'],['Colubrina'],['Colubrina faralaotra'],6,0,6.0 17352,1894,-1,,,,0.0,MS1_match,MZSUVQFIWWXTFR-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2/h8-10,14,21H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)NCC3,C20H23NO4,pos_1_1proton,341.162708216,MZSUVQFIWWXTFR,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Colubrina faralaotra,6108928.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Unknown'],['Colubrina'],['Colubrina faralaotra'],6,0,6.0 17353,1894,-1,,,,0.0,MS1_match,XUCRLUHFLBPVRO-UHFFFAOYSA-N,"InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3",COc1cc2ccnc(Cc3ccc(O)cc3)c2cc1O,C17H15NO3,pos_1_1proton1isopropanol,281.10519334,XUCRLUHFLBPVRO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ziziphus spina-christi,182545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus spina-christi'],6,0,6.0 17354,1894,-1,,,,0.0,MS1_match,XUCRLUHFLBPVRO-UHFFFAOYSA-N,"InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3",COc1cc2ccnc(Cc3ccc(O)cc3)c2cc1O,C17H15NO3,pos_1_1proton1isopropanol,281.10519334,XUCRLUHFLBPVRO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],6,0,6.0 17355,1892,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.37512016,ISDB,AFWKBSMFXWNGRE-ONEGZZNKSA-N,"InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C(C)=O)ccc1O,C11H12O3,,192.078644244,AFWKBSMFXWNGRE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Curcuma longa,168258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Curcuma'],['Curcuma longa'],4,3,7.000480651855469 17356,1892,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.37512016,ISDB,AFWKBSMFXWNGRE-ONEGZZNKSA-N,"InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C(C)=O)ccc1O,C11H12O3,,192.078644244,AFWKBSMFXWNGRE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fibraurea tinctoria,678311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Burasaieae'],['Fibraurea'],['Fibraurea tinctoria'],4,3,7.000480651855469 17357,1892,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.37512016,ISDB,AFWKBSMFXWNGRE-ONEGZZNKSA-N,"InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C(C)=O)ccc1O,C11H12O3,,192.078644244,AFWKBSMFXWNGRE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aframomum giganteum,3946706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Aframomum'],['Aframomum giganteum'],4,3,7.000480651855469 17358,1891,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17359,1890,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.45228812,ISDB,POWBIOMTXFDIOP-SGMGKIPOSA-N,"InChI=1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3/t14-,15+,16-,17+,18-,19+,20+,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@@]4(C)[C@@H]3CC[C@]12C,C21H35NO,,317.27186474,POWBIOMTXFDIOP,Terpenoids,Steroids,Pregnane steroids,Holarrhena pubescens,495827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena pubescens'],4,0,5.8091524839401245 17360,1887,3188,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NMVFWKLBYUMROT-GJKPXIFESA-N,"InChI=1S/C26H28O14/c1-9-18(30)21(33)23(35)26(37-9)39-16-7-15-17(12(28)6-14(38-15)10-2-4-11(27)5-3-10)20(32)24(16)40-25-22(34)19(31)13(29)8-36-25/h2-7,9,13,18-19,21-23,25-27,29-35H,8H2,1H3/t9-,13+,18-,19-,21+,22+,23+,25-,26-/m0/s1",C[C@@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C26H28O14,pos_1_1proton,564.1479055759997,NMVFWKLBYUMROT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triumfetta rhomboidea,82863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Triumfetta'],['Triumfetta rhomboidea'],6,3,7.5 17361,1887,3188,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NMVFWKLBYUMROT-GJKPXIFESA-N,"InChI=1S/C26H28O14/c1-9-18(30)21(33)23(35)26(37-9)39-16-7-15-17(12(28)6-14(38-15)10-2-4-11(27)5-3-10)20(32)24(16)40-25-22(34)19(31)13(29)8-36-25/h2-7,9,13,18-19,21-23,25-27,29-35H,8H2,1H3/t9-,13+,18-,19-,21+,22+,23+,25-,26-/m0/s1",C[C@@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C26H28O14,pos_1_1proton,564.1479055759997,NMVFWKLBYUMROT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triumfetta rhomboidea,82863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Triumfetta'],['Triumfetta rhomboidea'],6,3,7.5 17362,1887,3188,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NMVFWKLBYUMROT-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-18(30)21(33)23(35)26(37-9)39-16-7-15-17(12(28)6-14(38-15)10-2-4-11(27)5-3-10)20(32)24(16)40-25-22(34)19(31)13(29)8-36-25/h2-7,9,13,18-19,21-23,25-27,29-35H,8H2,1H3",CC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,C26H28O14,pos_1_1proton,564.147905576,NMVFWKLBYUMROT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Urena lobata,485925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Urena'],['Urena lobata'],6,3,7.5 17363,1887,3188,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,NMVFWKLBYUMROT-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-18(30)21(33)23(35)26(37-9)39-16-7-15-17(12(28)6-14(38-15)10-2-4-11(27)5-3-10)20(32)24(16)40-25-22(34)19(31)13(29)8-36-25/h2-7,9,13,18-19,21-23,25-27,29-35H,8H2,1H3",CC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC2OCC(O)C(O)C2O)C(O)C(O)C1O,C26H28O14,pos_1_1proton,564.147905576,NMVFWKLBYUMROT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Urena lobata,485925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Urena'],['Urena lobata'],6,3,7.5 17364,1886,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Berchemia formosana,6109318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia formosana'],7,0,7.0 17365,1883,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,AQRNEKDRSXYJIN-IRFILORWSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2/t16-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O10,pos_1_1proton,478.18389715999984,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,1,6.5 17366,1883,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,AQRNEKDRSXYJIN-IRFILORWSA-N,"InChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2/t16-,21+,22-,23+,24-/m0/s1",O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O10,pos_1_1proton,478.18389715999984,AQRNEKDRSXYJIN,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Pinus flexilis,799605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus flexilis'],6,1,6.5 17367,1882,3427,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.3928636,ISDB,LXYLAIPUYRMIPU-VGOFRKELSA-N,"InChI=1S/C24H26O8/c1-29-18-9-15(14-7-5-4-6-8-14)10-19(23(18)28)32-24-20(30-2)11-16(12-21(24)31-3)22(27)17(26)13-25/h4-12,17,22,25-28H,13H2,1-3H3/t17-,22-/m1/s1",COc1cc(-c2ccccc2)cc(Oc2c(OC)cc([C@@H](O)[C@H](O)CO)cc2OC)c1O,C24H26O8,,442.1627677919999,LXYLAIPUYRMIPU,Shikimates and Phenylpropanoids,Lignans,Neolignans,Berberis koreana,384640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Berberis'],['Berberis koreana'],3,3,6.071454405784607 17368,1881,238,Shikimates and Phenylpropanoids,Coumarins,Naphthalenes and derivatives,0.59508574,ISDB,WLZPYTDCBHITRF-UHFFFAOYSA-N,"InChI=1S/C11H10O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3",COc1cccc2c(O)cccc12,C11H10O2,,174.06807956,WLZPYTDCBHITRF,Polyketides,Naphthalenes,Naphthalenes and derivatives,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],3,3,6.880342960357666 17369,1879,-1,,,,0.35660022,ISDB,AFRKXLZOPFYDER-GMOODISLSA-N,"InChI=1S/C13H20O4/c1-8-5-11(15)17-13(8)6-10(9(2)14)16-7-12(13,3)4/h8,10H,5-7H2,1-4H3/t8-,10-,13+/m0/s1",CC(=O)[C@@H]1C[C@]2(OC(=O)C[C@@H]2C)C(C)(C)CO1,C13H20O4,,240.13615912,AFRKXLZOPFYDER,Terpenoids,,,Ficus microcarpa,2599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus microcarpa'],5,0,6.426400899887085 17370,1878,1460,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_2_2proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17371,1876,658,Alkaloids,Tyrosine alkaloids,Dipeptides,0.7081825,ISDB,SDRSIBWTLLBWIV-UHFFFAOYSA-N,"InChI=1S/C17H15N3O/c18-7-5-10-9-14(21)17-15-12(6-8-19-17)11-3-1-2-4-13(11)20-16(10)15/h1-4,6,8-9,20-21H,5,7,18H2",NCCc1cc(O)c2nccc3c2c1Nc1ccccc1-3,C17H15N3O,,277.1215121,SDRSIBWTLLBWIV,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Eusynstyela latericius,3646593.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Eusynstyela'],['Eusynstyela latericius'],1,1,4.332730054855347 17372,1875,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton1isopropanol,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,1,7.5 17373,1874,884,Alkaloids,Ornithine alkaloids,Polyamines,0.5309594,ISDB,NWNGYJFQCYGXHO-UHFFFAOYSA-N,"InChI=1S/C25H31N3O6/c26-12-1-2-14-28(25(34)11-7-19-5-9-21(30)23(32)17-19)15-3-13-27-24(33)10-6-18-4-8-20(29)22(31)16-18/h4-11,16-17,29-32H,1-3,12-15,26H2,(H,27,33)",NCCCCN(CCCNC(=O)C=Cc1ccc(O)c(O)c1)C(=O)C=Cc1ccc(O)c(O)c1,C25H31N3O6,,469.221285712,NWNGYJFQCYGXHO,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.62383770942688 17374,1872,-1,,,,0.48112535,ISDB,PXIKRTCSSLJURC-UHFFFAOYSA-N,"InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3",CCCc1ccc(O)c(OC)c1,C10H14O2,,166.099379688,PXIKRTCSSLJURC,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,6.924501419067383 17375,1871,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1sodium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17376,1871,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1sodium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17377,1871,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1sodium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17378,1871,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1sodium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17379,1871,2642,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1sodium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 17380,1870,-1,,,,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1proton1ammonium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 17381,1870,-1,,,,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1proton1ammonium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 17382,1870,-1,,,,0.0,MS1_match,QJVVGCSWIOLQDG-UHFFFAOYSA-N,"InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3",CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C21H32O11,pos_1_1proton1ammonium,460.1944618439998,QJVVGCSWIOLQDG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 17383,1870,-1,,,,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1proton1ammonium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 17384,1870,-1,,,,0.0,MS1_match,DJDISCKFJXDADJ-VZJZXBOMSA-N,"InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10-,13+,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C21H32O11,pos_1_1proton1ammonium,460.194461844,DJDISCKFJXDADJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 17385,1869,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,XBHWAKRDNVCHEC-APYVTPOUSA-N,"InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3/t16-,20+,21-,22+,23-,24+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H32O11,pos_1_1proton1ammonium,496.1944618439999,XBHWAKRDNVCHEC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,3,8.5 17386,1868,2518,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17387,1867,688,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7201578,ISDB,FVQOMEDMFUMIMO-UHFFFAOYSA-N,"InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(CO)C(O)C(O)C1O,C21H22O12,,466.111126144,FVQOMEDMFUMIMO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Hibiscus mutabilis,1092076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus mutabilis'],6,3,10.3806312084198 17388,1866,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6866894,ISDB,SRHDEHLQIMAWNV-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-1-6(2-8(17)3-7)15-14(21)13(20)12-10(19)4-9(18)5-11(12)22-15/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2cc(O)cc(O)c2)C1O,C15H12O7,,304.058302724,SRHDEHLQIMAWNV,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],4,3,8.246757507324219 17389,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentiana lutea,346679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana lutea'],4,1,7.003769159317017 17390,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis paludosa,862720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis paludosa'],4,1,7.003769159317017 17391,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis barbata,847893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis barbata'],4,1,7.003769159317017 17392,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis grandis,862719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis grandis'],4,1,7.003769159317017 17393,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianella serotina,861553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianella'],['Gentianella serotina'],4,1,7.003769159317017 17394,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis lanceolata,55136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis lanceolata'],4,1,7.003769159317017 17395,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis crinita,59843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis crinita'],4,1,7.003769159317017 17396,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis barbellata,3870577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis barbellata'],4,1,7.003769159317017 17397,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis thermalis,55132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis thermalis'],4,1,7.003769159317017 17398,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis simplex,3870574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis simplex'],4,1,7.003769159317017 17399,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianella campestris,483307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianella'],['Gentianella campestris'],4,1,7.003769159317017 17400,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis ciliata,335880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis ciliata'],4,1,7.003769159317017 17401,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentiana orbicularis,746887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana orbicularis'],4,1,7.003769159317017 17402,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Polygala cyparissias,762194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Polygala cyparissias'],4,1,7.003769159317017 17403,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Swertia petiolata,35627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Swertia'],['Swertia petiolata'],4,1,7.003769159317017 17404,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentianopsis detonsa,716288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentianopsis'],['Gentianopsis detonsa'],4,1,7.003769159317017 17405,1865,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6259423,ISDB,FVIYCYAHKMJVJK-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1,C14H10O5,,258.05282342000004,FVIYCYAHKMJVJK,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Gentiana asclepiadea,63907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana asclepiadea'],4,1,7.003769159317017 17406,1864,2779,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.0,MS1_match,PQWAATQIYOWJBY-UHFFFAOYSA-N,"InChI=1S/C13H10O4/c1-6-5-7-3-4-8(14)10-9(7)12(11(6)16-2)17-13(10)15/h3-5,14H,1-2H3",COc1c(C)cc2ccc(O)c3c2c1OC3=O,C13H10O4,pos_1_1proton,230.0579088,PQWAATQIYOWJBY,Polyketides,Naphthalenes,Naphthalenes and derivatives,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,3,7.5 17407,1863,1581,Polyketides,Chromanes,Chromones,0.82196736,ISDB,OZNMEZAXFKUCPN-UHFFFAOYSA-N,"InChI=1S/C9H6O5/c10-4-1-5(11)8-7(2-4)14-3-6(12)9(8)13/h1-3,10-12H",O=c1c(O)coc2cc(O)cc(O)c12,C9H6O5,,194.021523292,OZNMEZAXFKUCPN,Polyketides,Chromanes,Chromones,Ampelopsis cantoniensis,769612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Ampelopsideae'],['Nekemias'],['Nekemias cantoniensis'],4,3,8.787869453430176 17408,1862,-1,,,,0.0,MS1_match,XBHWAKRDNVCHEC-APYVTPOUSA-N,"InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3/t16-,20+,21-,22+,23-,24+/m1/s1",COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H32O11,pos_1_1sodium,496.1944618439999,XBHWAKRDNVCHEC,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 17409,1861,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17410,1861,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17411,1861,-1,,,,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17412,1860,3162,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,VBEKTMIFJPKWJA-PYIJOLGTSA-N,"InChI=1S/C20H32O4/c1-17(2,23)13-6-7-15-18(3)9-5-10-19(4,16(21)22)14(18)8-11-20(15,24)12-13/h12,14-15,23-24H,5-11H2,1-4H3,(H,21,22)/t14-,15-,18+,19+,20-/m1/s1",CC(C)(O)C1=C[C@]2(O)CC[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)O)[C@H]2CC1,C20H32O4,pos_2MFe,336.230059504,VBEKTMIFJPKWJA,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,3,7.5 17413,1860,3162,Terpenoids,Diterpenoids,Abietane diterpenoids,0.0,MS1_match,ZGBSZOWVGHOHGO-KQEADHDNSA-N,"InChI=1S/C20H32O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h12-14,16,24H,5-11H2,1-4H3,(H,22,23)/t13-,14-,16+,18+,19-,20+/m0/s1",CC(C)[C@@]1(O)CC[C@H]2[C@H](C1)C(=O)C[C@@H]1[C@]2(C)CCC[C@]1(C)C(=O)O,C20H32O4,pos_2MFe,336.230059504,ZGBSZOWVGHOHGO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,3,7.5 17414,1858,-1,,,,0.68183583,ISDB,PDLLMFWVNKVELC-PQZGBVCXSA-N,"InChI=1S/C16H24O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,9,12-17,19-21H,3,6-7H2,1-2H3/t9-,12+,13+,14-,15+,16+/m0/s1",CC1=CC(=O)C([C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC1,C16H24O7,,328.152203108,PDLLMFWVNKVELC,,,,Paeonia suffruticosa,137620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia suffruticosa'],5,0,7.727343320846558 17415,1855,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.32807145,ISDB,QRFZGLTZLZZHCM-VAFJUPRQSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60-,61-,62+,63+,64-,65+,66+,67-,68-,69-,70?,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,,1442.332590584,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.812285780906677 17416,1852,-1,,,,0.43070692,ISDB,ICUAPJINGJGHPQ-QNCBZKFCSA-N,"InChI=1S/C28H29NO7/c1-34-24-15-19(6-9-23(24)32)27-22(16-30)21-13-18(14-25(35-2)28(21)36-27)5-10-26(33)29-12-11-17-3-7-20(31)8-4-17/h3-10,13-15,22,27,30-32H,11-12,16H2,1-2H3,(H,29,33)/b10-5+/t22-,27-/m1/s1",COc1cc([C@H]2Oc3c(OC)cc(/C=C/C(=O)NCCc4ccc(O)cc4)cc3[C@H]2CO)ccc1O,C28H29NO7,,491.194402268,ICUAPJINGJGHPQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],4,0,5.722827672958374 17417,1850,-1,,,,0.33506876,ISDB,VLWGTVNAOQPEJO-UHFFFAOYSA-N,"InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-11(35)6-15(18)50-29(30)10-2-3-14(12(36)4-10)51-32-27(46)24(43)20(39)16(7-34)52-32/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(OC5OC(CO)C(O)C(O)C5O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C33H40O21,,772.2062083,VLWGTVNAOQPEJO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,10.340275049209595 17418,1847,-1,,,,0.0,MS1_match,GXMWXESSGGEWEM-NBVFXJDISA-N,"InChI=1S/C21H22O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-27,29-30H,6H2/t12-,16-,17-,18+,19-,20+,21+/m1/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,GXMWXESSGGEWEM,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,0,6.0 17419,1847,-1,,,,0.0,MS1_match,GLPUZQDAUPMCJE-FBRKSVJRSA-N,"InChI=1S/C21H22O12/c1-29-9-4-3-8-13(14(9)24)16(26)12-7(23)5-10(30-2)19(20(12)31-8)33-21-18(28)17(27)15(25)11(6-22)32-21/h3-5,11,15,17-18,21-25,27-28H,6H2,1-2H3/t11-,15-,17+,18-,21+/m1/s1",COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,GLPUZQDAUPMCJE,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Pterospermum lanceolatum,6116109.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Pterospermum'],['Pterospermum lanceolatum'],6,0,6.0 17420,1847,-1,,,,0.0,MS1_match,FVQOMEDMFUMIMO-UHFFFAOYSA-N,"InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(CO)C(O)C(O)C1O,C21H22O12,pos_1_1sodium,466.111126144,FVQOMEDMFUMIMO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Hibiscus mutabilis,1092076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus mutabilis'],6,0,6.0 17421,1847,-1,,,,0.0,MS1_match,FVQOMEDMFUMIMO-UHFFFAOYSA-N,"InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(CO)C(O)C(O)C1O,C21H22O12,pos_1_1sodium,466.111126144,FVQOMEDMFUMIMO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Hibiscus mutabilis,1092076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus mutabilis'],6,0,6.0 17422,1847,-1,,,,0.0,MS1_match,FVQOMEDMFUMIMO-UHFFFAOYSA-N,"InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OC(CO)C(O)C(O)C1O,C21H22O12,pos_1_1sodium,466.111126144,FVQOMEDMFUMIMO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Hibiscus mutabilis,1092076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus mutabilis'],6,0,6.0 17423,1845,-1,,,,0.49368522,ISDB,CZYPGTRKJFYXLT-SUHXYMONSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.2097179839999,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,0,6.9747408628463745 17424,1845,-1,,,,0.49368522,ISDB,CZYPGTRKJFYXLT-SUHXYMONSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.2097179839999,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,0,6.9747408628463745 17425,1844,-1,,,,0.0,MS1_match,WTWBUQJHJGUZCY-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3",CC(C)c1ccc(C=O)cc1,C10H12O,pos_1_1proton,148.088815004,WTWBUQJHJGUZCY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 17426,1843,328,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,0.91544074,ISDB,SAEZZWNICTYMTI-UHFFFAOYSA-N,"InChI=1S/C14H16O4/c1-8-3-5-13-7-10(16)17-11(13)12(2)9(15)4-6-14(8,12)18-13/h4,6,8,11H,3,5,7H2,1-2H3",CC1CCC23CC(=O)OC2C2(C)C(=O)C=CC12O3,C14H16O4,,248.104858992,SAEZZWNICTYMTI,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Parthenium hysterophorus,875356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium hysterophorus'],4,3,9.161762952804565 17427,1840,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6197743,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,7.979097127914429 17428,1840,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6197743,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,7.979097127914429 17429,1837,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1sodium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],6,0,6.0 17430,1837,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1sodium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],6,0,6.0 17431,1837,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1sodium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],6,0,6.0 17432,1837,-1,,,,0.0,MS1_match,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,pos_1_1sodium,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],6,0,6.0 17433,1836,426,Polyketides,Cyclic polyketides,Furans,0.37118936,ISDB,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,9.984757423400879 17434,1835,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6516081,ISDB,OISYIJRGMYJBRH-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-20-8-5-11-13(12(17)6-8)15(19)9-3-2-7(16)4-10(9)14(11)18/h2-6,16-17H,1H3",COc1cc(O)c2c(c1)C(=O)c1cc(O)ccc1C2=O,C15H10O5,,270.05282342,OISYIJRGMYJBRH,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,0,9.606432437896729 17435,1834,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,QBCOXVISDDNXBQ-SGERFESZSA-N,"InChI=1S/C53H82O22/c1-22-12-15-53(17-16-51(6)25-10-11-32-50(4,5)33(73-46-40(62)35(57)29(55)19-68-46)13-14-52(32,7)26(25)8-9-27(51)28(53)18-22)49(66)75-48-42(64)38(60)36(58)30(71-48)20-69-45-43(65)39(61)44(31(72-45)21-67-24(3)54)74-47-41(63)37(59)34(56)23(2)70-47/h9,23,25-26,28-48,55-65H,1,8,10-21H2,2-7H3/t23-,25+,26-,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,51-,52+,53-/m0/s1",C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](COC(C)=O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@H]3CC[C@H]3C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@@H]2C1,C53H82O22,pos_2_2sodium,1070.5297742640005,QBCOXVISDDNXBQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 17436,1833,-1,,,,0.0,MS1_match,WTWBUQJHJGUZCY-UHFFFAOYSA-N,"InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3",CC(C)c1ccc(C=O)cc1,C10H12O,pos_1_1proton1isopropanol,148.088815004,WTWBUQJHJGUZCY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 17437,1832,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.46595043,ISDB,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],6,3,9.363801717758179 17438,1832,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.46595043,ISDB,VSJGJMKGNMDJCI-ZASXJUAOSA-N,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21,C16H22O9,,358.126382284,VSJGJMKGNMDJCI,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],6,3,9.363801717758179 17439,1831,257,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.20678215,ISDB,PZOSJQZCHVKTQJ-ZJUUUORDSA-N,"InChI=1S/C10H12O4/c1-7(11)14-10-3-2-8(12)6-9(10)13-5-4-10/h2-3,9H,4-6H2,1H3/t9-,10+/m1/s1",CC(=O)O[C@]12C=CC(=O)C[C@H]1OCC2,C10H12O4,,196.073558864,PZOSJQZCHVKTQJ,,,,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,0,7.82712858915329 17440,1826,-1,,,,0.0,MS1_match,KJIWCKSQHHNTTL-QZYWKIOKSA-N,"InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-12-5-11(24)6-13-15(12)19(28)21(29,32-13)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2/t14-,16-,17+,18-,20-,21?/m0/s1",O=C1c2c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)cc2OC1(O)Cc1ccc(O)cc1,C21H22O11,pos_1_1sodium,450.116211524,KJIWCKSQHHNTTL,Shikimates and Phenylpropanoids,Flavonoids,Aurones,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,0,6.0 17441,1824,661,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.38984817,ISDB,YPBIZYVRZQWVOM-UHFFFAOYSA-N,"InChI=1S/C13H16O/c1-2-3-9-13(14)10-8-11-6-4-5-7-12(11)13/h2,4-7,14H,1,3,8-10H2",C=CCCC1(O)CCc2ccccc21,C13H16O,,188.120115132,YPBIZYVRZQWVOM,,,,Angelica gigas,941676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica gigas'],3,0,4.559392690658569 17442,1823,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7285959,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.41438364982605 17443,1823,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7285959,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.41438364982605 17444,1822,1804,Terpenoids,Apocarotenoids,Megastigmanes,0.5626503,ISDB,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,8.750601291656494 17445,1818,-1,,,,0.0,MS1_match,CKLJMWTZIZZHCS-REOHCLBHSA-N,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",N[C@@H](CC(=O)O)C(=O)O,C4H7NO4,pos_2MCa,133.037507704,CKLJMWTZIZZHCS,Amino acids and Peptides,Small peptides,Aminoacids,Abutilon indicum,851840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abutilon'],['Abutilon indicum'],6,0,6.0 17446,1818,-1,,,,0.0,MS1_match,CKLJMWTZIZZHCS-UWTATZPHSA-N,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",N[C@H](CC(=O)O)C(=O)O,C4H7NO4,pos_2MCa,133.037507704,CKLJMWTZIZZHCS,Amino acids and Peptides,Small peptides,Aminoacids,Corchorus aestuans,615658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus aestuans'],6,0,6.0 17447,1818,-1,,,,0.0,MS1_match,CKLJMWTZIZZHCS-UWTATZPHSA-N,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",N[C@H](CC(=O)O)C(=O)O,C4H7NO4,pos_2MCa,133.037507704,CKLJMWTZIZZHCS,Amino acids and Peptides,Small peptides,Aminoacids,Sida hermaphrodita,61566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sida'],['Sida hermaphrodita'],6,0,6.0 17448,1818,-1,,,,0.0,MS1_match,CKLJMWTZIZZHCS-REOHCLBHSA-N,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",N[C@@H](CC(=O)O)C(=O)O,C4H7NO4,pos_2MCa,133.037507704,CKLJMWTZIZZHCS,Amino acids and Peptides,Small peptides,Aminoacids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0 17449,1816,-1,,,,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17450,1814,-1,,,,0.6052593,ISDB,AIEKUSBFLBFTIU-MENSBAHOSA-N,"InChI=1S/C25H44N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23H,7-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1",CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1,C25H44N2O,,388.345364028,AIEKUSBFLBFTIU,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,8.421037197113037 17451,1813,3540,Amino acids and Peptides,Small peptides,Dipeptides,0.298499,ISDB,FQRLGZIGRMSTAX-OLZOCXBDSA-N,"InChI=1S/C16H24N4O3/c17-13(7-4-8-20-16(18)19)14(21)10-12(15(22)23)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,17H2,(H,22,23)(H4,18,19,20)/t12-,13+/m1/s1",N=C(N)NCCC[C@H](N)C(=O)C[C@@H](Cc1ccccc1)C(=O)O,C16H24N4O3,,320.184840628,FQRLGZIGRMSTAX,Amino acids and Peptides,Small peptides,Dipeptides,Chromobacterium violaceum,185977.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Neisseriales'],['Chromobacteriaceae'],['Unknown'],['Chromobacterium'],['Chromobacterium violaceum'],0,3,2.693995952606201 17452,1812,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28409097,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,3,11.636363863945007 17453,1811,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.45177576,ISDB,ZBJGGLXQNXXXRO-VCZRHBNQSA-N,"InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h7-12,15-17,19H,4-6,13-14H2,1-3H3/b8-7+,10-9+,12-11+/t15-,16+,17+/m0/s1",CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1C,C17H29NO,,263.224914548,ZBJGGLXQNXXXRO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],4,1,6.3071030378341675 17454,1810,-1,,,,0.0,MS1_match,KCQFLGUEZXYOER-KQBVCUEBSA-N,"InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2/t18-,22-,26-,27-/m1/s1",O=C(OC[C@H]1O[C@@H](O)[C@@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1ammonium,636.096263928,KCQFLGUEZXYOER,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,0,8.0 17455,1809,-1,,,,0.5568347,ISDB,JJZRURWGJILXRH-XTWCZFFVSA-N,"InChI=1S/C13H18O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11H,4-6H2,1-3H3/t8-,11-,13-/m1/s1",CC(=O)C1=C[C@@]2(C)[C@H](CCC(=O)[C@H]2C)C1,C13H18O2,,206.130679816,JJZRURWGJILXRH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Petasites japonicus,47000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites japonicus'],3,0,5.227338790893555 17456,1808,2658,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,VVZGWJFMILUWOO-HFVZKWEFSA-N,"InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(24-2)16(9)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3/t10-,12-,13+,14-,17+/m1/s1",COc1cc2oc(=O)ccc2c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H20O10,pos_1_1sodium,384.1056468399999,VVZGWJFMILUWOO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 17457,1807,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,pos_2_2proton1ammonium,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,8.5 17458,1807,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,pos_2_2proton1ammonium,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 17459,1807,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,pos_2_2proton1ammonium,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,3,8.5 17460,1807,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,pos_2_2proton1ammonium,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 17461,1804,-1,,,,0.60688657,ISDB,UZOATHPAXZHSRF-UHFFFAOYSA-N,"InChI=1S/C20H22O12/c1-29-13-6-9(21)2-3-12(13)31-20-18(27)17(26)16(25)14(32-20)7-30-19(28)8-4-10(22)15(24)11(23)5-8/h2-6,14,16-18,20-27H,7H2,1H3",COc1cc(O)ccc1OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O,C20H22O12,,454.111126144,UZOATHPAXZHSRF,Shikimates and Phenylpropanoids,,,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,0,6.427546262741089 17462,1804,-1,,,,0.60688657,ISDB,UZOATHPAXZHSRF-UVNCQSPWSA-N,"InChI=1S/C20H22O12/c1-29-13-6-9(21)2-3-12(13)31-20-18(27)17(26)16(25)14(32-20)7-30-19(28)8-4-10(22)15(24)11(23)5-8/h2-6,14,16-18,20-27H,7H2,1H3/t14-,16-,17+,18-,20-/m1/s1",COc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C20H22O12,,454.1111261439998,UZOATHPAXZHSRF,Shikimates and Phenylpropanoids,,,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],4,0,6.427546262741089 17463,1804,-1,,,,0.60688657,ISDB,UZOATHPAXZHSRF-UVNCQSPWSA-N,"InChI=1S/C20H22O12/c1-29-13-6-9(21)2-3-12(13)31-20-18(27)17(26)16(25)14(32-20)7-30-19(28)8-4-10(22)15(24)11(23)5-8/h2-6,14,16-18,20-27H,7H2,1H3/t14-,16-,17+,18-,20-/m1/s1",COc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C20H22O12,,454.1111261439998,UZOATHPAXZHSRF,Shikimates and Phenylpropanoids,,,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],4,0,6.427546262741089 17464,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,9.522943019866943 17465,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,9.522943019866943 17466,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea gardneri,6026631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea gardneri'],6,3,9.522943019866943 17467,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba canelilla,6025330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba canelilla'],6,3,9.522943019866943 17468,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,3,9.522943019866943 17469,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,3,9.522943019866943 17470,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,3,9.522943019866943 17471,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,3,9.522943019866943 17472,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,3,9.522943019866943 17473,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera sericea,5699254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera sericea'],6,3,9.522943019866943 17474,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,9.522943019866943 17475,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,9.522943019866943 17476,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,3,9.522943019866943 17477,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra membranacea,483595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra membranacea'],6,3,9.522943019866943 17478,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815199994,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,3,9.522943019866943 17479,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,3,9.522943019866943 17480,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Beilschmiedia alloiophylla,5699379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia alloiophylla'],6,3,9.522943019866943 17481,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea caesia,6027187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea caesia'],6,3,9.522943019866943 17482,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea lecardii,6026679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea lecardii'],6,3,9.522943019866943 17483,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,3,9.522943019866943 17484,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,3,9.522943019866943 17485,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea sericea,934728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea sericea'],6,3,9.522943019866943 17486,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea glaziovii,6027284.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea glaziovii'],6,3,9.522943019866943 17487,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,9.522943019866943 17488,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,3,9.522943019866943 17489,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,3,9.522943019866943 17490,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,3,9.522943019866943 17491,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra pichurim,5699186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra pichurim'],6,3,9.522943019866943 17492,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,3,9.522943019866943 17493,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,3,9.522943019866943 17494,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-CYBMUJFWSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.147058152,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,3,9.522943019866943 17495,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.14705815200006,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aniba muca,6025345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba muca'],6,3,9.522943019866943 17496,1802,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.50573575,ISDB,LINHZVMHXABQLB-CYBMUJFWSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1",COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C,C19H21NO4,,327.147058152,LINHZVMHXABQLB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Licaria triandra,971383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria triandra'],6,3,9.522943019866943 17497,1800,148,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,PBPNOAHYDPHKFH-UHFFFAOYSA-N,"InChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3",COc1cc2oc(=O)ccc2c(OC)c1O,C11H10O5,pos_1_1proton,222.05282342,PBPNOAHYDPHKFH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 17498,1799,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVZXIKHRPFCSKF-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(25-15-27)20-8-9-21-19-7-6-17-14-18(26(4)5)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@H](NC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C,C24H42N2O,pos_1_1proton,374.329713964,UVZXIKHRPFCSKF,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 17499,1799,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,pos_1_1proton,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 17500,1799,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,pos_1_1proton,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 17501,1798,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_1_1proton1ammonium,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17502,1798,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_1_1proton,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17503,1797,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.51128495,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.045139789581299 17504,1795,1359,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.24035206,ISDB,,,,,,,YOOCVTIYZNOVKI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.961408257484436 17505,1794,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26315346,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,8.552613854408264 17506,1794,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26315346,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.552613854408264 17507,1794,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26315346,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.552613854408264 17508,1794,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26315346,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,8.552613854408264 17509,1794,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26315346,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,8.552613854408264 17510,1794,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26315346,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,8.552613854408264 17511,1794,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26315346,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,8.552613854408264 17512,1793,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,8.5 17513,1793,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,8.5 17514,1793,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,8.5 17515,1793,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 17516,1793,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 17517,1793,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 17518,1793,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 17519,1791,3497,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.81498337,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.759933471679688 17520,1789,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.48475036,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],4,3,7.439001441001892 17521,1789,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.48475036,ISDB,XYWRZQQANNOTTD-SVFBPWRDSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3/t18-,19+,21-/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],4,3,7.439001441001892 17522,1789,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.48475036,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],4,3,7.439001441001892 17523,1789,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.48475036,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],4,3,7.439001441001892 17524,1789,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.48475036,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver glaucum,84040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver glaucum'],4,3,7.439001441001892 17525,1788,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29453164,ISDB,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.678126573562622 17526,1788,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29453164,ISDB,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,8.678126573562622 17527,1788,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29453164,ISDB,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.678126573562622 17528,1788,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29453164,ISDB,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,8.678126573562622 17529,1788,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29453164,ISDB,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,8.678126573562622 17530,1788,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29453164,ISDB,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.678126573562622 17531,1788,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29453164,ISDB,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.678126573562622 17532,1788,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29453164,ISDB,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.678126573562622 17533,1787,-1,,,,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_1_1proton1methanol,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17534,1787,-1,,,,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_1_1proton1methanol,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17535,1787,-1,,,,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_1_1proton1methanol,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17536,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Uncaria guianensis,1089068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria guianensis'],0,3,3.4809298515319824 17537,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cydonia,366142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Unknown'],0,3,3.4809298515319824 17538,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],0,3,3.4809298515319824 17539,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],0,3,3.4809298515319824 17540,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lens culinaris,156245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lens'],['Lens culinaris'],0,3,3.4809298515319824 17541,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Castanea,452591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Unknown'],0,3,3.4809298515319824 17542,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],0,3,3.4809298515319824 17543,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],0,3,3.4809298515319824 17544,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],0,3,3.4809298515319824 17545,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],0,3,3.4809298515319824 17546,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Mespilus germanica,941737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Mespilus'],['Mespilus germanica'],0,3,3.4809298515319824 17547,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],0,3,3.4809298515319824 17548,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lactuca sativa,515700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca sativa'],0,3,3.4809298515319824 17549,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],0,3,3.4809298515319824 17550,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla fruticosa,782136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Dasiphora'],['Dasiphora fruticosa'],0,3,3.4809298515319824 17551,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Dasiphora fruticosa,782136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Dasiphora'],['Dasiphora fruticosa'],0,3,3.4809298515319824 17552,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],0,3,3.4809298515319824 17553,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],0,3,3.4809298515319824 17554,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Scurrula atropurpurea,596144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Santalales'],['Loranthaceae'],['Lorantheae'],['Scurrula'],['Scurrula atropurpurea'],0,3,3.4809298515319824 17555,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Garcinia mangostana,766177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia mangostana'],0,3,3.4809298515319824 17556,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Limoniastrum guyonianum,166730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Plumbaginaceae'],['Unknown'],['Limoniastrum'],['Limoniastrum guyonianum'],0,3,3.4809298515319824 17557,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-NQIIRXRSSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959999,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Paeonia lactiflora,352877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia lactiflora'],0,3,3.4809298515319824 17558,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Quercus robur,239659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus robur'],0,3,3.4809298515319824 17559,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],0,3,3.4809298515319824 17560,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],0,3,3.4809298515319824 17561,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Uncaria tomentosa,204985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Naucleeae'],['Uncaria'],['Uncaria tomentosa'],0,3,3.4809298515319824 17562,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Chrysophyllum marginatum,3901133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sapotaceae'],['Unknown'],['Chrysophyllum'],['Chrysophyllum marginatum'],0,3,3.4809298515319824 17563,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],0,3,3.4809298515319824 17564,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],0,3,3.4809298515319824 17565,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],0,3,3.4809298515319824 17566,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],0,3,3.4809298515319824 17567,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Alhagi sparsifolia,708291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi sparsifolia'],0,3,3.4809298515319824 17568,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Coffea,227658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Coffeeae'],['Coffea'],['Unknown'],0,3,3.4809298515319824 17569,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Parkia biglobosa,1012941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Parkia'],['Parkia biglobosa'],0,3,3.4809298515319824 17570,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],0,3,3.4809298515319824 17571,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Platycarya strobilacea,264610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Platycarya'],['Platycarya strobilacea'],0,3,3.4809298515319824 17572,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola kirilowii,311039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola kirilowii'],0,3,3.4809298515319824 17573,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-UHFFFAOYSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2",O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Averrhoa,721421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Unknown'],0,3,3.4809298515319824 17574,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Averrhoa carambola,760798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa carambola'],0,3,3.4809298515319824 17575,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-UHFFFAOYSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2",O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Acacia pycnantha,39866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia pycnantha'],0,3,3.4809298515319824 17576,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-NQIIRXRSSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959999,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Senegalia polyacantha,977178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia polyacantha'],0,3,3.4809298515319824 17577,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Senegalia catechu,112124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia catechu'],0,3,3.4809298515319824 17578,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Parapiptadenia rigida,328594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Parapiptadenia'],['Parapiptadenia rigida'],0,3,3.4809298515319824 17579,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Mentha piperita piperita,6082512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Mentha x piperita'],0,3,3.4809298515319824 17580,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],0,3,3.4809298515319824 17581,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hemerocallis fulva,62294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Hemerocallis'],['Hemerocallis fulva'],0,3,3.4809298515319824 17582,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],0,3,3.4809298515319824 17583,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],0,3,3.4809298515319824 17584,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cicer arietinum,612429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer arietinum'],0,3,3.4809298515319824 17585,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ficus carica,658505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus carica'],0,3,3.4809298515319824 17586,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],0,3,3.4809298515319824 17587,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],0,3,3.4809298515319824 17588,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Annona reticulata,94924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona reticulata'],0,3,3.4809298515319824 17589,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],0,3,3.4809298515319824 17590,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],0,3,3.4809298515319824 17591,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],0,3,3.4809298515319824 17592,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],0,3,3.4809298515319824 17593,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hamamelis virginiana,60713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Hamamelis'],['Hamamelis virginiana'],0,3,3.4809298515319824 17594,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],0,3,3.4809298515319824 17595,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],0,3,3.4809298515319824 17596,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],0,3,3.4809298515319824 17597,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Macadamia,575524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Macadamia'],['Unknown'],0,3,3.4809298515319824 17598,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Actinidia chinensis,279981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia chinensis'],0,3,3.4809298515319824 17599,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Musa,207473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Musaceae'],['Unknown'],['Musa'],['Unknown'],0,3,3.4809298515319824 17600,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Corylus,424333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Unknown'],0,3,3.4809298515319824 17601,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Bertholletia excelsa,429489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Bertholletia'],['Bertholletia excelsa'],0,3,3.4809298515319824 17602,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Limonium gmelinii,387499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Plumbaginaceae'],['Unknown'],['Limonium'],['Limonium gmelinii'],0,3,3.4809298515319824 17603,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Fagopyrum megacarpum,144826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Fagopyreae'],['Fagopyrum'],['Fagopyrum megacarpum'],0,3,3.4809298515319824 17604,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eugenia myrcianthes,9525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Eugenia'],['Eugenia myrcianthes'],0,3,3.4809298515319824 17605,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Camellia crassicolumna,5264064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia crassicolumna'],0,3,3.4809298515319824 17606,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Camellia crassicolumna var. multiplex,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,3,3.4809298515319824 17607,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Limonium sinense,244739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Plumbaginaceae'],['Unknown'],['Limonium'],['Limonium sinense'],0,3,3.4809298515319824 17608,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Camellia irrawadiensis,928018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia irrawadiensis'],0,3,3.4809298515319824 17609,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Carya illinoinensis,259040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Carya'],['Carya illinoinensis'],0,3,3.4809298515319824 17610,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Camellia taliensis,837821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia taliensis'],0,3,3.4809298515319824 17611,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sedum sediforme,595187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sediforme'],0,3,3.4809298515319824 17612,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sedum crassularia,595187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sediforme'],0,3,3.4809298515319824 17613,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Phyllanthus emblica,399352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus emblica'],0,3,3.4809298515319824 17614,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Oryza aristata,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],0,3,3.4809298515319824 17615,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],0,3,3.4809298515319824 17616,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola crenulata,1024602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola crenulata'],0,3,3.4809298515319824 17617,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],0,3,3.4809298515319824 17618,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],0,3,3.4809298515319824 17619,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],0,3,3.4809298515319824 17620,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sideroxylon inerme,1077721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sapotaceae'],['Unknown'],['Sideroxylon'],['Sideroxylon inerme'],0,3,3.4809298515319824 17621,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-GHTZIAJQSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1",O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959999,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ceratonia siliqua,389028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Ceratonia'],['Ceratonia siliqua'],0,3,3.4809298515319824 17622,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-UHFFFAOYSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2",O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cistus salviifolius,752027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus salviifolius'],0,3,3.4809298515319824 17623,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Stryphnodendron adstringens,386248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Stryphnodendron'],['Stryphnodendron adstringens'],0,3,3.4809298515319824 17624,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Anacardium occidentale,999426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Anacardium'],['Anacardium occidentale'],0,3,3.4809298515319824 17625,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pistacia vera,200787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pistacia'],['Pistacia vera'],0,3,3.4809298515319824 17626,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],0,3,3.4809298515319824 17627,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Syzygium samarangense,379996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium samarangense'],0,3,3.4809298515319824 17628,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Syzygium aqueum,200280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium aqueum'],0,3,3.4809298515319824 17629,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola heterodonta,762829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola heterodonta'],0,3,3.4809298515319824 17630,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pteroxygonum giraldii,547174.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Pteroxygoneae'],['Pteroxygonum'],['Pteroxygonum giraldii'],0,3,3.4809298515319824 17631,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],0,3,3.4809298515319824 17632,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Phyllanthus niruri,399363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus niruri'],0,3,3.4809298515319824 17633,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],0,3,3.4809298515319824 17634,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Coccoloba mollis,124025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Coccolobeae'],['Coccoloba'],['Coccoloba mollis'],0,3,3.4809298515319824 17635,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla tormentilla,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],0,3,3.4809298515319824 17636,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],0,3,3.4809298515319824 17637,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Diospyros kaki,352883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros kaki'],0,3,3.4809298515319824 17638,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-UHFFFAOYSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2",O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Distylium racemosum,615343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Distylium'],['Distylium racemosum'],0,3,3.4809298515319824 17639,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Archidendron jiringa,3919243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Archidendron'],['Archidendron jiringa'],0,3,3.4809298515319824 17640,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Plinia edulis,3936437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Eugenia'],['Eugenia selloi'],0,3,3.4809298515319824 17641,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Myrtus communis,475714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Myrtus'],['Myrtus communis'],0,3,3.4809298515319824 17642,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sclerocarya birrea,456294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Sclerocarya'],['Sclerocarya birrea'],0,3,3.4809298515319824 17643,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],0,3,3.4809298515319824 17644,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],0,3,3.4809298515319824 17645,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola semenovii,668902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola semenovii'],0,3,3.4809298515319824 17646,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],0,3,3.4809298515319824 17647,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Terminalia catappa,489597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Terminalia'],['Terminalia catappa'],0,3,3.4809298515319824 17648,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sempervivum tectorum,286742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum tectorum'],0,3,3.4809298515319824 17649,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola sacra,311049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sacra'],0,3,3.4809298515319824 17650,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinus,771683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Unknown'],0,3,3.4809298515319824 17651,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Juglans regia,138717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Juglans'],['Juglans regia'],0,3,3.4809298515319824 17652,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],0,3,3.4809298515319824 17653,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],0,3,3.4809298515319824 17654,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eschweilera coriacea,858173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Lecythidaceae'],['Unknown'],['Eschweilera'],['Eschweilera coriacea'],0,3,3.4809298515319824 17655,1785,2327,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.49523246,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],0,3,3.4809298515319824 17656,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 17657,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 17658,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 17659,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 17660,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 17661,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 17662,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 17663,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,9.5 17664,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,9.5 17665,1784,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 17666,1780,104,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17667,1779,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1sodium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 17668,1779,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1sodium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 17669,1779,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1sodium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 17670,1779,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1sodium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 17671,1779,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1sodium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 17672,1779,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1sodium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 17673,1779,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1sodium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 17674,1777,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.28946662,ISDB,QDWGYCCSJIYJAE-KSRPJAAHSA-N,"InChI=1S/C24H30O10/c1-31-19-9-13(4-5-18(19)33-24-21(30)20(29)17(28)11-32-24)22-15(10-26)14-7-12(3-2-6-25)8-16(27)23(14)34-22/h4-5,7-9,15,17,20-22,24-30H,2-3,6,10-11H2,1H3/t15-,17-,20+,21-,22+,24-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C24H30O10,,478.18389716,QDWGYCCSJIYJAE,Shikimates and Phenylpropanoids,Lignans,Neolignans,Quercus macrocarpa,37377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus macrocarpa'],4,1,5.657866477966309 17675,1776,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.86272573,ISDB,YHDXKMHPOOQARK-NHYAYHNCSA-N,"InChI=1S/C21H26O12/c1-8-14(23)16(25)18(27)20(30-8)29-7-12-15(24)17(26)19(28)21(33-12)31-10-4-2-9-3-5-13(22)32-11(9)6-10/h2-6,8,12,14-21,23-28H,7H2,1H3/t8-,12+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc4ccc(=O)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C21H26O12,,470.142426272,YHDXKMHPOOQARK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Morus nigra,299656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus nigra'],4,1,7.950902938842773 17676,1775,271,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2003735,ISDB,CTGMCYNSUYQXFH-FVOPLDGLSA-N,"InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-13(17)23-12(15(19)20)8-14(18)22-2/h3-7,12,16H,8H2,1-2H3,(H,19,20)/b6-4+/t12-/m1/s1",COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)O,C15H16O8,,324.084517472,CTGMCYNSUYQXFH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,3,6.301494002342224 17677,1774,-1,,,,0.43706208,ISDB,XEJNHBMJNYJKBH-VNQPRFMTSA-N,"InChI=1S/C16H27NO3/c1-3-4-5-6-7-10-16(20)13(2)14(19)17-11-8-9-15(16,17)12-18/h3-4,13,18,20H,5-12H2,1-2H3/t13-,15+,16-/m1/s1",CC=CCCCC[C@@]1(O)[C@H](C)C(=O)N2CCC[C@@]21CO,C16H27NO3,,281.199093724,XEJNHBMJNYJKBH,Alkaloids,,,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,2.748248338699341 17678,1773,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17679,1772,884,Alkaloids,Ornithine alkaloids,Polyamines,0.5097818,ISDB,NWNGYJFQCYGXHO-UHFFFAOYSA-N,"InChI=1S/C25H31N3O6/c26-12-1-2-14-28(25(34)11-7-19-5-9-21(30)23(32)17-19)15-3-13-27-24(33)10-6-18-4-8-20(29)22(31)16-18/h4-11,16-17,29-32H,1-3,12-15,26H2,(H,27,33)",NCCCCN(CCCNC(=O)C=Cc1ccc(O)c(O)c1)C(=O)C=Cc1ccc(O)c(O)c1,C25H31N3O6,,469.221285712,NWNGYJFQCYGXHO,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.5391271114349365 17680,1771,220,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,AIEKUSBFLBFTIU-MENSBAHOSA-N,"InChI=1S/C25H44N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23H,7-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1",CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1,C25H44N2O,pos_2_2proton,388.345364028,AIEKUSBFLBFTIU,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,7.5 17681,1771,220,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,WRFQFEGHCJALCO-MENSBAHOSA-N,"InChI=1S/C25H44N2O/c1-16(27(6)17(2)28)21-9-10-22-20-8-7-18-15-19(26-5)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23,26H,7-15H2,1-6H3/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1",CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C(C)=O)CC[C@@H]32)C1,C25H44N2O,pos_2_2proton,388.345364028,WRFQFEGHCJALCO,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,7.5 17682,1770,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17683,1770,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-KEKZHRQWSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15?/m1/s1",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17684,1770,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17685,1770,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17686,1770,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17687,1769,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_1_1proton1methanol,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17688,1767,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_1_1proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17689,1767,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_1_1proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17690,1767,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1ethylamine,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17691,1767,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_1_1proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17692,1767,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_1_1proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17693,1766,-1,,,,0.85811585,ISDB,JKVXXCFZUSFYRI-VRIHOGIYSA-N,"InChI=1S/C25H39NO/c1-7-17-20(27)14-23(4)21-9-8-18-16(2)19(26(5)6)10-11-24(18)15-25(21,24)13-12-22(17,23)3/h7,16,18-19,21H,8-15H2,1-6H3/b17-7-/t16-,18-,19-,21-,22+,23-,24+,25-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C25H39NO,,369.30316486800007,JKVXXCFZUSFYRI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],7,0,10.43246340751648 17694,1765,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17695,1765,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 17696,1765,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 17697,1763,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 17698,1763,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 17699,1762,2301,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CBOQJANXLMLOSS-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3",CCOc1cc(C=O)ccc1O,C9H10O3,pos_1_1proton1methanol,166.06299418,CBOQJANXLMLOSS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 17700,1761,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17701,1761,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17702,1761,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17703,1761,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17704,1760,49,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 17705,1760,49,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 17706,1759,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.575426,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,3,10.801703929901123 17707,1759,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.575426,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula,267715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Unknown'],7,3,10.801703929901123 17708,1759,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.575426,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,3,10.801703929901123 17709,1759,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.575426,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,3,10.801703929901123 17710,1758,60,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_2MNa,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17711,1758,60,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_2MNa,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17712,1758,60,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_2MNa,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17713,1758,60,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_2MNa,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17714,1757,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17715,1757,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17716,1757,-1,,,,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17717,1757,-1,,,,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17718,1756,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,2,9.0 17719,1756,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 17720,1756,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,2,9.0 17721,1754,328,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,0.92198104,ISDB,SAEZZWNICTYMTI-UHFFFAOYSA-N,"InChI=1S/C14H16O4/c1-8-3-5-13-7-10(16)17-11(13)12(2)9(15)4-6-14(8,12)18-13/h4,6,8,11H,3,5,7H2,1-2H3",CC1CCC23CC(=O)OC2C2(C)C(=O)C=CC12O3,C14H16O4,,248.104858992,SAEZZWNICTYMTI,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Parthenium hysterophorus,875356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium hysterophorus'],4,3,9.187924146652222 17722,1753,729,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XCXWMHRRISFUFF-XNGPZLSTSA-N,"InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)43-6-20(54)45(67,79-44(43)42(66)76-35-18(53)7-71-47(35,44)69)46(68)34(43)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18-,19+,30+,32-,33+,34+,35+,40-,43-,44+,45+,46+,47-/m0/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c4c1[C@H]1[C@@](O)(O4)[C@]4(O)O[C@]5(C(=O)O[C@@H]6[C@@H](O)CO[C@@]65O)[C@]1(CC4=O)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1,C47H34O32,pos_1_1proton1ammonium,1110.1033189280004,XCXWMHRRISFUFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,9.5 17723,1753,729,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XCXWMHRRISFUFF-XNGPZLSTSA-N,"InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)43-6-20(54)45(67,79-44(43)42(66)76-35-18(53)7-71-47(35,44)69)46(68)34(43)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18-,19+,30+,32-,33+,34+,35+,40-,43-,44+,45+,46+,47-/m0/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c4c1[C@H]1[C@@](O)(O4)[C@]4(O)O[C@]5(C(=O)O[C@@H]6[C@@H](O)CO[C@@]65O)[C@]1(CC4=O)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1,C47H34O32,pos_1_1proton1ammonium,1110.1033189280004,XCXWMHRRISFUFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,9.5 17724,1752,714,Polyketides,Naphthalenes,Naphthalenes and derivatives,0.70336527,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,3,8.313461065292358 17725,1751,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.47894037,ISDB,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],7,3,10.415761470794678 17726,1751,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.47894037,ISDB,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],7,3,10.415761470794678 17727,1749,3267,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6277602,ISDB,PFNUDHMNMHMVIV-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c1-17-8-4-5-9-10-7-11(16)14(18-2)15(19-3)13(10)20-12(9)6-8/h4-7,16H,1-3H3",COc1ccc2c(c1)oc1c(OC)c(OC)c(O)cc12,C15H14O5,,274.084123548,PFNUDHMNMHMVIV,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Cotoneaster acutifolius,103228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster acutifolius'],5,1,8.011040687561035 17728,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum tenuifolium,5699220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tenuifolium'],6,3,10.374313354492188 17729,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Abutilon theophrasti,854500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abutilon'],['Abutilon theophrasti'],6,3,10.374313354492188 17730,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Aiouea hammeliana,6025712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea hammeliana'],6,3,10.374313354492188 17731,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Aiouea tonduzii,6025853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea tonduzii'],6,3,10.374313354492188 17732,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Aiouea montana,161940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea montana'],6,3,10.374313354492188 17733,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum triplinerve,716865.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum triplinerve'],6,3,10.374313354492188 17734,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,3,10.374313354492188 17735,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Theobroma grandiflorum,654082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma grandiflorum'],6,3,10.374313354492188 17736,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum subavenium,17156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum subavenium'],6,3,10.374313354492188 17737,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cola acuminata,1053097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Cola'],['Cola acuminata'],6,3,10.374313354492188 17738,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cola nitida,550770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Cola'],['Cola nitida'],6,3,10.374313354492188 17739,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,3,10.374313354492188 17740,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Aniba riparia,6025354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba riparia'],6,3,10.374313354492188 17741,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,10.374313354492188 17742,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,10.374313354492188 17743,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,10.374313354492188 17744,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,10.374313354492188 17745,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Litsea rotundifolia,1052061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea rotundifolia'],6,3,10.374313354492188 17746,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,10.374313354492188 17747,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,3,10.374313354492188 17748,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Luehea candicans,5785016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Luehea'],['Luehea candicans'],6,3,10.374313354492188 17749,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ceiba pentandra,987976.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Ceiba'],['Ceiba pentandra'],6,3,10.374313354492188 17750,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ceiba,187581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Ceiba'],['Unknown'],6,3,10.374313354492188 17751,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,10.374313354492188 17752,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Waltheria indica,1039214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Waltheria'],['Waltheria indica'],6,3,10.374313354492188 17753,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,10.374313354492188 17754,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Guazuma ulmifolia,526994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Guazuma'],['Guazuma ulmifolia'],6,3,10.374313354492188 17755,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,3,10.374313354492188 17756,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Litsea szemaois,5699397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea szemaois'],6,3,10.374313354492188 17757,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,3,10.374313354492188 17758,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ocotea holdridgeiana,6027302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea holdridgeiana'],6,3,10.374313354492188 17759,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sterculia foetida,298691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia foetida'],6,3,10.374313354492188 17760,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Kydia glabrescens,6117663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Kydia'],['Kydia glabrescens'],6,3,10.374313354492188 17761,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ocotea porosa,5919678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea porosa'],6,3,10.374313354492188 17762,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,3,10.374313354492188 17763,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],6,3,10.374313354492188 17764,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Melochia chamaedrys,6115751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Melochia'],['Melochia chamaedrys'],6,3,10.374313354492188 17765,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cryptocarya obovata,706090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya obovata'],6,3,10.374313354492188 17766,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-HIFRSBDPSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum kotoense,5919653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum kotoense'],6,3,10.374313354492188 17767,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sida cordata,687828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sida'],['Sida cordata'],6,3,10.374313354492188 17768,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sida veronicaefolia,7639315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sida'],['Sida veronicaefolia'],6,3,10.374313354492188 17769,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sida cordifolia,1042126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sida'],['Sida cordifolia'],6,3,10.374313354492188 17770,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,10.374313354492188 17771,1745,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.71857834,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,10.374313354492188 17772,1744,-1,,,,0.0,MS1_match,PCRPRSKMNFYFSI-UHFFFAOYSA-N,"InChI=1S/C19H18O6/c1-9-14(21)13-15(22)19(24-4)18(11-5-7-12(20)8-6-11)25-17(13)10(2)16(9)23-3/h5-8,20-21H,1-4H3",COc1c(C)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1C,C19H18O6,pos_1_1sodium,342.110338296,PCRPRSKMNFYFSI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 17773,1741,1251,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.2905628,ISDB,WQXKWXBSRXGYLX-VLIVSTDHSA-N,"InChI=1S/C13H14O6/c14-9-2-11-10(18-5-19-11)1-6(9)12-7-3-17-13(15)8(7)4-16-12/h1-2,7-8,12-15H,3-5H2/t7-,8-,12+,13-/m0/s1",Oc1cc2c(cc1[C@H]1OC[C@H]3[C@@H]1CO[C@@H]3O)OCO2,C13H14O6,,266.079038168,WQXKWXBSRXGYLX,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Sesamum indicum,504628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Pedaliaceae'],['Unknown'],['Sesamum'],['Sesamum indicum'],3,3,5.662251234054565 17774,1740,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],7,0,7.0 17775,1740,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],7,0,7.0 17776,1738,-1,,,,0.5280062,ISDB,RZGFUGXQKMEMOO-BSANDHCLSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10-/m1/s1",O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,6.112024784088135 17777,1738,-1,,,,0.5280062,ISDB,RZGFUGXQKMEMOO-SLHCBHIOSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10-/m0/s1",O=C(O)C[C@@H]1CCC(=O)[C@H]1C/C=C\CCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Salvia officinalis,820645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia officinalis'],4,0,6.112024784088135 17778,1738,-1,,,,0.5280062,ISDB,RZGFUGXQKMEMOO-BSANDHCLSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10-/m1/s1",O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Origanum vulgare,305918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum vulgare'],4,0,6.112024784088135 17779,1738,-1,,,,0.5280062,ISDB,RZGFUGXQKMEMOO-BSANDHCLSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10-/m1/s1",O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,0,6.112024784088135 17780,1738,-1,,,,0.5280062,ISDB,RZGFUGXQKMEMOO-SZXTZRQCSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10+/m1/s1",O=C(O)C[C@H]1CCC(=O)[C@H]1C/C=C\CCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,6.112024784088135 17781,1738,-1,,,,0.5280062,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,0,6.112024784088135 17782,1738,-1,,,,0.5280062,ISDB,RZGFUGXQKMEMOO-UHFFFAOYSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)",O=C(O)CC1CCC(=O)C1CC=CCCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Solanum demissum,66505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum demissum'],4,0,6.112024784088135 17783,1738,-1,,,,0.5280062,ISDB,RZGFUGXQKMEMOO-BSANDHCLSA-N,"InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10-/m1/s1",O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO,C12H18O4,,226.120509056,RZGFUGXQKMEMOO,Fatty acids,Octadecanoids,Jasmonic acids,Samanea saman,930721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Samanea'],['Samanea saman'],4,0,6.112024784088135 17784,1737,1599,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.0,MS1_match,IDONYWHRKBUDOR-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,IDONYWHRKBUDOR,,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 17785,1737,1599,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.0,MS1_match,IDONYWHRKBUDOR-OXGONZEZSA-N,"InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14-,15-,16-/m1/s1",CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,C16H22O7,pos_1_1proton1ammonium,326.136553044,IDONYWHRKBUDOR,,,,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,0,6.0 17786,1737,1599,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.0,MS1_match,IDONYWHRKBUDOR-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,IDONYWHRKBUDOR,,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 17787,1737,1599,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.0,MS1_match,IDONYWHRKBUDOR-OXGONZEZSA-N,"InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14-,15-,16-/m1/s1",CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1,C16H22O7,pos_1_1proton1ammonium,326.136553044,IDONYWHRKBUDOR,,,,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,0,6.0 17788,1737,1599,Terpenoids,Diterpenoids,Podocarpane diterpenoids,0.0,MS1_match,BCCRIKZFPLCLBX-OXGONZEZSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(7-11(9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14-,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1OC,C16H22O7,pos_1_1proton1ammonium,326.136553044,BCCRIKZFPLCLBX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,0,6.0 17789,1736,-1,,,,0.6456476,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.582590341567993 17790,1734,-1,,,,0.0,MS1_match,IDONYWHRKBUDOR-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C16H22O7,pos_1_1sodium,326.1365530439999,IDONYWHRKBUDOR,,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 17791,1734,-1,,,,0.0,MS1_match,IDONYWHRKBUDOR-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C16H22O7,pos_1_1sodium,326.1365530439999,IDONYWHRKBUDOR,,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 17792,1733,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVZXIKHRPFCSKF-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(25-15-27)20-8-9-21-19-7-6-17-14-18(26(4)5)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@H](NC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C,C24H42N2O,pos_2_2proton,374.329713964,UVZXIKHRPFCSKF,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 17793,1733,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,pos_2_2proton,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 17794,1733,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,pos_2_2proton,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 17795,1732,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 17796,1732,-1,,,,0.0,MS1_match,QMZKBAQNFAMESG-GBMAXXPESA-N,"InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1,C21H32O2,pos_1_minus1proton1iron,316.240230264,QMZKBAQNFAMESG,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 17797,1731,168,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1ethylamine,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17798,1727,398,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UNALXIWYSATRFG-XTDKSSFHSA-N,"InChI=1S/C37H54N2O4/c1-23(2)31(41)38-29-16-17-36-21-37(36)19-18-34(5)30(24(3)39(7)8)26(43-32(42)25-12-10-9-11-13-25)20-35(34,6)28(37)15-14-27(36)33(29,4)22-40/h9-15,23-24,26-30,40H,16-22H2,1-8H3,(H,38,41)/t24-,26+,27-,28-,29-,30-,33-,34+,35-,36+,37-/m0/s1",CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@H]3[C@]1(C)CO,C37H54N2O4,pos_2_1magnesium,590.4083582080001,UNALXIWYSATRFG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 17799,1726,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,0,7.0 17800,1726,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-PMQCXRHVSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.1107322199999,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 17801,1726,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-PMQCXRHVSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.1107322199999,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 17802,1726,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,0,7.0 17803,1726,-1,,,,0.0,MS1_match,FWHJRKHBZLMKQW-DZLOKQDQSA-N,"InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1",COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.1107322199999,FWHJRKHBZLMKQW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,0,7.0 17804,1726,-1,,,,0.0,MS1_match,ADHNTNYEJYJUCU-ZSJFXSENSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073222,ADHNTNYEJYJUCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,0,7.0 17805,1726,-1,,,,0.0,MS1_match,RFTKPXQZIVKVOP-PMQCXRHVSA-N,"InChI=1S/C16H20O9/c1-23-10-4-2-8(6-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1",COc1ccc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073222,RFTKPXQZIVKVOP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eriobotrya japonica,207983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Eriobotrya'],['Eriobotrya japonica'],7,0,7.0 17806,1725,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 17807,1725,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],6,0,6.0 17808,1724,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 17809,1724,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],8,0,8.0 17810,1724,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 17811,1724,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 17812,1724,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 17813,1724,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 17814,1724,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 17815,1724,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 17816,1724,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,0,8.0 17817,1724,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,0,8.0 17818,1724,-1,,,,0.0,MS1_match,XFPZIWLMBRQHFB-HMXKMONRSA-N,"InChI=1S/C16H18O9/c1-22-8-4-2-7-3-5-10(18)24-14(7)15(8)25-16-13(21)12(20)11(19)9(6-17)23-16/h2-5,9,11-13,16-17,19-21H,6H2,1H3/t9-,11-,12+,13-,16+/m1/s1",COc1ccc2ccc(=O)oc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.095082156,XFPZIWLMBRQHFB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 17819,1724,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],8,0,8.0 17820,1723,-1,,,,0.0,MS1_match,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,pos_1_1proton,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,0,8.0 17821,1720,465,,,,0.5481443,ISDB,,,,,,,PZYVCAAILFDNEG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1925771236419678 17822,1719,-1,,,,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1proton1ethylamine,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 17823,1719,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ethylamine,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17824,1719,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ethylamine,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17825,1717,2621,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17826,1717,2621,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17827,1716,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1potassium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17828,1716,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1potassium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17829,1716,-1,,,,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1potassium,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 17830,1714,204,Fatty acids,Diarylheptanoids,Glycerophosphocholines,0.0,MS1_match,SUHOQUVVVLNYQR-MRVPVSSYSA-N,"InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1",C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO,C8H20NO6P,pos_2MHCH3CN,257.10282399,SUHOQUVVVLNYQR,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 17831,1709,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.33820462,ISDB,COYFDKDZYZEKML-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-6-9(13)3-8-7(4-12)5-15-11(14-2)10(6)8/h4-6,8-11,13H,3H2,1-2H3",COC1OC=C(C=O)C2CC(O)C(C)C12,C11H16O4,,212.104858992,COYFDKDZYZEKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Campsis grandiflora,449722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Tecomeae'],['Campsis'],['Campsis grandiflora'],3,1,4.852818489074707 17832,1708,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4923886,ISDB,UARIKUWXCSCJBL-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h4-7,13H,2-3,8H2,1H3",CC(=O)OCCCc1ccc(O)cc1,C11H14O3,,194.094294308,UARIKUWXCSCJBL,Shikimates and Phenylpropanoids,,,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,6.969554424285889 17833,1703,-1,,,,0.0,MS1_match,DNQQEEOKVVSMQI-JZTLDUIISA-N,"InChI=1S/C16H19NO9/c18-6-9-11(21)12(22)13(23)14(25-9)26-16(5-10(19)20)7-3-1-2-4-8(7)17-15(16)24/h1-4,9,11-14,18,21-23H,5-6H2,(H,17,24)(H,19,20)/t9-,11-,12+,13-,14+,16-/m1/s1",O=C(O)C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)Nc2ccccc21,C16H19NO9,pos_1_1proton,369.105981188,DNQQEEOKVVSMQI,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,0,6.0 17834,1702,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Neolitsea daibuensis,6027050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea daibuensis'],6,0,6.0 17835,1702,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cryptocarya obovata,706090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya obovata'],6,0,6.0 17836,1702,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,FKHHPTUDGBEHEL-CMDGGOBGSA-N,"InChI=1S/C16H14O5/c1-20-15-13(18)12(14(19)16(15)21-2)11(17)9-8-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+",COC1=C(OC)C(=O)C(C(=O)/C=C/c2ccccc2)C1=O,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,FKHHPTUDGBEHEL,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera erythrocarpa,971385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera erythrocarpa'],6,0,6.0 17837,1702,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,QDLAGTHXVHQKRE-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3",COc1cc(C)c2c(=O)c3c(O)cc(OC)cc3oc2c1,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,QDLAGTHXVHQKRE,Polyketides,Xanthones,Methyl xanthones,Nectandra turbacensis,1081324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra turbacensis'],6,0,6.0 17838,1702,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,IUTJITCLNLMFAJ-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-13(18)12(14(19)16(15)21-2)11(17)9-8-10-6-4-3-5-7-10/h3-9,17H,1-2H3",COC1=C(OC)C(=O)C(=C(O)C=Cc2ccccc2)C1=O,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,IUTJITCLNLMFAJ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera erythrocarpa,971385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera erythrocarpa'],6,0,6.0 17839,1702,1726,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,HCCYBFOBGKSPJH-UHFFFAOYSA-N,"InChI=1S/C18H14O5/c1-10-13-5-11(8-19)6-16(20-2)18(13)23-17(10)12-3-4-14-15(7-12)22-9-21-14/h3-8H,9H2,1-2H3",COc1cc(C=O)cc2c(C)c(-c3ccc4c(c3)OCO4)oc12,C18H14O5,pos_1_1proton1ammonium,310.084123548,HCCYBFOBGKSPJH,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Ocotea macrophylla,6027360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea macrophylla'],6,0,6.0 17840,1701,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78885335,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.655413389205933 17841,1701,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78885335,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.655413389205933 17842,1700,1908,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.67871386,ISDB,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,10.214855432510376 17843,1700,1908,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.67871386,ISDB,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Potentilla erecta,176693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Potentilla'],['Potentilla erecta'],6,3,10.214855432510376 17844,1700,1908,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.67871386,ISDB,ILEDWLMCKZNDJK-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",O=c1ccc2cc(O)c(O)cc2o1,C9H6O4,,178.026608672,ILEDWLMCKZNDJK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Geum rivale,829919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum rivale'],6,3,10.214855432510376 17845,1699,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17846,1699,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17847,1699,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17848,1699,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17849,1699,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 17850,1698,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1sodium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 17851,1698,-1,,,,0.0,MS1_match,AMBQHHVBBHTQBF-UOUCRYGSSA-N,"InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C17H26O10,pos_1_1sodium,390.1525970319999,AMBQHHVBBHTQBF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 17852,1698,-1,,,,0.0,MS1_match,MTMCJGRBRGDLOQ-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,8-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(O)C12,C17H26O10,pos_1_1sodium,390.152597032,MTMCJGRBRGDLOQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 17853,1698,-1,,,,0.0,MS1_match,MTMCJGRBRGDLOQ-MBCHPVDHSA-N,"InChI=1S/C17H26O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,8-14,16-22H,3-4H2,1-2H3/t6-,8+,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@@H]2C,C17H26O10,pos_1_1sodium,390.1525970319999,MTMCJGRBRGDLOQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 17854,1698,-1,,,,0.0,MS1_match,MTMCJGRBRGDLOQ-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,8-14,16-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(O)C12,C17H26O10,pos_1_1sodium,390.152597032,MTMCJGRBRGDLOQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 17855,1698,-1,,,,0.0,MS1_match,MTMCJGRBRGDLOQ-MBCHPVDHSA-N,"InChI=1S/C17H26O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,8-14,16-22H,3-4H2,1-2H3/t6-,8+,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@@H]2C,C17H26O10,pos_1_1sodium,390.1525970319999,MTMCJGRBRGDLOQ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 17856,1697,-1,,,,0.0,MS1_match,PZOSJQZCHVKTQJ-ZJUUUORDSA-N,"InChI=1S/C10H12O4/c1-7(11)14-10-3-2-8(12)6-9(10)13-5-4-10/h2-3,9H,4-6H2,1H3/t9-,10+/m1/s1",CC(=O)O[C@]12C=CC(=O)C[C@H]1OCC2,C10H12O4,pos_1_1proton1methanol,196.073558864,PZOSJQZCHVKTQJ,,,,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,0,7.0 17857,1696,-1,,,,0.66553974,ISDB,RXOWVXQQENEZMJ-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,11,13H,1-3H2",O=C1CCCc2c(O)ccc(O)c21,C10H10O3,,178.06299418,RXOWVXQQENEZMJ,Polyketides,Naphthalenes,,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],4,0,6.662158966064453 17858,1695,-1,,,,0.0,MS1_match,LLENXGNWVNSBQG-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1ammonium,636.096263928,LLENXGNWVNSBQG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 17859,1691,-1,,,,0.51273096,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,6.050923824310303 17860,1688,-1,,,,0.54851776,ISDB,WODHEHKVGYDCOS-ZNPNLSIGSA-N,"InChI=1S/C28H40O13/c1-6-7-8-40-25-26(33,13-16-9-19(37-3)24(32)20(10-16)38-4)27(34,15-36-2)28(35,22(14-29)41-25)17-11-18(30)23(31)21(12-17)39-5/h9-12,22,25,29-35H,6-8,13-15H2,1-5H3/t22-,25-,26+,27+,28-/m1/s1",CCCCO[C@@H]1O[C@H](CO)[C@](O)(c2cc(O)c(O)c(OC)c2)[C@](O)(COC)[C@]1(O)Cc1cc(OC)c(O)c(OC)c1,C28H40O13,,584.24689134,WODHEHKVGYDCOS,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Tabernaemontana macrocalyx,836879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana macrocalyx'],4,0,6.194071054458618 17861,1687,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7825465,ISDB,WQKRIBXUPQCEGV-SCLBCKFNSA-N,"InChI=1S/C18H21NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3,6,9,13,19H,4-5,7-8,10H2,1-2H3/t13-,18+/m0/s1",COc1cc2c3c(c1OC)[C@@]1(C=CC(=O)CC1)C[C@@H]3NCC2,C18H21NO3,,299.152143532,WQKRIBXUPQCEGV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,3,10.630186080932617 17862,1686,-1,,,,0.0,MS1_match,KFQHZZINOYUPEI-QGZVFWFLSA-N,"InChI=1S/C20H20O4/c1-10(2)12-8-13-14(19(24)18(12)23)7-11-5-6-17(22)20(3,4)15(11)9-16(13)21/h5-10,17,22H,1-4H3/t17-/m1/s1",CC(C)C1=Cc2c(cc3c(cc2=O)C(C)(C)[C@H](O)C=C3)C(=O)C1=O,C20H20O4,pos_1_1proton1dmso,324.13615912,KFQHZZINOYUPEI,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 17863,1685,827,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,SYRQWOHSFOHYCI-RDRHTQILSA-N,"InChI=1S/C16H24O9/c1-6(2)3-7-14-10(15(21)25-14)9(23-7)5-22-16-13(20)12(19)11(18)8(4-17)24-16/h3,7-14,16-20H,4-5H2,1-2H3/t7-,8-,9+,10+,11-,12+,13-,14-,16-/m1/s1",CC(C)=C[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(=O)O[C@@H]21,C16H24O9,pos_1_1proton1ethylamine,360.142032348,SYRQWOHSFOHYCI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus var. kamtschaticus,7056947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 17864,1685,827,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,SYRQWOHSFOHYCI-RDRHTQILSA-N,"InChI=1S/C16H24O9/c1-6(2)3-7-14-10(15(21)25-14)9(23-7)5-22-16-13(20)12(19)11(18)8(4-17)24-16/h3,7-14,16-20H,4-5H2,1-2H3/t7-,8-,9+,10+,11-,12+,13-,14-,16-/m1/s1",CC(C)=C[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(=O)O[C@@H]21,C16H24O9,pos_1_1proton1ethylamine,360.142032348,SYRQWOHSFOHYCI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Aruncus dioicus,207990.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Aruncus'],['Aruncus dioicus'],6,3,7.5 17865,1684,797,Shikimates and Phenylpropanoids,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,JDTIMXKVYWJWHE-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c1-19-7-3-8(20-2)5-9(4-7)21-14-13(18)12(17)11(16)10(6-15)22-14/h3-5,10-18H,6H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1",COc1cc(OC)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H20O8,pos_1_1proton1ethylamine,316.1158176,JDTIMXKVYWJWHE,Polyketides,Phloroglucinols,Acyl phloroglucinols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 17866,1682,-1,,,,0.0,MS1_match,UNPNZVOVXZXVPA-UHFFFAOYSA-N,"InChI=1S/C16H24O8/c1-8(2-3-9-4-5-10(18)11(19)6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,8,12-22H,2-3,7H2,1H3",CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C16H24O8,pos_1_1sodium,344.147117728,UNPNZVOVXZXVPA,,,,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 17867,1681,1133,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.4845597,ISDB,BIBHMTRKBIBNBI-YJRMEDIRSA-N,"InChI=1S/C20H18O13/c21-7-1-5(2-8(22)12(7)24)19(29)31-4-10-14(26)16(28)18-17(32-10)11-6(20(30)33-18)3-9(23)13(25)15(11)27/h1-3,10,14,16-18,21-28H,4H2/t10-,14+,16+,17+,18-/m1/s1",O=C(OC[C@H]1O[C@H]2c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C20H18O13,,466.074740636,BIBHMTRKBIBNBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rodgersia podophylla,429366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Rodgersia'],['Rodgersia podophylla'],5,3,8.438238859176636 17868,1681,1133,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.4845597,ISDB,BIBHMTRKBIBNBI-IAMLKPJMSA-N,"InChI=1S/C20H18O13/c21-7-1-5(2-8(22)12(7)24)19(29)31-4-10-14(26)16(28)18-17(32-10)11-6(20(30)33-18)3-9(23)13(25)15(11)27/h1-3,10,14,16-18,21-28H,4H2/t10-,14-,16+,17+,18-/m1/s1",O=C(OC[C@H]1O[C@H]2c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H18O13,,466.07474063599983,BIBHMTRKBIBNBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Bergenia purpurascens,985181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Bergenia'],['Bergenia purpurascens'],5,3,8.438238859176636 17869,1680,-1,,,,0.0,MS1_match,KAZMSBSNWWWNPL-QEKTYAEASA-N,"InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C19H34O8,pos_1_1sodium,390.22536804799984,KAZMSBSNWWWNPL,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 17870,1680,-1,,,,0.0,MS1_match,KAZMSBSNWWWNPL-QEKTYAEASA-N,"InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C19H34O8,pos_1_1sodium,390.22536804799984,KAZMSBSNWWWNPL,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 17871,1680,-1,,,,0.0,MS1_match,MRPDHXXPDCVBPQ-BBGWOQPJSA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.22536804799984,MRPDHXXPDCVBPQ,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 17872,1680,-1,,,,0.0,MS1_match,MRPDHXXPDCVBPQ-BBGWOQPJSA-N,"InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O8,pos_1_1sodium,390.22536804799984,MRPDHXXPDCVBPQ,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 17873,1679,-1,,,,0.43955222,ISDB,JXJIQCXXJGRKRJ-KOOBJXAQSA-N,"InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+",CC(=O)/C=C/C=C(\C)CCC=C(C)C,C13H20O,,192.15141526,JXJIQCXXJGRKRJ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,8.758208870887756 17874,1678,-1,,,,0.0,MS1_match,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,pos_1_1proton1methanol,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17875,1678,-1,,,,0.0,MS1_match,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,pos_1_1proton1methanol,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 17876,1677,-1,,,,0.0,MS1_match,WLJVXDMOQOGPHL-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",O=C(O)Cc1ccccc1,C8H8O2,pos_1_1proton,136.052429496,WLJVXDMOQOGPHL,Shikimates and Phenylpropanoids,,,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 17877,1676,787,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.52389055,ISDB,KRGJABLVIDOYEE-YOSAUDMPSA-N,"InChI=1S/C28H22O17/c29-13-1-10(2-14(30)21(13)35)26(40)43-19-7-9(25(38)39)8-20(44-27(41)11-3-15(31)22(36)16(32)4-11)24(19)45-28(42)12-5-17(33)23(37)18(34)6-12/h1-7,19-20,24,29-37H,8H2,(H,38,39)/t19-,20-,24-/m1/s1",O=C(O)C1=C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C28H22O17,,630.085699244,KRGJABLVIDOYEE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Terminalia chebula,987253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Terminalia'],['Terminalia chebula'],0,3,3.595562219619751 17878,1675,1117,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 17879,1675,1117,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 17880,1674,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7210324,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.384129524230957 17881,1674,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7210324,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.384129524230957 17882,1674,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7210324,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.384129524230957 17883,1674,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7210324,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.384129524230957 17884,1674,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7210324,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.384129524230957 17885,1674,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7210324,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.384129524230957 17886,1672,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 17887,1672,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 17888,1671,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6255796,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,8.002318382263184 17889,1671,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6255796,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,8.002318382263184 17890,1670,-1,,,,0.0,MS1_match,FZMONKRUPXQHKO-HDKDJTITSA-N,"InChI=1S/C19H28O4/c1-11-5-7-13-12(15(11)16(20)21)6-8-14-18(13,2)9-4-10-19(14,3)17(22)23/h11,13-14H,4-10H2,1-3H3,(H,20,21)(H,22,23)/t11-,13-,14+,18+,19+/m0/s1",C[C@H]1CC[C@H]2C(=C1C(=O)O)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O,C19H28O4,pos_1_minus1proton1iron,320.19875937599994,FZMONKRUPXQHKO,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 17891,1670,-1,,,,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_minus1proton1iron,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,0,6.0 17892,1670,-1,,,,0.0,MS1_match,JXHQWTYFUSHCGX-SFUIVIKGSA-N,"InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC=C(C)C(=O)O,C19H28O4,pos_1_minus1proton1iron,320.198759376,JXHQWTYFUSHCGX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus luchuensis,782828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus luchuensis'],6,0,6.0 17893,1666,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,QRWNMJBTANFMHA-VBTGVMJWSA-N,"InChI=1S/C16H22O10/c1-22-8-4-7(5-9(23-2)14(8)24-3)15(21)26-16-13(20)12(19)11(18)10(6-17)25-16/h4-5,10-13,16-20H,6H2,1-3H3/t10-,11-,12+,13-,16+/m1/s1",COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C16H22O10,pos_1_1proton1ethylamine,374.1212969039999,QRWNMJBTANFMHA,,,,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 17894,1666,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17895,1666,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 17896,1666,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 17897,1666,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17898,1666,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 17899,1666,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 17900,1665,168,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.22371204,ISDB,,,,,,,UUGQMXHZMGGSMU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8948481678962708 17901,1662,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 17902,1662,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 17903,1658,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.36956015,ISDB,ASRZUUIQEMYXLQ-BQRXGMAVSA-N,"InChI=1S/C18H29NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h6-7,9-10,13-17H,4-5,8,11-12H2,1-3H3,(H,19,20)/b7-6+,10-9-,14-13+,16-15+/t17-/m0/s1",CC/C=C/C/C=C\CC/C=C/C=C/C(=O)N[C@@H](C)CC,C18H29NO,,275.224914548,ASRZUUIQEMYXLQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],4,0,5.478240609169006 17904,1658,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.36956015,ISDB,ASRZUUIQEMYXLQ-UHFFFAOYSA-N,"InChI=1S/C18H29NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h6-7,9-10,13-17H,4-5,8,11-12H2,1-3H3,(H,19,20)",CCC=CCC=CCCC=CC=CC(=O)NC(C)CC,C18H29NO,,275.224914548,ASRZUUIQEMYXLQ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum rhetsa,5762605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum rhetsum'],4,0,5.478240609169006 17905,1657,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17906,1657,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 17907,1657,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 17908,1657,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17909,1657,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-OWPYBXRGSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17?,18?/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C(OCc2ccccc2)O[C@@H]1COC1OC[C@@H](O)[C@H](O)[C@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 17910,1657,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,0,8.0 17911,1655,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WRFQFEGHCJALCO-MENSBAHOSA-N,"InChI=1S/C25H44N2O/c1-16(27(6)17(2)28)21-9-10-22-20-8-7-18-15-19(26-5)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23,26H,7-15H2,1-6H3/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1",CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C(C)=O)CC[C@@H]32)C1,C25H44N2O,pos_2_2proton,388.345364028,WRFQFEGHCJALCO,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 17912,1655,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AIEKUSBFLBFTIU-MENSBAHOSA-N,"InChI=1S/C25H44N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23H,7-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1",CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1,C25H44N2O,pos_2_2proton,388.345364028,AIEKUSBFLBFTIU,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 17913,1654,755,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5651273,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,12.760509252548218 17914,1653,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.79536843,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,12.681473731994629 17915,1652,-1,,,,0.0,MS1_match,IWFNDNSEUAIXJM-KVWRXITHSA-N,"InChI=1S/C32H40O18/c1-16(33)42-12-24-28(46-18(3)35)30(48-20(5)37)27(40)23(49-24)14-45-32(15-44-17(2)34)31(41)29(47-19(4)36)25(50-32)13-43-26(39)11-8-21-6-9-22(38)10-7-21/h6-11,23-25,27-31,38,40-41H,12-15H2,1-5H3/b11-8+/t23-,24-,25-,27+,28-,29+,30-,31-,32-/m1/s1",CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C32H40O18,pos_2_2sodium,712.2214644399999,IWFNDNSEUAIXJM,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 17916,1652,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17917,1652,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17918,1652,-1,,,,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1sodium,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 17919,1651,-1,,,,0.0,MS1_match,PGZCJOPTDHWYES-CEWLAPEOSA-N,"InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12,C21H30O2,pos_1_minus1proton1iron,314.2245802,PGZCJOPTDHWYES,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 17920,1649,-1,,,,0.0,MS1_match,LLENXGNWVNSBQG-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1sodium,636.096263928,LLENXGNWVNSBQG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,0,7.0 17921,1646,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 17922,1646,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 17923,1646,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 17924,1646,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 17925,1645,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.30627123,ISDB,BJEHEPQJTRPTDU-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,1-2H3",CC#Cc1ccc(O)c(OC)c1,C10H10O2,,162.06807956,BJEHEPQJTRPTDU,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,6.225084900856018 17926,1644,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6008497,ISDB,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,2,9.403398752212524 17927,1644,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6008497,ISDB,ORJDDOBAOGKRJV-AWEZNQCLSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccccc1)CC2=O,C16H14O4,,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus lambertiana,568626.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus lambertiana'],6,2,9.403398752212524 17928,1644,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6008497,ISDB,ORJDDOBAOGKRJV-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3",COc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O,C16H14O4,,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,2,9.403398752212524 17929,1644,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6008497,ISDB,ORJDDOBAOGKRJV-AWEZNQCLSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccccc1)CC2=O,C16H14O4,,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus clausa,217118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus clausa'],6,2,9.403398752212524 17930,1644,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6008497,ISDB,ORJDDOBAOGKRJV-AWEZNQCLSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccccc1)CC2=O,C16H14O4,,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,2,9.403398752212524 17931,1644,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6008497,ISDB,ORJDDOBAOGKRJV-UHFFFAOYSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3",COc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O,C16H14O4,,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus,771683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Unknown'],6,2,9.403398752212524 17932,1644,1691,Shikimates and Phenylpropanoids,Flavonoids,Phenanthrenes,0.6008497,ISDB,ORJDDOBAOGKRJV-CQSZACIVSA-N,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1",COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O,C16H14O4,,270.089208928,ORJDDOBAOGKRJV,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus morrisonicola,1086988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus morrisonicola'],6,2,9.403398752212524 17933,1640,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.6579106,ISDB,JQXBHAOCMVWRCI-UHFFFAOYSA-N,"InChI=1S/C18H18O4/c19-16-9-5-14-2-1-11-21-18(20)10-6-13-3-7-15(8-4-13)22-17(16)12-14/h3-5,7-9,12,19H,1-2,6,10-11H2",O=C1CCc2ccc(cc2)Oc2cc(ccc2O)CCCO1,C18H18O4,,298.12050905599995,JQXBHAOCMVWRCI,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aegiceras corniculatum,519879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Aegiceras'],['Aegiceras corniculatum'],3,3,7.1316423416137695 17934,1639,-1,,,,0.0,MS1_match,FQDMAUIPHMDBJV-SCXLGCMQSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19-,20-,21+,22-,23+,25-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 17935,1639,-1,,,,0.0,MS1_match,FQDMAUIPHMDBJV-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.194461844,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 17936,1639,-1,,,,0.0,MS1_match,FQDMAUIPHMDBJV-JORXNSFBSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 17937,1639,-1,,,,0.0,MS1_match,FQDMAUIPHMDBJV-SCXLGCMQSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19-,20-,21+,22-,23+,25-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 17938,1639,-1,,,,0.0,MS1_match,FQDMAUIPHMDBJV-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.194461844,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,0,6.0 17939,1639,-1,,,,0.0,MS1_match,FQDMAUIPHMDBJV-JORXNSFBSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1sodium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 17940,1638,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.194461844,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 17941,1638,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-JORXNSFBSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 17942,1638,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-SCXLGCMQSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19-,20-,21+,22-,23+,25-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 17943,1638,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-DJSGBOIRSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1",COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.194461844,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,7.5 17944,1638,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-JORXNSFBSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23-,25+/m0/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 17945,1638,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,FQDMAUIPHMDBJV-SCXLGCMQSA-N,"InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19-,20-,21+,22-,23+,25-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C25H32O11,pos_1_1proton1ammonium,508.1944618439999,FQDMAUIPHMDBJV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 17946,1637,278,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton1isopropanol,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,1,7.5 17947,1636,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6652809,ISDB,BXWMZVREXWPYKF-AWEZNQCLSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3/t14-/m0/s1",COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,3,10.161123514175415 17948,1636,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6652809,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,10.161123514175415 17949,1636,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6652809,ISDB,BXWMZVREXWPYKF-AWEZNQCLSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3/t14-/m0/s1",COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Neolitsea dealbata,893264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea dealbata'],6,3,10.161123514175415 17950,1636,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6652809,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,3,10.161123514175415 17951,1636,2038,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6652809,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ocotea lancifolia,361092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea lancifolia'],6,3,10.161123514175415 17952,1634,285,Alkaloids,Ornithine alkaloids,Polyamines,0.5973411,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],4,3,7.88936448097229 17953,1634,285,Alkaloids,Ornithine alkaloids,Polyamines,0.5973411,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.88936448097229 17954,1634,285,Alkaloids,Ornithine alkaloids,Polyamines,0.5973411,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.88936448097229 17955,1633,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.50480896,ISDB,BOCSYQUEXFEPBU-VGKDHJGOSA-N,"InChI=1S/C25H42N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h9,16,18-20,22-23H,7-8,10-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,22-,23-,24-,25+/m0/s1",CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)C1,C25H42N2O,,386.329713964,BOCSYQUEXFEPBU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,9.519235849380493 17956,1632,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,CGTQPVKZNROYFH-XSPVUIILSA-N,"InChI=1S/C68H50O44/c69-12-37(107-61(96)16-1-24(71)43(83)25(72)2-16)59(111-62(97)17-3-26(73)44(84)27(74)4-17)57-35(82)15-105-65(100)22-11-36(50(90)54(94)42(22)41-21(67(102)109-57)9-32(79)48(88)53(41)93)106-56-23(10-33(80)49(89)55(56)95)68(103)108-38(13-70)60(112-63(98)18-5-28(75)45(85)29(76)6-18)58-34(81)14-104-64(99)19-7-30(77)46(86)51(91)39(19)40-20(66(101)110-58)8-31(78)47(87)52(40)92/h1-13,34-35,37-38,57-60,71-95H,14-15H2/t34-,35-,37+,38+,57-,58-,59-,60-/m1/s1",O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(Oc3c(C(=O)O[C@@H](C=O)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC[C@H]4O)cc(O)c(O)c3O)c(O)c2O)C(=O)OC[C@H]1O,C68H50O44,pos_1_1proton1ammonium,1570.167494879999,CGTQPVKZNROYFH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 17957,1632,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,CGTQPVKZNROYFH-XSPVUIILSA-N,"InChI=1S/C68H50O44/c69-12-37(107-61(96)16-1-24(71)43(83)25(72)2-16)59(111-62(97)17-3-26(73)44(84)27(74)4-17)57-35(82)15-105-65(100)22-11-36(50(90)54(94)42(22)41-21(67(102)109-57)9-32(79)48(88)53(41)93)106-56-23(10-33(80)49(89)55(56)95)68(103)108-38(13-70)60(112-63(98)18-5-28(75)45(85)29(76)6-18)58-34(81)14-104-64(99)19-7-30(77)46(86)51(91)39(19)40-20(66(101)110-58)8-31(78)47(87)52(40)92/h1-13,34-35,37-38,57-60,71-95H,14-15H2/t34-,35-,37+,38+,57-,58-,59-,60-/m1/s1",O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(Oc3c(C(=O)O[C@@H](C=O)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC[C@H]4O)cc(O)c(O)c3O)c(O)c2O)C(=O)OC[C@H]1O,C68H50O44,pos_1_1proton1ammonium,1570.167494879999,CGTQPVKZNROYFH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 17958,1632,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,OYKFZOYXAMENEC-YICNRKKKSA-N,"InChI=1S/C68H50O44/c69-22-1-14(2-23(70)40(22)80)59(92)109-55-52-34(105-67(100)57(55)111-61(94)16-5-26(73)42(82)27(74)6-16)13-103-63(96)20-11-32(47(87)51(91)38(20)37-19(65(98)107-52)9-30(77)45(85)50(37)90)104-54-39(79)21(10-31(78)46(54)86)66(99)112-58-56(110-60(93)15-3-24(71)41(81)25(72)4-15)53-33(106-68(58)101)12-102-62(95)17-7-28(75)43(83)48(88)35(17)36-18(64(97)108-53)8-29(76)44(84)49(36)89/h1-11,33-34,52-53,55-58,67-91,100-101H,12-13H2/t33-,34-,52-,53-,55+,56+,57-,58-,67-,68-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(Oc3cc4c(c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)O[C@H]3[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)O[C@@H]3COC4=O)c2O)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C68H50O44,pos_1_1proton1ammonium,1570.16749488,OYKFZOYXAMENEC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 17959,1632,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,HGEWZLYWHYBOEE-SERCGZIASA-N,"InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(92)109-55-53-33(105-67(100)57(55)111-61(94)16-5-26(73)41(81)27(74)6-16)12-103-63(96)18-8-29(76)43(83)48(88)36(18)38-20(65(98)108-53)11-32(46(86)50(38)90)104-52-21(10-31(78)45(85)51(52)91)66(99)112-58-56(110-60(93)15-3-24(71)40(80)25(72)4-15)54-34(106-68(58)101)13-102-62(95)17-7-28(75)42(82)47(87)35(17)37-19(64(97)107-54)9-30(77)44(84)49(37)89/h1-11,33-34,53-58,67-91,100-101H,12-13H2/t33-,34-,53-,54-,55+,56+,57-,58-,67-,68-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]2O[C@@H](O)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]2OC3=O)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C68H50O44,pos_1_1proton1ammonium,1570.16749488,HGEWZLYWHYBOEE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 17960,1631,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.47353992,ISDB,DSSYKIVIOFKYAU-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",CC12CCC(CC1=O)C2(C)C,C10H16O,,152.120115132,DSSYKIVIOFKYAU,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Betula alnoides,921963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula alnoides'],7,2,9.89415967464447 17961,1630,1202,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,3,7.5 17962,1629,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17963,1628,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_2_2proton1ammonium,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17964,1628,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_2_2proton,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17965,1627,-1,,,,0.0,MS1_match,JGXFMIJHKASCIZ-UHFFFAOYSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton,492.126776208,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],6,0,6.0 17966,1627,-1,,,,0.0,MS1_match,OPOXKCGDGZJWHI-UJGPHIHISA-N,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)19(14)27)11-8-33-13-6-10(5-12(25)17(13)18(11)26)34-23-22(30)21(29)20(28)16(7-24)35-23/h3-6,8,16,20-25,27-30H,7H2,1-2H3/t16-,20-,21+,22-,23-/m1/s1",COc1cc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc(OC)c1O,C23H24O12,pos_1_1proton,492.1267762079998,OPOXKCGDGZJWHI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],6,0,6.0 17967,1627,-1,,,,0.0,MS1_match,RQLOWOYMKFVTBB-DODNOZFWSA-N,"InChI=1S/C23H24O12/c1-31-16-4-10-14(5-13(16)26)33-8-11(19(10)27)9-3-12(25)17(32-2)6-15(9)34-23-22(30)21(29)20(28)18(7-24)35-23/h3-6,8,18,20-26,28-30H,7H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2coc3cc(O)c(OC)cc3c2=O)cc1O,C23H24O12,pos_1_1proton,492.126776208,RQLOWOYMKFVTBB,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 17968,1627,-1,,,,0.0,MS1_match,PXUQTDZNOHRWLI-JJYSZZJESA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20-,21+,23-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,C23H25O12+,pos_1_1proton,493.13405266009,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Clitoria ternatea,404244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Clitoria'],['Clitoria ternatea'],6,0,6.0 17969,1627,-1,,,,0.0,MS1_match,PXUQTDZNOHRWLI-UHFFFAOYSA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,C23H25O12+,pos_1_1proton,493.13405266009,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Clitoria,404237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Clitoria'],['Unknown'],6,0,6.0 17970,1627,-1,,,,0.0,MS1_match,PXUQTDZNOHRWLI-JJYSZZJESA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20-,21+,23-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,C23H25O12+,pos_1_1proton,493.13405266009,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Vigna subterranea,853659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna subterranea'],6,0,6.0 17971,1627,-1,,,,0.0,MS1_match,PXUQTDZNOHRWLI-QOPOCTTISA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20-,21+,23+/m0/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C23H25O12+,pos_1_1proton,493.13405266009,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 17972,1627,-1,,,,0.0,MS1_match,LQYQYAJWKXDTHR-PHVGODQESA-N,"InChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16-,19+,20-,23-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O,C23H24O12,pos_1_1proton,492.1267762079998,LQYQYAJWKXDTHR,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Senna tora,1084528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna tora'],6,0,6.0 17973,1627,-1,,,,0.0,MS1_match,LQYQYAJWKXDTHR-PHVGODQESA-N,"InChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16-,19+,20-,23-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O,C23H24O12,pos_1_1proton,492.1267762079998,LQYQYAJWKXDTHR,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Senna obtusifolia,335059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna obtusifolia'],6,0,6.0 17974,1627,-1,,,,0.0,MS1_match,XZMJYQJEDADTPS-FTVHLUNLSA-N,"InChI=1S/C23H24O12/c1-31-20-16(28)14-11(26)7-12(9-3-5-10(25)6-4-9)33-19(14)22(21(20)32-2)35-23-18(30)17(29)15(27)13(8-24)34-23/h3-7,13,15,17-18,23-25,27-30H,8H2,1-2H3/t13-,15-,17+,18-,23+/m1/s1",COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C23H24O12,pos_1_1proton,492.126776208,XZMJYQJEDADTPS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Abrus precatorius,39530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Abreae'],['Abrus'],['Abrus precatorius'],6,0,6.0 17975,1627,-1,,,,0.0,MS1_match,PLBUVTBSLDSDLK-ZQJMOEEOSA-N,"InChI=1S/C23H24O12/c1-30-21-10(2-3-13-22(21)33-8-32-13)11-7-31-14-5-9(4-12(25)16(14)17(11)26)34-23-20(29)19(28)18(27)15(6-24)35-23/h2-5,11,15,18-20,23-25,27-29H,6-8H2,1H3/t11-,15-,18-,19+,20-,23-/m1/s1",COc1c([C@H]2COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C2=O)ccc2c1OCO2,C23H24O12,pos_1_1proton,492.1267762079998,PLBUVTBSLDSDLK,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Desmodium styracifolium,1051688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Desmodium'],['Desmodium styracifolium'],6,0,6.0 17976,1627,-1,,,,0.0,MS1_match,AJRPVOZGWVGWPP-QUOGVRNCSA-N,"InChI=1S/C23H24O12/c1-31-10-6-12(26)16-14(7-10)33-21(9-3-4-13(32-2)11(25)5-9)22(18(16)28)35-23-20(30)19(29)17(27)15(8-24)34-23/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15-,17+,19-,20-,23+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(OC)c(O)c3)oc2c1,C23H24O12,pos_1_1proton,492.126776208,AJRPVOZGWVGWPP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis onobrychioides,421553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis onobrychoides'],6,0,6.0 17977,1627,-1,,,,0.0,MS1_match,NULDUMWEBSEHPR-QUOGVRNCSA-N,"InChI=1S/C23H24O12/c1-31-10-6-12(26)16-14(7-10)33-21(9-3-4-11(25)13(5-9)32-2)22(18(16)28)35-23-20(30)19(29)17(27)15(8-24)34-23/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15-,17+,19-,20-,23+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C23H24O12,pos_1_1proton,492.126776208,NULDUMWEBSEHPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis onobrychioides,421553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis onobrychoides'],6,0,6.0 17978,1627,-1,,,,0.0,MS1_match,NULDUMWEBSEHPR-QUOGVRNCSA-N,"InChI=1S/C23H24O12/c1-31-10-6-12(26)16-14(7-10)33-21(9-3-4-11(25)13(5-9)32-2)22(18(16)28)35-23-20(30)19(29)17(27)15(8-24)34-23/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15-,17+,19-,20-,23+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1,C23H24O12,pos_1_1proton,492.126776208,NULDUMWEBSEHPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis onobrychioides,421553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis onobrychoides'],6,0,6.0 17979,1627,-1,,,,0.0,MS1_match,SCPZMKULCXXVIN-LNNZMUSMSA-N,"InChI=1S/C23H24O12/c1-31-12-5-9(3-4-11(12)26)21-22(35-23-20(30)19(29)17(27)15(8-24)34-23)18(28)16-13(32-2)6-10(25)7-14(16)33-21/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15-,17-,19+,20-,23+/m1/s1",COc1cc(-c2oc3cc(O)cc(OC)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C23H24O12,pos_1_1proton,492.126776208,SCPZMKULCXXVIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 17980,1627,-1,,,,0.0,MS1_match,JGXFMIJHKASCIZ-UHFFFAOYSA-N,"InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3o2)cc(OC)c1O,C23H24O12,pos_1_1proton,492.126776208,JGXFMIJHKASCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],6,0,6.0 17981,1627,-1,,,,0.0,MS1_match,MWQQQDCTBFECSA-UHFFFAOYSA-N,"InChI=1S/C22H20O11/c23-6-16-19(26)20(27)21(28)22(33-16)32-10-4-12(24)17-15(5-10)29-7-11(18(17)25)9-1-2-13-14(3-9)31-8-30-13/h1-5,7,16,19-24,26-28H,6,8H2",O=c1c(-c2ccc3c(c2)OCO3)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C22H20O11,pos_1_1proton1methanol,460.10056146,MWQQQDCTBFECSA,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus,878988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Unknown'],6,0,6.0 17982,1627,-1,,,,0.0,MS1_match,MWQQQDCTBFECSA-RECXWPGBSA-N,"InChI=1S/C22H20O11/c23-6-16-19(26)20(27)21(28)22(33-16)32-10-4-12(24)17-15(5-10)29-7-11(18(17)25)9-1-2-13-14(3-9)31-8-30-13/h1-5,7,16,19-24,26-28H,6,8H2/t16-,19-,20+,21-,22-/m1/s1",O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C22H20O11,pos_1_1proton1methanol,460.10056146,MWQQQDCTBFECSA,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus luteus,1086811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus luteus'],6,0,6.0 17983,1626,596,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JEIHCEATBDDAQS-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-7-10(19)6-12-13(14(7)21)15(22)17(23-2)16(24-12)8-3-4-9(18)11(20)5-8/h3-6,18-21H,1-2H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(C)c(O)c2c1=O,C17H14O7,pos_1_1proton,330.073952788,JEIHCEATBDDAQS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Piliostigma reticulatum,777582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Piliostigma'],['Piliostigma reticulatum'],7,3,8.5 17984,1626,596,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JEIHCEATBDDAQS-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-7-10(19)6-12-13(14(7)21)15(22)17(23-2)16(24-12)8-3-4-9(18)11(20)5-8/h3-6,18-21H,1-2H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(C)c(O)c2c1=O,C17H14O7,pos_1_1proton,330.073952788,JEIHCEATBDDAQS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Piliostigma thonningii,276253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Piliostigma'],['Piliostigma thonningii'],7,3,8.5 17985,1625,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.29392698,ISDB,,,,,,,RGJAJCOCOZWPNI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1757079362869263 17986,1624,3497,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8162956,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.765182495117188 17987,1622,1640,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1isopropanol,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17988,1622,1640,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1isopropanol,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 17989,1621,-1,,,,0.38295627,ISDB,,,,,,,QLLSXMKDBKMBDT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.531825065612793 17990,1620,-1,,,,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 17991,1620,-1,,,,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 17992,1620,-1,,,,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 17993,1619,-1,,,,0.4110163,ISDB,DSXKRJBQUCPJOW-DMGFCEKXSA-N,"InChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h6-7,10-13,16-19,21H,4-5,8-9,14-15,20H2,1-3H3,(H,23,24)/b7-6+,11-10+,13-12+,17-16+,19-18+",CCC/C=C/CC/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C,C22H35NO,,329.27186474,DSXKRJBQUCPJOW,Fatty acids,Fatty amides,N-acyl amines,Heliopsis helianthoides var. scabra,275096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],4,0,5.6440651416778564 17994,1618,238,Shikimates and Phenylpropanoids,Coumarins,Naphthalenes and derivatives,0.5766943,ISDB,WLZPYTDCBHITRF-UHFFFAOYSA-N,"InChI=1S/C11H10O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3",COc1cccc2c(O)cccc12,C11H10O2,,174.06807956,WLZPYTDCBHITRF,Polyketides,Naphthalenes,Naphthalenes and derivatives,Engelhardia roxburghiana,722586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Engelhardia'],['Engelhardia roxburghiana'],3,3,6.806777238845825 17995,1617,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.7743012,ISDB,LZQROVULQOBMDC-UHFFFAOYSA-N,"InChI=1S/C16H27NO/c1-4-6-8-10-17-15-11-14(9-7-5-2)12-16(13-15)18-3/h11-13,17H,4-10H2,1-3H3",CCCCCNc1cc(CCCC)cc(OC)c1,C16H27NO,,249.209264484,LZQROVULQOBMDC,Alkaloids,,,Tessmannia densiflora,3917407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Detarieae'],['Tessmannia'],['Tessmannia densiflora'],4,1,7.597204685211182 17996,1614,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6695078,ISDB,NRLDULXFOAMEBL-AYHDWYHFSA-N,"InChI=1S/C26H46N2O2/c1-16(28(5)6)21-17(30)13-24(4)19-8-7-18-22(2,15-29)20(27)9-10-25(18)14-26(19,25)12-11-23(21,24)3/h16-21,29-30H,7-15,27H2,1-6H3/t16-,17+,18-,19-,20-,21-,22+,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H46N2O2,,418.355928712,NRLDULXFOAMEBL,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,11.178031206130981 17997,1613,104,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 17998,1612,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 17999,1612,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18000,1612,-1,,,,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18001,1611,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.8515407,ISDB,IBBJBVLTEQHUQV-ZUDQDPCPSA-N,"InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@H]5C,C27H46N2O,,414.361014092,IBBJBVLTEQHUQV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.906162738800049 18002,1609,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.23904388,ISDB,VRCBYTZZZFFKEN-RBZNUJCTSA-N,"InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C25H24O13,,532.1216908279998,VRCBYTZZZFFKEN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Pueraria montana var. lobata,935487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria montana'],6,2,7.95617550611496 18003,1609,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.23904388,ISDB,VRCBYTZZZFFKEN-RBZNUJCTSA-N,"InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C25H24O13,,532.1216908279998,VRCBYTZZZFFKEN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cicer arietinum,612429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer arietinum'],6,2,7.95617550611496 18004,1609,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.23904388,ISDB,VRCBYTZZZFFKEN-RBZNUJCTSA-N,"InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C25H24O13,,532.1216908279998,VRCBYTZZZFFKEN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Medicago truncatula,1060499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago truncatula'],6,2,7.95617550611496 18005,1609,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.23904388,ISDB,VRCBYTZZZFFKEN-RBZNUJCTSA-N,"InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C25H24O13,,532.1216908279998,VRCBYTZZZFFKEN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Trifolium subterraneum,539553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium subterraneum'],6,2,7.95617550611496 18006,1609,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.23904388,ISDB,VRCBYTZZZFFKEN-UHFFFAOYSA-N,"InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)",COc1ccc(-c2coc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc(O)c3c2=O)cc1,C25H24O13,,532.121690828,VRCBYTZZZFFKEN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Trifolium pratense,839027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pratense'],6,2,7.95617550611496 18007,1608,1636,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PAMXEQTZFGNGCU-FYNCRGIISA-N,"InChI=1S/C28H32O15/c1-10-25(42-28-23(36)21(34)19(32)17(9-29)41-28)22(35)24(37)27(39-10)43-26-16(38-2)8-15-18(20(26)33)13(31)7-14(40-15)11-3-5-12(30)6-4-11/h3-8,10,17,19,21-25,27-30,32-37H,9H2,1-2H3/t10-,17+,19+,21-,22-,23+,24+,25-,27-,28-/m0/s1",COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C28H32O15,pos_1_1proton,608.174120324,PAMXEQTZFGNGCU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sorbaria sorbifolia,873712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Sorbaria'],['Sorbaria sorbifolia'],6,2,7.0 18008,1605,-1,,,,0.0,MS1_match,IWFNDNSEUAIXJM-KVWRXITHSA-N,"InChI=1S/C32H40O18/c1-16(33)42-12-24-28(46-18(3)35)30(48-20(5)37)27(40)23(49-24)14-45-32(15-44-17(2)34)31(41)29(47-19(4)36)25(50-32)13-43-26(39)11-8-21-6-9-22(38)10-7-21/h6-11,23-25,27-31,38,40-41H,12-15H2,1-5H3/b11-8+/t23-,24-,25-,27+,28-,29+,30-,31-,32-/m1/s1",CC(=O)OC[C@H]1O[C@H](CO[C@]2(COC(C)=O)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C32H40O18,pos_2_2sodium,712.2214644399999,IWFNDNSEUAIXJM,,,,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 18009,1605,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 18010,1605,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1sodium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 18011,1605,-1,,,,0.0,MS1_match,WSHSQJSPOLYHLM-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2,C16H20O9,pos_1_1sodium,356.1107322199999,WSHSQJSPOLYHLM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18012,1603,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.44988847,ISDB,ZBJGGLXQNXXXRO-VCZRHBNQSA-N,"InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h7-12,15-17,19H,4-6,13-14H2,1-3H3/b8-7+,10-9+,12-11+/t15-,16+,17+/m0/s1",CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1C,C17H29NO,,263.224914548,ZBJGGLXQNXXXRO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],4,1,6.299553871154785 18013,1598,1960,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pinus morrisonicola,1086988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus morrisonicola'],6,3,7.5 18014,1598,1960,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pinus armandii,714285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus armandii'],6,3,7.5 18015,1598,1960,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pinus monticola,568650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus monticola'],6,3,7.5 18016,1598,1960,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,XRJWLVUOUWIPHW-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3",Cc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O,C16H12O4,pos_2_2proton,268.073558864,XRJWLVUOUWIPHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pinus morrisonicola,1086988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus morrisonicola'],6,3,7.5 18017,1598,1960,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,XRJWLVUOUWIPHW-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3",Cc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O,C16H12O4,pos_2_2proton,268.073558864,XRJWLVUOUWIPHW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pinus strobus,568616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus strobus'],6,3,7.5 18018,1598,1960,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,RHRBRAJIMZYWEB-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-8,17-18H,1H3",Cc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12,C16H12O4,pos_2_2proton,268.073558864,RHRBRAJIMZYWEB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pinus morrisonicola,1086988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus morrisonicola'],6,3,7.5 18019,1596,393,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.6490155,ISDB,,,,,,,LXPWEKOLVATYSJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.596061944961548 18020,1594,-1,,,,0.0,MS1_match,LTEPZFZSPZASKJ-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2",O=C(CCO)c1ccc(O)cc1,C9H10O3,pos_1_1proton1acetonitrile,166.06299418,LTEPZFZSPZASKJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],6,0,6.0 18021,1594,-1,,,,0.0,MS1_match,GYCKQBWUSACYIF-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",CCOC(=O)c1ccccc1O,C9H10O3,pos_1_1proton1acetonitrile,166.06299418,GYCKQBWUSACYIF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 18022,1593,1636,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UXXAEVMOIUAYQT-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O11,pos_1_1proton,462.1162115239998,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 18023,1593,1636,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UXXAEVMOIUAYQT-UFGFRKJLSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O11,pos_1_1proton,462.1162115239998,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 18024,1593,1636,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XJQKYCNSLNPXDD-XMHBHJPISA-N,"InChI=1S/C22H22O11/c1-30-10-4-2-9(3-5-10)21-19(28)17(26)15-12(24)6-11(7-13(15)32-21)31-22-20(29)18(27)16(25)14(8-23)33-22/h2-7,14,16,18,20,22-25,27-29H,8H2,1H3/t14-,16-,18+,20-,22-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)cc1,C22H22O11,pos_1_1proton,462.1162115239998,XJQKYCNSLNPXDD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 18025,1593,1636,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XJQKYCNSLNPXDD-XMHBHJPISA-N,"InChI=1S/C22H22O11/c1-30-10-4-2-9(3-5-10)21-19(28)17(26)15-12(24)6-11(7-13(15)32-21)31-22-20(29)18(27)16(25)14(8-23)33-22/h2-7,14,16,18,20,22-25,27-29H,8H2,1H3/t14-,16-,18+,20-,22-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)cc1,C22H22O11,pos_1_1proton,462.1162115239998,XJQKYCNSLNPXDD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,9.5 18026,1592,1251,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.28366506,ISDB,WQXKWXBSRXGYLX-VLIVSTDHSA-N,"InChI=1S/C13H14O6/c14-9-2-11-10(18-5-19-11)1-6(9)12-7-3-17-13(15)8(7)4-16-12/h1-2,7-8,12-15H,3-5H2/t7-,8-,12+,13-/m0/s1",Oc1cc2c(cc1[C@H]1OC[C@H]3[C@@H]1CO[C@@H]3O)OCO2,C13H14O6,,266.079038168,WQXKWXBSRXGYLX,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Sesamum indicum,504628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Pedaliaceae'],['Unknown'],['Sesamum'],['Sesamum indicum'],3,3,5.634660243988037 18027,1590,729,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,9.5 18028,1590,729,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,9.5 18029,1589,233,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SBKHBPAOTDHFBN-UHFFFAOYSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)",CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C2CC1,C18H24O11,pos_1_1sodium,416.131861588,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 18030,1589,233,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1sodium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 18031,1589,233,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SBKHBPAOTDHFBN-UHFFFAOYSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)",CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C2CC1,C18H24O11,pos_1_1sodium,416.131861588,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,3,7.5 18032,1589,233,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1sodium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,3,7.5 18033,1588,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,SBKHBPAOTDHFBN-UHFFFAOYSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)",CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C2CC1,C18H24O11,pos_1_1proton1ammonium,416.131861588,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 18034,1588,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1proton1ammonium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 18035,1588,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,SBKHBPAOTDHFBN-UHFFFAOYSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)",CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C2CC1,C18H24O11,pos_1_1proton1ammonium,416.131861588,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Sanguisorba alpina,963228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Sanguisorba'],['Sanguisorba alpina'],6,0,6.0 18036,1588,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1proton1ammonium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rubus ellipticus var. obcordatus,721763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ellipticus'],6,0,6.0 18037,1587,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.25057057,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Thujopsis dolabrata,665925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thujopsis'],['Thujopsis dolabrata'],5,3,7.50228226184845 18038,1586,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6354551,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,10.041820287704468 18039,1586,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6354551,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne pruinosa,716859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne pruinosa'],6,3,10.041820287704468 18040,1586,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6354551,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera pipericarpa,6026506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera pipericarpa'],6,3,10.041820287704468 18041,1586,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6354551,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe grandis,6027646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe grandis'],6,3,10.041820287704468 18042,1586,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6354551,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,3,10.041820287704468 18043,1585,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.67220116,ISDB,OOTNKTPCQZXBMI-UHFFFAOYSA-N,"InChI=1S/C18H16O4/c1-4-11-7-13-10-15(22-18(13)17(8-11)21-3)12-5-6-14(19)16(9-12)20-2/h4-10,19H,1H2,2-3H3",C=Cc1cc(OC)c2oc(-c3ccc(O)c(OC)c3)cc2c1,C18H16O4,,296.10485899199995,OOTNKTPCQZXBMI,Shikimates and Phenylpropanoids,Lignans,,Litsea acutivena,18346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea acutivena'],6,0,8.688804626464844 18044,1584,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UVZXIKHRPFCSKF-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(25-15-27)20-8-9-21-19-7-6-17-14-18(26(4)5)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@H](NC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C,C24H42N2O,pos_2_2proton,374.329713964,UVZXIKHRPFCSKF,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 18045,1584,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,pos_2_2proton,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 18046,1584,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,pos_2_2proton,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 18047,1582,799,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 18048,1581,-1,,,,0.0,MS1_match,LGPUIKWJKFIAIH-LJKDYDQHSA-N,"InChI=1S/C26H30N2O12/c27-9-15(13-5-2-1-3-6-13)38-26-23(34)21(32)19(30)17(40-26)12-37-25-22(33)20(31)18(29)16(39-25)11-36-24(35)14-7-4-8-28-10-14/h1-8,10,15-23,25-26,29-34H,11-12H2/t15-,16+,17+,18+,19+,20-,21-,22+,23+,25+,26+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C26H30N2O12,pos_2_1calcium,562.1798743999999,LGPUIKWJKFIAIH,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 18049,1580,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1sodium1acetonitrile,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 18050,1578,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,UNPNZVOVXZXVPA-UHFFFAOYSA-N,"InChI=1S/C16H24O8/c1-8(2-3-9-4-5-10(18)11(19)6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,8,12-22H,2-3,7H2,1H3",CC(CCc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C16H24O8,pos_1_1proton1ammonium,344.147117728,UNPNZVOVXZXVPA,,,,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 18051,1578,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,JDTIMXKVYWJWHE-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c1-19-7-3-8(20-2)5-9(4-7)21-14-13(18)12(17)11(16)10(6-15)22-14/h3-5,10-18H,6H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1",COc1cc(OC)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H20O8,pos_1_1proton1ethylamine,316.1158176,JDTIMXKVYWJWHE,Polyketides,Phloroglucinols,Acyl phloroglucinols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 18052,1577,-1,,,,0.0,MS1_match,OGYSYXDNLPNNPW-UHFFFAOYSA-N,"InChI=1S/C8H14O4/c1-2-3-6-12-8(11)5-4-7(9)10/h2-6H2,1H3,(H,9,10)",CCCCOC(=O)CCC(=O)O,C8H14O4,pos_2MNa,174.089208928,OGYSYXDNLPNNPW,Fatty acids,Fatty esters,Wax monoesters,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,0,6.0 18053,1575,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.47791407,ISDB,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,7.9116562604904175 18054,1575,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.47791407,ISDB,ZROQUMPZTDXHBC-NLGFINLOSA-N,"InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H42N2O,,374.329713964,ZROQUMPZTDXHBC,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,7.9116562604904175 18055,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola crenulata,1024602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola crenulata'],5,0,6.821953296661377 18056,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola semenovii,668902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola semenovii'],5,0,6.821953296661377 18057,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sedum sediforme,595187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sediforme'],5,0,6.821953296661377 18058,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sedum crassularia,595187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sediforme'],5,0,6.821953296661377 18059,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-UHFFFAOYSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2",O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Distylium racemosum,615343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Distylium'],['Distylium racemosum'],5,0,6.821953296661377 18060,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola heterodonta,762829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola heterodonta'],5,0,6.821953296661377 18061,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Sempervivum tectorum,286742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sempervivum'],['Sempervivum tectorum'],5,0,6.821953296661377 18062,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola sacra,311049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sacra'],5,0,6.821953296661377 18063,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],5,0,6.821953296661377 18064,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hamamelis virginiana,60713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Hamamelis'],['Hamamelis virginiana'],5,0,6.821953296661377 18065,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-WIYYLYMNSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959998,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhodiola kirilowii,311039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola kirilowii'],5,0,6.821953296661377 18066,1574,-1,,,,0.45548832,ISDB,WMBWREPUVVBILR-NQIIRXRSSA-N,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H18O11,,458.0849113959999,WMBWREPUVVBILR,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Paeonia lactiflora,352877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia lactiflora'],5,0,6.821953296661377 18067,1573,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1ammonium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,7.5 18068,1573,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1ammonium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 18069,1573,231,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,VZBPOJAXRHFNRT-IKNZJXHLSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)28)21(30)20(36-17-7-4-13(3-2-8-26)9-16(17)29)12-35-25-24(33)23(32)22(31)19(11-27)37-25/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1proton1ammonium,526.205026528,VZBPOJAXRHFNRT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,3,7.5 18070,1571,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4206312,ISDB,KUODBSWFMJMVJV-NFJBMHMQSA-N,"InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26-,27-,28-,29-/m1/s1",Oc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1,C30H26O11,,562.147511652,KUODBSWFMJMVJV,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],6,3,9.182524800300598 18071,1570,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1acetonitrile,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18072,1570,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BJDBLZLWPJZWEU-IISIZDQGSA-N,"InChI=1S/C25H37NO/c1-7-16-17(27)14-23(5)19-9-8-18-21(2,3)20(26-6)10-11-24(18)15-25(19,24)13-12-22(16,23)4/h7,9,18,20,26H,8,10-15H2,1-6H3/b16-7+/t18-,20-,22+,23-,24+,25-/m0/s1",C/C=C1\C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C25H37NO,pos_1_1proton1ammonium,367.287514804,BJDBLZLWPJZWEU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18073,1570,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PHBLQXXYZFXKQX-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)27)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)26(5)6/h9,18,20-21H,1,7-8,10-15H2,2-6H3",C=C1C(N(C)C)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H37NO,pos_1_1proton1ammonium,367.287514804,PHBLQXXYZFXKQX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18074,1570,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PHBLQXXYZFXKQX-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)27)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)26(5)6/h9,18,20-21H,1,7-8,10-15H2,2-6H3",C=C1C(N(C)C)CCC23CC24CCC2(C)C(C(C)=O)=CCC2(C)C4CCC13,C25H37NO,pos_1_1proton1ammonium,367.287514804,PHBLQXXYZFXKQX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18075,1570,99,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZISLXYPNMCQAMV-UHFFFAOYSA-N,"InChI=1S/C25H37NO/c1-16(27)19-12-14-25(5)21-9-8-20-17(7-10-22(26-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h7,11-12,20-22,26H,8-10,13-15H2,1-6H3",CNC1CC=C2CC3=CCC4(C)C(C(C)=O)=CCC4(C)C3CCC2C1(C)C,C25H37NO,pos_1_1proton1ammonium,367.287514804,ZISLXYPNMCQAMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18076,1568,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1sodium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 18077,1568,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1sodium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 18078,1568,-1,,,,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1sodium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,0,7.0 18079,1568,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1sodium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 18080,1568,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1sodium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 18081,1568,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1sodium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,0,7.0 18082,1568,-1,,,,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1sodium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 18083,1567,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,8.5 18084,1567,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,8.5 18085,1567,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSBUXLDOLNLABB-ISAKITKMSA-N,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720002,FSBUXLDOLNLABB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia sieboldii,256712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia sieboldii'],7,3,8.5 18086,1567,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 18087,1567,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 18088,1567,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MGCIVWNKCIWQHX-UHFFFAOYSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 18089,1567,39,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MGCIVWNKCIWQHX-QPJJXVBHSA-N,"InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+",CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720001,MGCIVWNKCIWQHX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,3,8.5 18090,1565,271,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.20049934,ISDB,CTGMCYNSUYQXFH-FVOPLDGLSA-N,"InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-13(17)23-12(15(19)20)8-14(18)22-2/h3-7,12,16H,8H2,1-2H3,(H,19,20)/b6-4+/t12-/m1/s1",COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)O,C15H16O8,,324.084517472,CTGMCYNSUYQXFH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,3,6.301997363567352 18091,1564,1709,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7877188,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.650875091552734 18092,1564,1709,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7877188,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.650875091552734 18093,1562,-1,,,,0.759146,ISDB,RGADTGZXHGYDQJ-LTZKVTMUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6+/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C/C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus balearica,572096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus balearica'],7,0,10.03658390045166 18094,1562,-1,,,,0.759146,ISDB,RGADTGZXHGYDQJ-LFHBMCRUSA-N,"InChI=1S/C24H35NO/c1-6-16-19(26)13-22(4)20-8-7-17-15(2)18(25-5)9-10-23(17)14-24(20,23)12-11-21(16,22)3/h6,17-18,20,25H,2,7-14H2,1,3-5H3/b16-6-/t17-,18-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)/C(=C\C)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H35NO,,353.27186474000007,RGADTGZXHGYDQJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,10.03658390045166 18095,1560,-1,,,,0.0,MS1_match,SMKZFVZXPZJPFK-RYNJIZPOSA-N,"InChI=1S/C25H41NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-18,20,26-27H,7-14H2,1-6H3/t15-,16-,17+,18+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C,C25H41NO2,pos_1_1proton1ammonium,387.313729552,SMKZFVZXPZJPFK,Terpenoids,Steroids,Pregnane steroids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 18096,1560,-1,,,,0.0,MS1_match,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,pos_1_1proton1ammonium,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,7.0 18097,1558,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KLLYDTMVSVIJEH-PQZGBVCXSA-N,"InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9-,12+,13+,14-,15+,16+/m0/s1",C[C@@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.1522031079999,KLLYDTMVSVIJEH,Shikimates and Phenylpropanoids,,,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,1,6.5 18098,1558,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,KLLYDTMVSVIJEH-YYMOATHLSA-N,"InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1",C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O7,pos_1_1proton1ammonium,328.1522031079999,KLLYDTMVSVIJEH,Shikimates and Phenylpropanoids,,,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,1,6.5 18099,1557,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 18100,1557,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 18101,1557,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 18102,1557,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 18103,1556,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 18104,1556,-1,,,,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 18105,1556,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 18106,1555,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18107,1555,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18108,1555,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18109,1555,-1,,,,0.0,MS1_match,CZOXIGOPZRIBJM-JUIPTLLLSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H]1O,C21H22O12,pos_1_1sodium,466.111126144,CZOXIGOPZRIBJM,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18110,1554,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18111,1554,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18112,1554,-1,,,,0.0,MS1_match,BJAHHJOBSKZTFE-OTHOSUPWSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20+,21-/m1/s1",O=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.111126144,BJAHHJOBSKZTFE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18113,1554,-1,,,,0.0,MS1_match,CZOXIGOPZRIBJM-JUIPTLLLSA-N,"InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H]1O,C21H22O12,pos_1_1proton1ammonium,466.111126144,CZOXIGOPZRIBJM,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18114,1552,-1,,,,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1sodium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 18115,1552,-1,,,,0.0,MS1_match,BGHJPAAKWMIBKL-RRNJGUTDSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)29)24(37-25-23(33)22(32)21(31)19(11-27)36-25)20(12-28)35-17-7-4-13(3-2-8-26)9-16(17)30/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24-,25+/m1/s1",COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1sodium,526.2050265279998,BGHJPAAKWMIBKL,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 18116,1552,-1,,,,0.0,MS1_match,VZBPOJAXRHFNRT-IKNZJXHLSA-N,"InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)28)21(30)20(36-17-7-4-13(3-2-8-26)9-16(17)29)12-35-25-24(33)23(32)22(31)19(11-27)37-25/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22-,23+,24-,25-/m1/s1",COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(CCCO)cc2O)ccc1O,C25H34O12,pos_1_1sodium,526.205026528,VZBPOJAXRHFNRT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 18117,1551,-1,,,,0.0,MS1_match,AOYBQYSCAFDMNF-DSVUQQCSSA-N,"InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)24-5)9-6-10-21(18,4)19(22)23/h7,11,13,16-18H,6,8-10,12H2,1-5H3,(H,22,23)/t16-,17-,18-,20+,21+/m0/s1",CO[C@H]1C[C@H]2C(=CC[C@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C=C1C(C)C,C21H32O3,pos_1_minus1proton1iron,332.235144884,AOYBQYSCAFDMNF,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.0 18118,1550,-1,,,,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18119,1546,104,Terpenoids,Steroids,Pregnane steroids,0.67623144,ISDB,HIRCZOSUMSSTDU-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h5-7,12H,8-10H2,1-4H3",CC1=CCC2(C)CC=CC(C)(C)C23CC13,C15H22,,202.172150704,HIRCZOSUMSSTDU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,1,7.204925775527954 18120,1545,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,XKLBSFHFNUCCKY-UXYMEOMDSA-N,"InChI=1S/C26H34O10/c1-12(27)33-18-8-9-23(4,5)26(32)22(35-14(3)29)21(34-13(2)28)20-16(24(18,26)6)10-17-15(25(20,7)31)11-19(30)36-17/h10-11,16,18,20-22,31-32H,8-9H2,1-7H3/t16-,18-,20-,21+,22-,24-,25+,26+/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H](C=C3OC(=O)C=C3[C@@]2(C)O)[C@@]2(C)[C@@H](OC(C)=O)CCC(C)(C)[C@]2(O)[C@H]1OC(C)=O,C26H34O10,pos_2MFe,506.2151972879999,XKLBSFHFNUCCKY,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia magnifoliolata,3916144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Caesalpinia'],['Caesalpinia magnifoliolata'],6,3,7.5 18121,1545,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,XKLBSFHFNUCCKY-UXYMEOMDSA-N,"InChI=1S/C26H34O10/c1-12(27)33-18-8-9-23(4,5)26(32)22(35-14(3)29)21(34-13(2)28)20-16(24(18,26)6)10-17-15(25(20,7)31)11-19(30)36-17/h10-11,16,18,20-22,31-32H,8-9H2,1-7H3/t16-,18-,20-,21+,22-,24-,25+,26+/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H](C=C3OC(=O)C=C3[C@@]2(C)O)[C@@]2(C)[C@@H](OC(C)=O)CCC(C)(C)[C@]2(O)[C@H]1OC(C)=O,C26H34O10,pos_2MFe,506.2151972879999,XKLBSFHFNUCCKY,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia minax,35434.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Caesalpinia'],['Caesalpinia minax'],6,3,7.5 18122,1544,104,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18123,1543,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,3,8.5 18124,1543,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,3,8.5 18125,1542,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton1ammonium,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 18126,1542,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton1ammonium,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 18127,1541,-1,,,,0.0,MS1_match,QAOBEOXFSUJDJL-UHFFFAOYSA-O,"InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1",O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(C[O+]=C(O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)cc1-2,C30H27O13+,pos_2_2proton1ammonium,595.14461734409,QAOBEOXFSUJDJL,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 18128,1541,-1,,,,0.0,MS1_match,QAOBEOXFSUJDJL-UHFFFAOYSA-O,"InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1",O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(C[O+]=C(O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)cc1-2,C30H27O13+,pos_2_2proton1ammonium,595.14461734409,QAOBEOXFSUJDJL,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,0,6.0 18129,1541,-1,,,,0.0,MS1_match,QAOBEOXFSUJDJL-UHFFFAOYSA-O,"InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1",O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(C[O+]=C(O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)cc1-2,C30H27O13+,pos_2_2proton1ammonium,595.14461734409,QAOBEOXFSUJDJL,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],6,0,6.0 18130,1541,-1,,,,0.0,MS1_match,QAOBEOXFSUJDJL-UHFFFAOYSA-O,"InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1",O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(C[O+]=C(O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)cc1-2,C30H27O13+,pos_2_2proton1ammonium,595.14461734409,QAOBEOXFSUJDJL,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,0,6.0 18131,1540,1289,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 18132,1540,1289,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,7.5 18133,1540,1289,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,3,7.5 18134,1540,1289,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,3,7.5 18135,1539,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 18136,1539,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18137,1538,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6323582,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,8.029432773590088 18138,1538,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.6323582,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,8.029432773590088 18139,1537,-1,,,,0.5725998,ISDB,PNSYSPPIOSIJCG-RXKWGBCNSA-N,"InChI=1S/C10H18O3/c1-6-8(11)5-7-3-4-13-10(12-2)9(6)7/h6-11H,3-5H2,1-2H3/t6-,7-,8-,9+,10+/m0/s1",CO[C@@H]1OCC[C@H]2C[C@H](O)[C@H](C)[C@H]21,C10H18O3,,186.125594436,PNSYSPPIOSIJCG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Alstonia scholaris,749453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia scholaris'],3,0,5.2903993129730225 18140,1536,-1,,,,0.3486109,ISDB,NTLJTUMJJWVCTL-UHFFFAOYSA-N,"InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3",CCCCCCC#CC(=O)OC,C10H16O2,,168.115029752,NTLJTUMJJWVCTL,Fatty acids,Fatty esters,Wax monoesters,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],3,0,4.39444363117218 18141,1535,131,Terpenoids,Diterpenoids,Abietane diterpenoids,0.5387761,ISDB,ZSNVIQKNRQISIB-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-2-8(7-10)9-3-5-11-6-4-9/h2-3,5,8-10H,1,4,6-7H2",C=CC(CO)C1C=COCC1,C9H14O2,,154.099379688,ZSNVIQKNRQISIB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Swertia japonica,774409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Swertia'],['Swertia japonica'],3,1,5.655104398727417 18142,1534,-1,,,,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1sodium,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18143,1534,-1,,,,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1sodium,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18144,1534,-1,,,,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1sodium,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18145,1533,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1proton1ammonium,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18146,1533,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1proton1ammonium,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18147,1533,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,XUCIJNAGGSZNQT-JHSLDZJXSA-N,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C20H27NO11,pos_1_1proton1ammonium,457.1584106839998,XUCIJNAGGSZNQT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18148,1531,70,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18149,1529,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3729536,ISDB,WTDIVRQKBMYARS-SGWFRJGYSA-N,"InChI=1S/C37H30O17/c38-15-1-2-16-26(9-15)52-35(13-5-22(43)31(48)23(44)6-13)33(50)28(16)29-19(40)11-18(39)17-10-27(53-37(51)14-7-24(45)32(49)25(46)8-14)34(54-36(17)29)12-3-20(41)30(47)21(42)4-12/h1-9,11,27-28,33-35,38-50H,10H2/t27-,28+,33+,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4ccc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O17,,746.1482995000002,WTDIVRQKBMYARS,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Stryphnodendron adstringens,386248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Stryphnodendron'],['Stryphnodendron adstringens'],0,3,2.991814374923706 18150,1527,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27840626,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,8.613625049591064 18151,1527,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27840626,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.613625049591064 18152,1527,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27840626,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.613625049591064 18153,1527,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27840626,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.613625049591064 18154,1527,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27840626,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,8.613625049591064 18155,1527,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27840626,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.613625049591064 18156,1526,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.22847953,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.413918137550354 18157,1526,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.22847953,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,8.413918137550354 18158,1526,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.22847953,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,8.413918137550354 18159,1526,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.22847953,ISDB,MOJZMWJRUKIQGL-FQVWZTFVSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38-,39-,40-,41+,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,8.413918137550354 18160,1526,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.22847953,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,8.413918137550354 18161,1526,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.22847953,ISDB,MOJZMWJRUKIQGL-POEQRLLMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,8.413918137550354 18162,1526,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.22847953,ISDB,MOJZMWJRUKIQGL-POEQRLLMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,8.413918137550354 18163,1525,-1,,,,0.0,MS1_match,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",CCC(C)C(=O)O,C5H10O2,pos_2MNa,102.06807956,WLAMNBDJUVNPJU,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Thuja occidentalis,463720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thuja'],['Thuja occidentalis'],7,0,7.0 18164,1524,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 18165,1524,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 18166,1524,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 18167,1524,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 18168,1521,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74166805,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.46667218208313 18169,1521,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74166805,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.46667218208313 18170,1521,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74166805,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.46667218208313 18171,1521,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74166805,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.46667218208313 18172,1521,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74166805,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.46667218208313 18173,1521,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74166805,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.46667218208313 18174,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Peltogyne confertiflora,795011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Detarieae'],['Peltogyne'],['Peltogyne confertiflora'],4,3,7.99772047996521 18175,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Aesculus turbinata,332616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus turbinata'],4,3,7.99772047996521 18176,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ocotea odorifera,495879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea odorifera'],4,3,7.99772047996521 18177,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Acer nikoense,764651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Acereae'],['Acer'],['Acer maximowiczianum'],4,3,7.99772047996521 18178,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Parthenocissus tricuspidata,417328.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Parthenocisseae'],['Parthenocissus'],['Parthenocissus tricuspidata'],4,3,7.99772047996521 18179,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Gutierrezia sphaerocephala,3898456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia sphaerocephala'],4,3,7.99772047996521 18180,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhododendron tomentosum,945421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron tomentosum'],4,3,7.99772047996521 18181,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhododendron groenlandicum,649881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Rhododendron groenlandicum'],4,3,7.99772047996521 18182,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha ciliata,3914323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha ciliata'],4,3,7.99772047996521 18183,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Peltogyne venosa,698931.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Detarieae'],['Peltogyne'],['Peltogyne venosa'],4,3,7.99772047996521 18184,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Protium heptaphyllum,645420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Protium'],['Protium heptaphyllum'],4,3,7.99772047996521 18185,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus pallisiae,272107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus pallisae'],4,3,7.99772047996521 18186,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus excelsior,671802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus excelsior'],4,3,7.99772047996521 18187,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Haplophyllum obtusifolium,762592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum obtusifolium'],4,3,7.99772047996521 18188,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus ornus,671798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus ornus'],4,3,7.99772047996521 18189,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],4,3,7.99772047996521 18190,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Salsola laricifolia,623572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Salsola'],['Salsola laricifolia'],4,3,7.99772047996521 18191,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Santolina pinnata,652099.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Santolina'],['Santolina pinnata'],4,3,7.99772047996521 18192,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus longicuspis,846454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus longicuspis'],4,3,7.99772047996521 18193,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mondia whitei,475399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Unknown'],['Mondia'],['Mondia whitei'],4,3,7.99772047996521 18194,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus floribunda,883339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus floribunda'],4,3,7.99772047996521 18195,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Campanula dolomitica,988502.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Campanula'],['Campanula dolomitica'],4,3,7.99772047996521 18196,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Bupleurum fruticosum,49592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum fruticosum'],4,3,7.99772047996521 18197,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pulicaria wightiana,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],4,3,7.99772047996521 18198,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pelargonium sidoides,5516854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Pelargonium'],['Pelargonium sidoides'],4,3,7.99772047996521 18199,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Arivela viscosa,500051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Cleomaceae'],['Unknown'],['Corynandra'],['Corynandra viscosa'],4,3,7.99772047996521 18200,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Aesculus hippocastanum,404238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Hippocastaneae'],['Aesculus'],['Aesculus hippocastanum'],4,3,7.99772047996521 18201,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon purpurascens,5921004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon purpurascens'],4,3,7.99772047996521 18202,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus bungeana,308670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus bungeana'],4,3,7.99772047996521 18203,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus chinensis,846439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus chinensis'],4,3,7.99772047996521 18204,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha glandulifera,610113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha glandulifera'],4,3,7.99772047996521 18205,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Fraxinus mandshurica,272095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Fraxinus'],['Fraxinus mandshurica'],4,3,7.99772047996521 18206,1519,602,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6244301,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Licaria aurea,6026397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria aurea'],4,3,7.99772047996521 18207,1517,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MHNH3,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 18208,1517,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MHNH3,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,0,8.0 18209,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 18210,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,0,6.0 18211,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 18212,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-KQJANQFBSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",O[C@H]1[C@@H](O)[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],6,0,6.0 18213,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-KQJANQFBSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",O[C@H]1[C@@H](O)[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],6,0,6.0 18214,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium platanifolium var. trilobum,7593708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 18215,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 18216,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,0,6.0 18217,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 18218,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-KQJANQFBSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",O[C@H]1[C@@H](O)[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Alangium salviifolium,691409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium salviifolium'],6,0,6.0 18219,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-KQJANQFBSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1",O[C@H]1[C@@H](O)[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H]1O,C18H26O10,pos_1_1sodium,402.152597032,WOGBNISMMIOPAZ,,,,Alangium lamarckii,7593706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium lamarckii'],6,0,6.0 18220,1516,-1,,,,0.0,MS1_match,WOGBNISMMIOPAZ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C18H26O10,pos_1_1sodium,402.1525970319998,WOGBNISMMIOPAZ,,,,Alangium platanifolium var. trilobum,7593708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,0,6.0 18221,1516,-1,,,,0.0,MS1_match,CKZPWPRHWOEACS-PDBDJCPPSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(25)18(28-11,27-7-9-4-2-1-3-5-9)17-15(24)12(21)10(20)8-26-17/h1-5,10-17,19-25H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17-,18+/m1/s1",OC[C@H]1O[C@](OCc2ccccc2)([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1sodium,402.152597032,CKZPWPRHWOEACS,Shikimates and Phenylpropanoids,,,Alangium premnifolium,6045450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium premnifolium'],6,0,6.0 18222,1515,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1ethylamine,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 18223,1515,419,Shikimates and Phenylpropanoids,Pseudoalkaloids,Cytochalasan alkaloids,0.0,MS1_match,HEYZWPRKKUGDCR-QBXMEVCASA-N,"InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O,C16H22O10,pos_1_1proton1ethylamine,374.1212969039999,HEYZWPRKKUGDCR,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 18224,1514,-1,,,,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_1_1proton1methanol,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18225,1514,-1,,,,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18226,1513,600,Alkaloids,Fatty amides,N-acyl amines,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_2_2proton1ammonium,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,1,8.5 18227,1513,600,Alkaloids,Fatty amides,N-acyl amines,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_2_2proton1ammonium,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,1,8.5 18228,1511,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-YJDQBUFVSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O,C16H18O10,pos_1_1sodium,370.089996776,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 18229,1511,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-YJDQBUFVSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O,C16H18O10,pos_1_1sodium,370.089996776,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 18230,1511,-1,,,,0.0,MS1_match,YGUOVYPTEHMXAZ-HMXKMONRSA-N,"InChI=1S/C16H18O10/c1-23-14-6-2-3-10(19)24-8(6)4-7(18)15(14)26-16-13(22)12(21)11(20)9(5-17)25-16/h2-4,9,11-13,16-18,20-22H,5H2,1H3/t9-,11-,12+,13-,16+/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)cc2oc(=O)ccc12,C16H18O10,pos_1_1sodium,370.089996776,YGUOVYPTEHMXAZ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 18231,1506,-1,,,,0.65091145,ISDB,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.60364580154419 18232,1504,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.5942836,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,3,9.877134323120117 18233,1504,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.5942836,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne pruinosa,716859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne pruinosa'],6,3,9.877134323120117 18234,1504,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.5942836,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera pipericarpa,6026506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera pipericarpa'],6,3,9.877134323120117 18235,1504,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.5942836,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe grandis,6027646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe grandis'],6,3,9.877134323120117 18236,1504,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.5942836,ISDB,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,3,9.877134323120117 18237,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,3,9.152484059333801 18238,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Guazuma ulmifolia,526994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Guazuma'],['Guazuma ulmifolia'],6,3,9.152484059333801 18239,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.152484059333801 18240,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,9.152484059333801 18241,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,3,9.152484059333801 18242,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.152484059333801 18243,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,3,9.152484059333801 18244,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cola nitida,550770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Cola'],['Cola nitida'],6,3,9.152484059333801 18245,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cola acuminata,1053097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Cola'],['Cola acuminata'],6,3,9.152484059333801 18246,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,9.152484059333801 18247,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.152484059333801 18248,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,3,9.152484059333801 18249,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,9.152484059333801 18250,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,9.152484059333801 18251,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,9.152484059333801 18252,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,9.152484059333801 18253,1503,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.413121,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cryptocarya obovata,706090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya obovata'],6,3,9.152484059333801 18254,1501,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 18255,1501,-1,,,,0.0,MS1_match,QMZKBAQNFAMESG-GBMAXXPESA-N,"InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1",C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1,C21H32O2,pos_1_minus1proton1iron,316.240230264,QMZKBAQNFAMESG,Terpenoids,Diterpenoids,Pimarane and Isopimarane diterpenoids,Pinus sylvestris var. hamata,713579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 18256,1497,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.7618661,ISDB,KJXSIXMJHKAJOD-LSDHHAIUSA-N,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O,C15H12O8,,320.0532173439999,KJXSIXMJHKAJOD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,3,10.547464370727539 18257,1494,-1,,,,0.0,MS1_match,IKXFGEKULKZDCJ-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8(6)9(15)5-3-7(14)12(17)18-11(5)10(4)16/h3,14-16H,1-2H2",O=C1CCc2c1c(O)c1cc(O)c(=O)oc1c2O,C12H8O6,pos_1_1proton1isopropanol,248.032087976,IKXFGEKULKZDCJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rubus corchorifolius,896742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus corchorifolius'],6,0,6.0 18258,1493,1419,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_2_2proton1ammonium,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18259,1492,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44452554,ISDB,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,9.278102159500122 18260,1492,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44452554,ISDB,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.278102159500122 18261,1492,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44452554,ISDB,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.278102159500122 18262,1492,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44452554,ISDB,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,3,9.278102159500122 18263,1492,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44452554,ISDB,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,9.278102159500122 18264,1492,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44452554,ISDB,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,9.278102159500122 18265,1492,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44452554,ISDB,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,9.278102159500122 18266,1491,-1,,,,0.0,MS1_match,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,pos_1_1proton1ammonium,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 18267,1490,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 18268,1490,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 18269,1490,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 18270,1490,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 18271,1490,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-GRARQNNCSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21+/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.10564684,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 18272,1490,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 18273,1490,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-UHFFFAOYSA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 18274,1490,-1,,,,0.0,MS1_match,ZCOLJUOHXJRHDI-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O10,pos_1_1proton,432.1056468399999,ZCOLJUOHXJRHDI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 18275,1490,-1,,,,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,0,8.0 18276,1490,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 18277,1490,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 18278,1490,-1,,,,0.0,MS1_match,PMWOCSJXZDDAPR-JFQSVRQGSA-N,"InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3/t8-,17+,18-,19-,21-/m0/s1",C[C@H](O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H]1O,C21H20O10,pos_1_1proton,432.10564684,PMWOCSJXZDDAPR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus speciosa,937985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus speciosa'],8,0,8.0 18279,1490,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 18280,1490,-1,,,,0.0,MS1_match,ZFPMFULXUJZHFG-QNDFHXLGSA-N,"InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,ZFPMFULXUJZHFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 18281,1490,-1,,,,0.0,MS1_match,TXLQONQJSWSJJX-CMWLGVBASA-N,"InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12,C21H20O10,pos_1_1proton,432.1056468399998,TXLQONQJSWSJJX,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 18282,1489,-1,,,,0.26323256,ISDB,QRFZGLTZLZZHCM-VAFJUPRQSA-N,"InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60-,61-,62+,63+,64-,65+,66+,67-,68-,69-,70?,71-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H62O30,,1442.332590584,QRFZGLTZLZZHCM,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,0,7.052930235862732 18283,1488,1859,Terpenoids,Nicotinic acid alkaloids,Fatty alcohols,0.42126384,ISDB,CXEBHAGFESHWNA-RJJWMSMHSA-N,"InChI=1S/C24H29NO7/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25(31)23(18)29)24(30)8-7-16(26)21-22(24)32-21/h3-5,10,12-14,16-17,21-22,26-27,30-31H,6-9H2,1-2H3/t12-,13-,14-,16-,17-,21-,22-,24+/m0/s1",CC1=CC[C@@H]2[C@@H](C(=O)c3c(O)c([C@]4(O)CC[C@H](O)[C@@H]5O[C@@H]54)cn(O)c3=O)[C@@H](C)C=C[C@H]2C1,C24H29NO7,,443.194402268,CXEBHAGFESHWNA,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Coniochaeta cephalothecoides,3700173.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Coniochaetales'],['Coniochaetaceae'],['Unknown'],['Coniochaeta'],['Coniochaeta cephalothecoides'],1,2,3.685055375099182 18284,1487,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.74992645,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,3,11.499705791473389 18285,1486,-1,,,,0.29984838,ISDB,,,,,,,JETWTJJKCQERGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1993935108184814 18286,1485,-1,,,,0.764465,ISDB,WCVUIHQUPRXYKT-RGCIIANRSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,7.057859897613525 18287,1485,-1,,,,0.764465,ISDB,WCVUIHQUPRXYKT-GWQNOCNDSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],4,0,7.057859897613525 18288,1485,-1,,,,0.764465,ISDB,WCVUIHQUPRXYKT-GWQNOCNDSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],4,0,7.057859897613525 18289,1485,-1,,,,0.764465,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Genista numidica,1022926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista numidica'],4,0,7.057859897613525 18290,1485,-1,,,,0.764465,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Ononis arvensis,1072859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis arvensis'],4,0,7.057859897613525 18291,1485,-1,,,,0.764465,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Herniaria glabra,300043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Herniaria glabra'],4,0,7.057859897613525 18292,1483,208,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 18293,1483,208,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 18294,1482,-1,,,,0.30164698,ISDB,CZYPGTRKJFYXLT-SUHXYMONSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.2097179839999,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,0,6.206587910652161 18295,1482,-1,,,,0.30164698,ISDB,CZYPGTRKJFYXLT-SUHXYMONSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.2097179839999,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],5,0,6.206587910652161 18296,1481,-1,,,,0.0,MS1_match,BHBZNQCZKUGKCJ-RKDXNWHRSA-N,"InChI=1S/C9H19N/c1-3-5-9-7-4-6-8(2)10-9/h8-10H,3-7H2,1-2H3/t8-,9-/m1/s1",CCC[C@@H]1CCC[C@@H](C)N1,C9H19N,pos_1_1proton,141.151749608,BHBZNQCZKUGKCJ,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 18297,1480,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.5101889,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],7,2,10.0407555103302 18298,1480,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.5101889,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],7,2,10.0407555103302 18299,1478,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.4280742,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver glaucum,84040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver glaucum'],4,3,7.212296843528748 18300,1478,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.4280742,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],4,3,7.212296843528748 18301,1478,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.4280742,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],4,3,7.212296843528748 18302,1478,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.4280742,ISDB,XYWRZQQANNOTTD-SVFBPWRDSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3/t18-,19+,21-/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],4,3,7.212296843528748 18303,1478,2104,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.4280742,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],4,3,7.212296843528748 18304,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper glaberrimum,6030786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper glaberrimum'],4,3,6.442060232162476 18305,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,3,6.442060232162476 18306,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Cissampelos glaberrima,5727731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Cissampelos'],['Cissampelos glaberrima'],4,3,6.442060232162476 18307,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum gilletii,4728649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum gilletii'],4,3,6.442060232162476 18308,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper arboreum,167786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper arboreum'],4,3,6.442060232162476 18309,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,3,6.442060232162476 18310,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum clava-herculis,3942437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum clava-herculis'],4,3,6.442060232162476 18311,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-NMMTYZSQSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6-,9-8+",CCC/C=C\C=C\C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,3,6.442060232162476 18312,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum zanthoxyloides,6125784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum zanthoxyloides'],4,3,6.442060232162476 18313,1477,600,Alkaloids,Fatty amides,N-acyl amines,0.23551506,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,3,6.442060232162476 18314,1476,-1,,,,0.0,MS1_match,DAQJYUCPSHWKIR-RCOKLKMLSA-N,"InChI=1S/C25H35NO/c1-6-16-12-25-14-19(25)17-13-24(11-9-21(26-5)22(24,2)3)10-7-8-18(17)23(25,4)15-20(16)27/h7-8,10,13,16,19,21,26H,6,9,11-12,14-15H2,1-5H3/t16-,19+,21-,23-,24-,25+/m0/s1",CC[C@H]1C[C@@]23C[C@@H]2C2=C[C@]4(C=CC=C2[C@]3(C)CC1=O)CC[C@H](NC)C4(C)C,C25H35NO,pos_1_1proton1ammonium,365.27186474,DAQJYUCPSHWKIR,Terpenoids,Diterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18315,1475,-1,,,,0.0,MS1_match,XTSAKAIOOOOJPS-OKOXDJDNSA-N,"InChI=1S/C30H26O12/c1-14-24(36)26(38)29(41-22(35)11-4-15-2-7-17(31)8-3-15)30(39-14)42-28-25(37)23-20(34)12-19(33)13-21(23)40-27(28)16-5-9-18(32)10-6-16/h2-14,24,26,29-34,36,38H,1H3/b11-4+/t14-,24-,26+,29+,30-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1O,C30H26O12,pos_1_1sodium,578.142426272,XTSAKAIOOOOJPS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 18316,1472,-1,,,,0.0,MS1_match,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,pos_1_minus1proton1iron,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],7,0,7.0 18317,1471,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,DWBLGIXUYIBEEX-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-3-4-5-8-7(2)6-11-9(8)10/h3-6H2,1-2H3",CCCCC1=C(C)COC1=O,C9H14O2,pos_1_1proton1ethylamine,154.099379688,DWBLGIXUYIBEEX,Polyketides,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 18318,1470,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,0,6.0 18319,1470,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,0,6.0 18320,1469,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.51254714,ISDB,KRGDXHCBNLBSJP-UHFFFAOYSA-N,"InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)22(29)31-19-9-14-15(25)7-13(24)8-18(14)30-21(19)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2",O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1ccc(O)cc1,C22H18O9,,426.095082156,KRGDXHCBNLBSJP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cistus salviifolius,752027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus salviifolius'],3,2,6.0501885414123535 18321,1466,-1,,,,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1ammonium,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18322,1464,-1,,,,0.725167,ISDB,KWRHJZNUZCFLAG-USACIQFYSA-N,"InChI=1S/C17H24O10/c1-24-10-5-8(6-11(25-2)13(10)20)9(19)3-4-26-17-16(23)15(22)14(21)12(7-18)27-17/h5-6,12,14-18,20-23H,3-4,7H2,1-2H3/t12-,14-,15+,16-,17-/m1/s1",COc1cc(C(=O)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C17H24O10,,388.136946968,KWRHJZNUZCFLAG,Shikimates and Phenylpropanoids,,,Smilax glabra,976818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Smilacaceae'],['Unknown'],['Smilax'],['Smilax glabra'],4,0,6.900667905807495 18323,1463,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1proton1methanol,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,3,8.5 18324,1462,2584,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7224212,ISDB,WTVDRHSULHNSJV-KUHUBIRLSA-N,"InChI=1S/C19H23NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4,7,10,14H,5-6,8-9,11H2,1-3H3/t14-,19+/m1/s1",COc1cc2c3c(c1OC)[C@]1(C=CC(=O)CC1)C[C@H]3N(C)CC2,C19H23NO3,,313.167793596,WTVDRHSULHNSJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,3,10.389684915542603 18325,1461,-1,,,,0.58996636,ISDB,,,,,,,PIOQVDYZINXQJT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.359865427017212 18326,1460,666,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.33873844,ISDB,DYRZXVSFXIQNPW-VQVTYTSYSA-N,"InChI=1S/C10H12O5/c1-14-10(13)6-2-8(11)5-3-9(12)15-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7+/m1/s1",COC(=O)[C@H]1CC(=O)[C@@H]2CC(=O)OC[C@H]12,C10H12O5,,212.068473484,DYRZXVSFXIQNPW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Torricellia tiliifolia,823805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Torricelliaceae'],['Unknown'],['Torricellia'],['Torricellia tiliifolia'],4,3,6.854953765869141 18327,1459,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.8050851,ISDB,,,,,,,JUTMAMXOAOYKHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.2203404903411865 18328,1458,-1,,,,0.8143278,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.25731110572815 18329,1457,-1,,,,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],6,0,6.0 18330,1457,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Larix laricina,804263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix laricina'],6,0,6.0 18331,1457,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Larix sibirica,814107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix sibirica'],6,0,6.0 18332,1455,-1,,,,0.7049722,ISDB,DWHCRAGHDDLXEM-UHFFFAOYSA-N,"InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3",CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C23H35NO,,341.27186474,DWHCRAGHDDLXEM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Tetradium ruticarpum,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,0,6.8198888301849365 18333,1455,-1,,,,0.7049722,ISDB,DWHCRAGHDDLXEM-UHFFFAOYSA-N,"InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h14-15,17-19H,3-13,16H2,1-2H3",CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C,C23H35NO,,341.27186474,DWHCRAGHDDLXEM,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Euodia rutaecarpa,976536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Tetradium'],['Tetradium ruticarpum'],4,0,6.8198888301849365 18334,1454,-1,,,,0.9183175,ISDB,XXHSUYNZCSBPBG-GZIDCZEMSA-N,"InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-7-16-20(40)24(44)27(47)32(53-16)50-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(35)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C33H40O22,,788.2011229200003,XXHSUYNZCSBPBG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tribulus terrestris,790024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zygophyllales'],['Zygophyllaceae'],['Unknown'],['Tribulus'],['Tribulus terrestris'],4,0,7.673269987106323 18335,1454,-1,,,,0.9183175,ISDB,XXHSUYNZCSBPBG-GZIDCZEMSA-N,"InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-7-16-20(40)24(44)27(47)32(53-16)50-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(35)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C33H40O22,,788.2011229200003,XXHSUYNZCSBPBG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tribulus pentandrus,3902314.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zygophyllales'],['Zygophyllaceae'],['Unknown'],['Tribulus'],['Tribulus pentandrus'],4,0,7.673269987106323 18336,1453,186,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.79541045,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,12.681641817092896 18337,1451,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,pos_2_2proton,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18338,1450,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,pos_1_1proton,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18339,1450,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,pos_1_1proton1methanol,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18340,1449,-1,,,,0.53517187,ISDB,AYPYUZXAFNVUEC-UHFFFAOYSA-N,"InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3",CCCCCCCCCCCCCCCCCCc1[nH]c2ccccc2c1O,C26H43NO,,385.334464996,AYPYUZXAFNVUEC,Polyketides,Aromatic polyketides,Catechols with side chains,Allium fistulosum,856720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium fistulosum'],4,0,6.140687465667725 18341,1448,285,Alkaloids,Ornithine alkaloids,Polyamines,0.65437007,ISDB,AKIHYQWCLCDMMI-VMPITWQZSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+",N=C(N)NCCCCNC(=O)/C=C/c1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.117480278015137 18342,1448,285,Alkaloids,Ornithine alkaloids,Polyamines,0.65437007,ISDB,AKIHYQWCLCDMMI-UHFFFAOYSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)",N=C(N)NCCCCNC(=O)C=Cc1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,3,8.117480278015137 18343,1447,-1,,,,0.0,MS1_match,HYPXUVMKBGUPSL-KSLPLGTISA-N,"InChI=1S/C30H52O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h20-24,31-32H,8-19H2,1-7H3/t20-,21-,22-,23-,24-,26-,27-,28+,29-,30+/m0/s1",C[C@H]1[C@@H](O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@]21C,C30H52O2,pos_2_2proton2acetonitrile,444.396730904,HYPXUVMKBGUPSL,Terpenoids,Triterpenoids,Friedelane triterpenoids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,6.0 18344,1447,-1,,,,0.0,MS1_match,HYPXUVMKBGUPSL-KSLPLGTISA-N,"InChI=1S/C30H52O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h20-24,31-32H,8-19H2,1-7H3/t20-,21-,22-,23-,24-,26-,27-,28+,29-,30+/m0/s1",C[C@H]1[C@@H](O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@]21C,C30H52O2,pos_2_2proton2acetonitrile,444.396730904,HYPXUVMKBGUPSL,Terpenoids,Triterpenoids,Friedelane triterpenoids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,6.0 18345,1447,-1,,,,0.0,MS1_match,MMRORNBBMJZPIV-ZOCMAZJCSA-N,"InChI=1S/C30H52O2/c1-19-20(31)9-10-21-26(19,4)12-11-22-27(21,5)13-15-30(8)23-17-25(2,3)18-24(32)28(23,6)14-16-29(22,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24+,26+,27-,28+,29+,30-/m0/s1",C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H](O)[C@]3(C)CC[C@]12C,C30H52O2,pos_2_2proton2acetonitrile,444.396730904,MMRORNBBMJZPIV,Terpenoids,Triterpenoids,Friedelane triterpenoids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,6.0 18346,1447,-1,,,,0.0,MS1_match,OFLPXEYYLDOAPP-WXQDRBBESA-N,"InChI=1S/C30H52O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24+,26+,27+,28+,29+,30-/m0/s1",C[C@H]1[C@@H](O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C,C30H52O2,pos_2_2proton2acetonitrile,444.3967309039999,OFLPXEYYLDOAPP,Terpenoids,Triterpenoids,Friedelane triterpenoids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,6.0 18347,1447,-1,,,,0.0,MS1_match,SAMCEJAKBUEDLX-KDLWWFROSA-N,"InChI=1S/C30H52O2/c1-19-20(31)9-10-21-26(19,4)12-11-22-27(21,5)15-16-29(7)23-17-25(2,3)13-14-28(23,6)24(32)18-30(22,29)8/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,26+,27-,28-,29-,30+/m0/s1",C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)[C@@H](O)C[C@]12C,C30H52O2,pos_2_2proton2acetonitrile,444.396730904,SAMCEJAKBUEDLX,Terpenoids,Triterpenoids,Pachysanane triterpenoids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],6,0,6.0 18348,1445,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 18349,1445,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18350,1445,38,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,pos_1_1proton,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 18351,1442,1786,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_1_1proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18352,1440,-1,,,,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18353,1434,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.6514539,ISDB,UDTUCCXZNVRBEJ-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c1-5-2-6(18)10-7(19)3-8(20)11(15(10)24-5)16-14(23)13(22)12(21)9(4-17)25-16/h2-3,9,12-14,16-17,19-23H,4H2,1H3",Cc1cc(=O)c2c(O)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,C16H18O9,,354.095082156,UDTUCCXZNVRBEJ,Polyketides,Chromanes,Chromones,Rubus sanctus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],5,2,8.605815649032593 18354,1434,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.6514539,ISDB,UDTUCCXZNVRBEJ-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c1-5-2-6(18)10-7(19)3-8(20)11(15(10)24-5)16-14(23)13(22)12(21)9(4-17)25-16/h2-3,9,12-14,16-17,19-23H,4H2,1H3",Cc1cc(=O)c2c(O)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,C16H18O9,,354.095082156,UDTUCCXZNVRBEJ,Polyketides,Chromanes,Chromones,Rubus sanguineus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],5,2,8.605815649032593 18355,1431,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,ODHOTFAKXJWQIS-FDTAINNDSA-N,"InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2/t48-,59+,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C75H60O30,pos_1_1proton,1440.31694052,ODHOTFAKXJWQIS,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,7.5 18356,1431,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,ODHOTFAKXJWQIS-FDTAINNDSA-N,"InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2/t48-,59+,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C75H60O30,pos_1_1proton,1440.31694052,ODHOTFAKXJWQIS,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 18357,1431,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MHQGUSXLFCTZRO-CEUGJKJPSA-N,"InChI=1S/C75H60O30/c76-28-16-42(89)50-48(18-28)100-67(24-2-7-32(79)38(85)12-24)63(96)55(50)53-45(92)22-46(93)54-57(65(98)68(102-71(53)54)25-3-8-33(80)39(86)13-25)60-62(95)59-56(52-44(91)21-36(83)30-20-47(94)66(101-70(30)52)23-1-6-31(78)37(84)11-23)64(97)69(26-4-9-34(81)40(87)14-26)103-72(59)61-58-51-43(90)17-29(77)19-49(51)104-75(74(58)99,105-73(60)61)27-5-10-35(82)41(88)15-27/h1-19,21-22,47,55-58,63-69,74,76-99H,20H2/t47-,55-,56+,57-,58-,63-,64-,65-,66-,67-,68-,69-,74-,75+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H60O30,pos_1_1proton,1440.3169405199992,MHQGUSXLFCTZRO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 18358,1429,-1,,,,0.0,MS1_match,RVOWLPGDGHUGHV-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-16-10(18)8-11-12(13(16)19)14(20)17(22-2)15(23-11)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3",COc1c(O)cc2oc(-c3ccccc3)c(OC)c(=O)c2c1O,C17H14O6,pos_1_1proton1ethylamine,314.07903816799995,RVOWLPGDGHUGHV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sorbus pallescens,3903574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus pallescens'],7,0,7.0 18359,1428,1908,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros japonica,472521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros glaucifolia'],7,3,8.5 18360,1428,1908,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros glaucifolia,472521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros glaucifolia'],7,3,8.5 18361,1428,1908,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],7,3,8.5 18362,1428,1908,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros virginiana,525019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros virginiana'],7,3,8.5 18363,1428,1908,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros wallichii,645187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros wallichii'],7,3,8.5 18364,1427,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.75828904,ISDB,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,12.533156156539917 18365,1426,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 18366,1426,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18367,1424,-1,,,,0.0,MS1_match,UKOKENMLXFNPEJ-WOJBJXKFSA-N,"InChI=1S/C20H22O3/c1-11(2)12-6-7-14-13(10-12)15(21)16-17-19(14,3)8-5-9-20(17,4)18(22)23-16/h6-7,10-11H,5,8-9H2,1-4H3/t19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1,C20H22O3,pos_1_1proton1dmso,310.156894564,UKOKENMLXFNPEJ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,6.0 18368,1423,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.66958416,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.17833662033081 18369,1423,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.66958416,ISDB,LHXDLQBQYFFVNW-XCBNKYQSSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C2,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,3,10.17833662033081 18370,1422,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5871261,ISDB,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.848504304885864 18371,1421,-1,,,,0.0,MS1_match,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,pos_1_1proton1ammonium,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 18372,1420,-1,,,,0.5483413,ISDB,,,,,,,HLDOGSJLSGZHGL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1933650970458984 18373,1419,438,Fatty acids,Fatty amides,N-acyl amines,0.3554855,ISDB,BQSJNUCEQQSAKU-CIJIASDJSA-N,"InChI=1S/C17H27NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h4,6-8,11-14,16H,5,9-10,15H2,1-3H3,(H,18,19)/b6-4+,8-7-,12-11+,14-13+/t16-/m0/s1",C/C=C/C=C\CC/C=C/C=C/C(=O)NC[C@@H](C)CC,C17H27NO,,261.209264484,BQSJNUCEQQSAKU,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,3,6.9219419956207275 18374,1419,438,Fatty acids,Fatty amides,N-acyl amines,0.3554855,ISDB,BQSJNUCEQQSAKU-AHWPIVLASA-N,"InChI=1S/C17H27NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h4,6-8,11-14,16H,5,9-10,15H2,1-3H3,(H,18,19)/b6-4+,8-7+,12-11-,14-13+",C/C=C/C=C/CC/C=C\C=C\C(=O)NCC(C)CC,C17H27NO,,261.209264484,BQSJNUCEQQSAKU,Fatty acids,Fatty amides,N-acyl amines,Acmella radicans,151027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella radicans'],4,3,6.9219419956207275 18375,1419,438,Fatty acids,Fatty amides,N-acyl amines,0.3554855,ISDB,BQSJNUCEQQSAKU-AHWPIVLASA-N,"InChI=1S/C17H27NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h4,6-8,11-14,16H,5,9-10,15H2,1-3H3,(H,18,19)/b6-4+,8-7+,12-11-,14-13+",C/C=C/C=C/CC/C=C\C=C\C(=O)NCC(C)CC,C17H27NO,,261.209264484,BQSJNUCEQQSAKU,Fatty acids,Fatty amides,N-acyl amines,Spilanthes radicans,7605630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Spilanthes'],['Spilanthes radicans'],4,3,6.9219419956207275 18376,1417,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,OXUFUKZQFXWGDX-UNFUTHLZSA-N,"InChI=1S/C26H44N2O/c1-16-18-8-9-21-24(4)14-20(29)22(17(2)27-5)23(24,3)12-13-26(21)15-25(18,26)11-10-19(16)28(6)7/h17-22,27,29H,1,8-15H2,2-7H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,26-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C26H44N2O,pos_2_2proton,400.345364028,OXUFUKZQFXWGDX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18377,1417,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,PITOHOVPTPHLBW-DRMMACNFSA-N,"InChI=1S/C26H44N2O/c1-15-19-12-17-9-11-22(28(6)7)25(3,4)20(17)10-8-18(19)13-26(5)14-21(29)23(16(2)27)24(15)26/h9,12,15-16,18,20-24,29H,8,10-11,13-14,27H2,1-7H3/t15-,16-,18-,20-,21-,22-,23+,24-,26+/m0/s1",C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@H]4CC[C@H]3C[C@]2(C)C[C@@H]1O,C26H44N2O,pos_2_2proton,400.345364028,PITOHOVPTPHLBW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18378,1417,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AJPLABZESIJHMG-OTKPAKDNSA-N,"InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1",C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H44N2O,pos_2_2proton,400.345364028,AJPLABZESIJHMG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18379,1417,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HHRXHLXZXPRKOE-WSYJSIOHSA-N,"InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C,C26H41NO,pos_2_2proton1ammonium,383.31881493200007,HHRXHLXZXPRKOE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18380,1414,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.33860672,ISDB,COYFDKDZYZEKML-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-6-9(13)3-8-7(4-12)5-15-11(14-2)10(6)8/h4-6,8-11,13H,3H2,1-2H3",COC1OC=C(C=O)C2CC(O)C(C)C12,C11H16O4,,212.104858992,COYFDKDZYZEKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Campsis grandiflora,449722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Tecomeae'],['Campsis'],['Campsis grandiflora'],3,1,4.854426860809326 18381,1413,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4970426,ISDB,UARIKUWXCSCJBL-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h4-7,13H,2-3,8H2,1H3",CC(=O)OCCCc1ccc(O)cc1,C11H14O3,,194.094294308,UARIKUWXCSCJBL,Shikimates and Phenylpropanoids,,,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],5,0,6.988170385360718 18382,1412,-1,,,,0.81528157,ISDB,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,11.261126279830933 18383,1411,2116,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18384,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,0,5.2134093046188354 18385,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper glaberrimum,6030786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper glaberrimum'],4,0,5.2134093046188354 18386,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,5.2134093046188354 18387,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Cissampelos glaberrima,5727731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Cissampelos'],['Cissampelos glaberrima'],4,0,5.2134093046188354 18388,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum gilletii,4728649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum gilletii'],4,0,5.2134093046188354 18389,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum zanthoxyloides,6125784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum zanthoxyloides'],4,0,5.2134093046188354 18390,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-NMMTYZSQSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6-,9-8+",CCC/C=C\C=C\C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,0,5.2134093046188354 18391,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,0,5.2134093046188354 18392,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper arboreum,167786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper arboreum'],4,0,5.2134093046188354 18393,1409,104,Terpenoids,Steroids,Pregnane steroids,0.30335233,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum clava-herculis,3942437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum clava-herculis'],4,0,5.2134093046188354 18394,1408,104,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,SMKZFVZXPZJPFK-RYNJIZPOSA-N,"InChI=1S/C25H41NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-18,20,26-27H,7-14H2,1-6H3/t15-,16-,17+,18+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C,C25H41NO2,pos_2_2proton1ammonium,387.313729552,SMKZFVZXPZJPFK,Terpenoids,Steroids,Pregnane steroids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 18395,1405,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28434312,ISDB,,,,,,,CWEZAWNPTYBADX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1373724937438965 18396,1404,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7879103,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.651641130447388 18397,1404,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7879103,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.651641130447388 18398,1402,-1,,,,0.82330966,ISDB,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,10.293238639831543 18399,1401,679,Alkaloids,Pseudoalkaloids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18400,1400,757,Alkaloids,Steroids,Steroidal alkaloids,0.77777207,ISDB,OXOKQBJXPMVNLS-WBYSGCIYSA-N,"InChI=1S/C25H44N2O2/c1-15-20(26(4)5)10-11-23(3)18-9-12-24-14-27(6)16(2)17(24)7-8-19(24)22(18)21(28)13-25(15,23)29/h15-22,28-29H,7-14H2,1-6H3/t15-,16+,17-,18+,19+,20+,21-,22-,23-,24+,25-/m1/s1",C[C@@H]1[C@@H](N(C)C)CC[C@]2(C)[C@H]3CC[C@]45CN(C)[C@@H](C)[C@H]4CC[C@H]5[C@@H]3[C@H](O)C[C@@]12O,C25H44N2O2,,404.3402786479999,OXOKQBJXPMVNLS,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Holarrhena pubescens,495827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena pubescens'],4,3,8.611088275909424 18401,1399,1419,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_2_2proton1ammonium,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18402,1398,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MNa,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 18403,1398,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_2MNa,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18404,1398,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_2MNa,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18405,1398,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_2MNa,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 18406,1397,-1,,,,0.6916446,ISDB,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,10.766578435897827 18407,1395,-1,,,,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_2_2proton1ammonium,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18408,1395,-1,,,,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_2_2proton,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18409,1395,-1,,,,0.0,MS1_match,UJGXCOFZMJCRLN-YDDBCJSBSA-N,"InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17+,18+,19-,20+,21+,22+,23-/m1/s1",C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H39NO,pos_2_2proton1acetonitrile,345.303164868,UJGXCOFZMJCRLN,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18410,1394,755,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5094171,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,12.537668466567993 18411,1394,755,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5094171,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,12.537668466567993 18412,1393,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.66578877,ISDB,BJIOGJUNALELMI-ONEGZZNKSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",C/C=C/c1ccc(O)c(OC)c1,C10H12O2,,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,7.6631550788879395 18413,1392,-1,,,,0.0,MS1_match,URQAEFLEDPPPFX-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-7-10-5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(16)11(10)8-13(15)20/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,URQAEFLEDPPPFX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 18414,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,0,6.0 18415,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,0,6.0 18416,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],6,0,6.0 18417,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 18418,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea garciae,99957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea garciae'],6,0,6.0 18419,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,0,6.0 18420,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea gardneri,6026631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea gardneri'],6,0,6.0 18421,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea buisanensis,5699235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea buisanensis'],6,0,6.0 18422,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea japonica,706100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea japonica'],6,0,6.0 18423,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,0,6.0 18424,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 18425,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,0,6.0 18426,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,0,6.0 18427,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,0,6.0 18428,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Machilus forrestii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,0,6.0 18429,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia kurzii,6026164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia kurzii'],6,0,6.0 18430,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Alseodaphne perakensis,61206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Alseodaphne'],['Alseodaphne perakensis'],6,0,6.0 18431,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea aurata,265292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea aurata'],6,0,6.0 18432,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea lancifolia,563252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea lancifolia'],6,0,6.0 18433,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,0,6.0 18434,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera chunii,265282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera chunii'],6,0,6.0 18435,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,0,6.0 18436,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea caesia,6027187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea caesia'],6,0,6.0 18437,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,0,6.0 18438,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,0,6.0 18439,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 18440,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea dealbata,893264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea dealbata'],6,0,6.0 18441,1392,-1,,,,0.0,MS1_match,HORZNQYQXBFWNZ-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(O)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,HORZNQYQXBFWNZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Beilschmiedia elliptica,5699377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia elliptica'],6,0,6.0 18442,1392,-1,,,,0.0,MS1_match,HORZNQYQXBFWNZ-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(O)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,HORZNQYQXBFWNZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea caesia,6027187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea caesia'],6,0,6.0 18443,1392,-1,,,,0.0,MS1_match,HORZNQYQXBFWNZ-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(O)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,HORZNQYQXBFWNZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha pubescens,218940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha pubescens'],6,0,6.0 18444,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,0,6.0 18445,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,0,6.0 18446,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,0,6.0 18447,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Machilus forrestii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,0,6.0 18448,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia kurzii,6026164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia kurzii'],6,0,6.0 18449,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Alseodaphne perakensis,61206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Alseodaphne'],['Alseodaphne perakensis'],6,0,6.0 18450,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea aurata,265292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea aurata'],6,0,6.0 18451,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea lancifolia,563252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea lancifolia'],6,0,6.0 18452,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe formosana,245030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe formosana'],6,0,6.0 18453,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera chunii,265282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera chunii'],6,0,6.0 18454,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,0,6.0 18455,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea caesia,6027187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea caesia'],6,0,6.0 18456,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,0,6.0 18457,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,0,6.0 18458,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,0,6.0 18459,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea turfosa,6026817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea turfosa'],6,0,6.0 18460,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,0,6.0 18461,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,0,6.0 18462,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe grandis,6027646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe grandis'],6,0,6.0 18463,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne pruinosa,716859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne pruinosa'],6,0,6.0 18464,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea calophylla,6026573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea calophylla'],6,0,6.0 18465,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,0,6.0 18466,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,0,6.0 18467,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea turfosa,6026817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea turfosa'],6,0,6.0 18468,1392,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_2MHNH3,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ocotea quixos,218927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea quixos'],6,0,6.0 18469,1392,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_2MHNH3,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 18470,1392,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_2MHNH3,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 18471,1392,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_2MHNH3,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,0,6.0 18472,1392,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_2MHNH3,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 18473,1392,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_1_1proton1acetonitrile,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,0,6.0 18474,1392,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_1_1proton1acetonitrile,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,0,6.0 18475,1392,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_1_1proton1acetonitrile,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Cryptocarya idenburgensis,6025980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya idenburgensis'],6,0,6.0 18476,1392,-1,,,,0.0,MS1_match,PKIYLOACOOWBCU-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-18-13-9-6-10-14(19-2)15(13)16(17)20-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3",COc1cccc(OC)c1C(=O)OCc1ccccc1,C16H16O4,pos_1_1proton1acetonitrile,272.104858992,PKIYLOACOOWBCU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],6,0,6.0 18477,1392,-1,,,,0.0,MS1_match,ZRSNZINYAWTAHE-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",COc1ccc(C=O)cc1,C8H8O2,pos_2MHCH3CN,136.052429496,ZRSNZINYAWTAHE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cryptocarya agathophylla,6025872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya agathophylla'],6,0,6.0 18478,1392,-1,,,,0.0,MS1_match,BSDNZCQPDVTDET-HWKANZROSA-N,"InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+",O=C/C=C/c1ccccc1O,C9H8O2,pos_2MHNH3,148.052429496,BSDNZCQPDVTDET,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 18479,1392,-1,,,,0.0,MS1_match,BSDNZCQPDVTDET-HWKANZROSA-N,"InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+",O=C/C=C/c1ccccc1O,C9H8O2,pos_2MHNH3,148.052429496,BSDNZCQPDVTDET,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,0,6.0 18480,1392,-1,,,,0.0,MS1_match,IGHVWFLGYLMNRM-UHFFFAOYSA-N,"InChI=1S/C18H16O4/c1-20-13-4-5-14-11(6-13)2-3-12(9-19)15-7-17-18(8-16(14)15)22-10-21-17/h3-8,19H,2,9-10H2,1H3",COc1ccc2c(c1)CC=C(CO)c1cc3c(cc1-2)OCO3,C18H16O4,pos_1_1proton1ammonium,296.10485899199995,IGHVWFLGYLMNRM,Alkaloids,Tyrosine alkaloids,,Cinnamomum tenuifolium,5699220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tenuifolium'],6,0,6.0 18481,1392,-1,,,,0.0,MS1_match,IGHVWFLGYLMNRM-UHFFFAOYSA-N,"InChI=1S/C18H16O4/c1-20-13-4-5-14-11(6-13)2-3-12(9-19)15-7-17-18(8-16(14)15)22-10-21-17/h3-8,19H,2,9-10H2,1H3",COc1ccc2c(c1)CC=C(CO)c1cc3c(cc1-2)OCO3,C18H16O4,pos_1_1proton1ammonium,296.10485899199995,IGHVWFLGYLMNRM,Alkaloids,Tyrosine alkaloids,,Cinnamomum reticulatum,644826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum reticulatum'],6,0,6.0 18482,1392,-1,,,,0.0,MS1_match,OOTNKTPCQZXBMI-UHFFFAOYSA-N,"InChI=1S/C18H16O4/c1-4-11-7-13-10-15(22-18(13)17(8-11)21-3)12-5-6-14(19)16(9-12)20-2/h4-10,19H,1H2,2-3H3",C=Cc1cc(OC)c2oc(-c3ccc(O)c(OC)c3)cc2c1,C18H16O4,pos_1_1proton1ammonium,296.10485899199995,OOTNKTPCQZXBMI,Shikimates and Phenylpropanoids,Lignans,,Litsea acutivena,18346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea acutivena'],6,0,6.0 18483,1392,-1,,,,0.0,MS1_match,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera pipericarpa,6026506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera pipericarpa'],6,0,6.0 18484,1392,-1,,,,0.0,MS1_match,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,0,6.0 18485,1392,-1,,,,0.0,MS1_match,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe grandis,6027646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe grandis'],6,0,6.0 18486,1392,-1,,,,0.0,MS1_match,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne pruinosa,716859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne pruinosa'],6,0,6.0 18487,1392,-1,,,,0.0,MS1_match,JMRVKYVGFUVICI-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-13-4-3-9-7-11-14-10(5-6-19-11)8-12(20)18(23-2)16(14)15(9)17(13)21/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,JMRVKYVGFUVICI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea fluminensis,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,0,6.0 18488,1392,-1,,,,0.0,MS1_match,YHVSWHLQYUURMP-NSHDSACASA-N,"InChI=1S/C18H19NO4/c1-22-17-12(20)4-3-9-7-11-14-10(5-6-19-11)8-13(21)18(23-2)16(14)15(9)17/h3-4,8,11,19-21H,5-7H2,1-2H3/t11-/m0/s1",COc1c(O)ccc2c1-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,YHVSWHLQYUURMP,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,0,6.0 18489,1392,-1,,,,0.0,MS1_match,WINSPNLWSPVUAI-GFCCVEGCSA-N,"InChI=1S/C18H19NO4/c1-22-14-7-10-5-12-16-9(3-4-19-12)6-13(20)18(21)17(16)11(10)8-15(14)23-2/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m1/s1",COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,WINSPNLWSPVUAI,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea laeta,6026673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea laeta'],6,0,6.0 18490,1392,-1,,,,0.0,MS1_match,URQAEFLEDPPPFX-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-7-10-5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(16)11(10)8-13(15)20/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3,C18H19NO4,pos_1_1proton,313.131408088,URQAEFLEDPPPFX,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea teleiandra,6027513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea teleiandra'],6,0,6.0 18491,1392,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_2MHNH3,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aiouea brenesii,533210.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea brenesii'],6,0,6.0 18492,1392,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1proton,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Cinnamomum reticulatum,644826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum reticulatum'],6,0,6.0 18493,1392,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)",COc1cc(C=CC(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1proton,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 18494,1392,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1proton,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Litsea hypophaea,559683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea hypophaea'],6,0,6.0 18495,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,0,6.0 18496,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea wightiana,5699400.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea wightiana'],6,0,6.0 18497,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe grandis,6027646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe grandis'],6,0,6.0 18498,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne pruinosa,716859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne pruinosa'],6,0,6.0 18499,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea dealbata,893264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea dealbata'],6,0,6.0 18500,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea calophylla,6026573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea calophylla'],6,0,6.0 18501,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 18502,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,0,6.0 18503,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-LBPRGKRZSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.13140808800006,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,0,6.0 18504,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,0,6.0 18505,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],6,0,6.0 18506,1392,-1,,,,0.0,MS1_match,HORZNQYQXBFWNZ-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(OC)c(O)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,HORZNQYQXBFWNZ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Nectandra oppositifolia,7048477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra oppositifolia'],6,0,6.0 18507,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 18508,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,0,6.0 18509,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea gardneri,6026631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea gardneri'],6,0,6.0 18510,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea buisanensis,5699235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea buisanensis'],6,0,6.0 18511,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea japonica,706100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea japonica'],6,0,6.0 18512,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera aggregata,870513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera aggregata'],6,0,6.0 18513,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 18514,1392,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1proton,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Actinodaphne acuminata,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,0,6.0 18515,1392,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1proton,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Actinodaphne longifolia,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,0,6.0 18516,1392,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1proton,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Cryptocarya concinna,490063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya concinna'],6,0,6.0 18517,1392,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1proton,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Litsea acutivena,18346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea acutivena'],6,0,6.0 18518,1392,-1,,,,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_1_1proton,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Machilus zuihoensis,36198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus zuihoensis'],6,0,6.0 18519,1392,-1,,,,0.0,MS1_match,KYVJVURXKAZJRK-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3",COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31,C18H19NO4,pos_1_1proton,313.131408088,KYVJVURXKAZJRK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea garciae,99957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea garciae'],6,0,6.0 18520,1392,-1,,,,0.0,MS1_match,MAWRLMCDVKBYJB-CYBMUJFWSA-N,"InChI=1S/C17H15NO3/c19-11-2-1-9-5-13-15-10(3-4-18-13)6-14-17(21-8-20-14)16(15)12(9)7-11/h1-2,6-7,13,18-19H,3-5,8H2/t13-/m1/s1",Oc1ccc2c(c1)-c1c3c(cc4c1[C@@H](C2)NCC4)OCO3,C17H15NO3,pos_1_1proton1methanol,281.10519334,MAWRLMCDVKBYJB,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea dealbata,893264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea dealbata'],6,0,6.0 18521,1390,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.6474454,ISDB,UYFVWWJTLUHGLJ-DMDUXHFBSA-N,"InChI=1S/C10H18O3/c1-9(6-8-11)5-4-7-10(2,3)13-12/h4,6-7,11-12H,5,8H2,1-3H3/b7-4+,9-6-",C/C(=C/CO)C/C=C/C(C)(C)OO,C10H18O3,,186.125594436,UYFVWWJTLUHGLJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Baccharis aliena,6056214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Heterothalamus'],['Heterothalamus alienus'],3,2,6.5897815227508545 18522,1389,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 18523,1389,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 18524,1389,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 18525,1389,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1ammonium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 18526,1388,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 18527,1388,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18528,1388,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18529,1388,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 18530,1387,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ethylamine,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 18531,1387,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ethylamine,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 18532,1386,-1,,,,0.0,MS1_match,FEUZNFQHDSTKOI-UHFFFAOYSA-N,"InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)",CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)CCC(=O)O)CCCC21C,C24H34O4,pos_1_minus1proton1iron,386.245709568,FEUZNFQHDSTKOI,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies chensiensis,723560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies chensiensis'],6,0,6.0 18533,1385,-1,,,,0.0,MS1_match,PYUKAYSOPGHAEP-BAGAXAAKSA-N,"InChI=1S/C27H46N2O2/c1-17(29(5)6)22-18(30)13-25(4)20-8-7-19-23(2)15-31-16-28-21(23)9-10-26(19)14-27(20,26)12-11-24(22,25)3/h17-22,28,30H,7-16H2,1-6H3/t17-,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C27H46N2O2,pos_2_2proton,430.355928712,PYUKAYSOPGHAEP,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18534,1384,-1,,,,0.2501277,ISDB,,,,,,,RYIBOQQAAVFVPW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.000510811805725 18535,1383,-1,,,,0.0,MS1_match,UUIQMZJEGPQKFD-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3",CCCC(=O)OC,C5H10O2,pos_2MNa,102.06807956,UUIQMZJEGPQKFD,Fatty acids,Fatty esters,Wax monoesters,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18536,1381,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.26254436,ISDB,GUOSQNAUYHMCRU-UHFFFAOYSA-N,"InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)",NCCCCCCCCCCC(=O)O,C11H23NO2,,201.172878976,GUOSQNAUYHMCRU,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,2.0501774549484253 18537,1381,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.26254436,ISDB,GUOSQNAUYHMCRU-UHFFFAOYSA-N,"InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)",NCCCCCCCCCCC(=O)O,C11H23NO2,,201.172878976,GUOSQNAUYHMCRU,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],1,0,2.0501774549484253 18538,1380,-1,,,,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 18539,1380,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 18540,1380,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 18541,1380,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18542,1378,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 18543,1378,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 18544,1378,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18545,1378,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18546,1377,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea glehnii,1040405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glehnii'],6,0,6.0 18547,1377,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18548,1377,-1,,,,0.0,MS1_match,OVXRPXGVKBHGQO-UYWIDEMCSA-N,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12,C21H32O2,pos_1_minus1proton1iron,316.240230264,OVXRPXGVKBHGQO,Terpenoids,Diterpenoids,Abietane diterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 18549,1376,-1,,,,0.81033707,ISDB,HZMGJVBPGHEMBU-AWRBQHJKSA-N,"InChI=1S/C26H28O15/c27-8-26(36)9-39-25(23(26)35)38-7-15-18(32)19(33)20(34)24(40-15)41-21-14(30)5-13(29)16-17(31)12(6-37-22(16)21)10-1-3-11(28)4-2-10/h1-6,15,18-20,23-25,27-30,32-36H,7-9H2/t15-,18-,19+,20-,23+,24+,25-,26-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C26H28O15,,580.142820196,HZMGJVBPGHEMBU,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Pueraria montana var. lobata,935487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria montana'],4,0,7.2413482666015625 18550,1375,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 18551,1375,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18552,1373,-1,,,,0.0,MS1_match,YFXJLDCTEUBHCO-IBEHDNSVSA-N,"InChI=1S/C16H22O9/c1-23-11-6-8(2-3-10(11)19)9(18)4-5-24-16-15(22)14(21)13(20)12(7-17)25-16/h2-3,6,12-17,19-22H,4-5,7H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(C(=O)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H22O9,pos_1_1sodium,358.1263822839999,YFXJLDCTEUBHCO,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 18553,1373,-1,,,,0.0,MS1_match,QUAMTGJKVDWJEQ-UHFFFAOYSA-N,"InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3",CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,C21H26O3,pos_1_minus1proton1iron,326.188194692,QUAMTGJKVDWJEQ,Polyketides,Phloroglucinols,Acyl phloroglucinols,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 18554,1367,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 18555,1367,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18556,1367,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18557,1367,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1potassium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,0,8.0 18558,1365,-1,,,,0.5479002,ISDB,UPRXEFYRIACHQZ-PORFMDCZSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+/t10-/m0/s1",C/C=C/C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.191600799560547 18559,1365,-1,,,,0.5479002,ISDB,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,6.191600799560547 18560,1365,-1,,,,0.5479002,ISDB,UPRXEFYRIACHQZ-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3",CC=CC(=O)C1=C(C)CC(O)CC1(C)C,C13H20O2,,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,6.191600799560547 18561,1365,-1,,,,0.5479002,ISDB,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],4,0,6.191600799560547 18562,1365,-1,,,,0.5479002,ISDB,UPRXEFYRIACHQZ-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3",CC=CC(=O)C1=C(C)CC(O)CC1(C)C,C13H20O2,,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Ocimum basilicum,305911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Ocimum'],['Ocimum basilicum'],4,0,6.191600799560547 18563,1362,3246,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RGTONEMDTVVDMY-GRTPNEQMSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O,C16H22O11,pos_1_1sodium,390.1162115239998,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 18564,1362,3246,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,0.0,MS1_match,RGTONEMDTVVDMY-GRTPNEQMSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O,C16H22O11,pos_1_1sodium,390.1162115239998,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 18565,1361,-1,,,,0.0,MS1_match,RGTONEMDTVVDMY-GRTPNEQMSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O,C16H22O11,pos_1_1proton1ammonium,390.1162115239998,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 18566,1361,-1,,,,0.0,MS1_match,RGTONEMDTVVDMY-GRTPNEQMSA-N,"InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9-,11-,12+,13-,15+,16+/m1/s1",C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)O,C16H22O11,pos_1_1proton1ammonium,390.1162115239998,RGTONEMDTVVDMY,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 18567,1359,195,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.46602455,ISDB,PXFMUVDLJWXOQM-UHFFFAOYSA-N,"InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3",COC(=O)c1c(C)cc(O)c(C=O)c1O,C10H10O5,,210.05282342,PXFMUVDLJWXOQM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Parthenocissus tricuspidata,417328.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Parthenocisseae'],['Parthenocissus'],['Parthenocissus tricuspidata'],4,2,6.8640981912612915 18568,1359,195,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.46602455,ISDB,PXFMUVDLJWXOQM-UHFFFAOYSA-N,"InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3",COC(=O)c1c(C)cc(O)c(C=O)c1O,C10H10O5,,210.05282342,PXFMUVDLJWXOQM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Acer nikoense,764651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Acereae'],['Acer'],['Acer maximowiczianum'],4,2,6.8640981912612915 18569,1359,195,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.46602455,ISDB,PXFMUVDLJWXOQM-UHFFFAOYSA-N,"InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3",COC(=O)c1c(C)cc(O)c(C=O)c1O,C10H10O5,,210.05282342,PXFMUVDLJWXOQM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Harungana madagascariensis,324228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Vismieae'],['Harungana'],['Harungana madagascariensis'],4,2,6.8640981912612915 18570,1357,1434,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CCRCUPLGCSFEDV-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3",COC(=O)C=Cc1ccccc1,C10H10O2,pos_1_1proton1ammonium,162.06807956,CCRCUPLGCSFEDV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea thunbergii,882955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea thunbergii'],6,3,7.5 18571,1356,195,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple coumarins,0.32952437,ISDB,CIWXNUFLRXYBQV-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-8-4-3-7-6(10(8)12)2-5-9(11)14-7/h2-5,12H,1H3",COc1ccc2oc(=O)ccc2c1O,C10H8O4,,192.042258736,CIWXNUFLRXYBQV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,10.818097472190857 18572,1354,343,,,,0.46670133,ISDB,,,,,,,BBPWXVAERDTMPL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8668053150177002 18573,1352,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26427457,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,8.557098269462585 18574,1352,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26427457,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.557098269462585 18575,1352,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26427457,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.557098269462585 18576,1352,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26427457,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,8.557098269462585 18577,1352,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26427457,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,8.557098269462585 18578,1352,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26427457,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,8.557098269462585 18579,1352,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.26427457,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,8.557098269462585 18580,1349,285,Alkaloids,Ornithine alkaloids,Polyamines,0.59090877,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],4,3,7.863635063171387 18581,1349,285,Alkaloids,Ornithine alkaloids,Polyamines,0.59090877,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.863635063171387 18582,1349,285,Alkaloids,Ornithine alkaloids,Polyamines,0.59090877,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.863635063171387 18583,1345,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.0,MS1_match,VJJZJBUCDWKPLC-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3",COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O,C16H12O6,pos_2_2proton,300.063388104,VJJZJBUCDWKPLC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,2,8.0 18584,1345,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.0,MS1_match,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3",COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,C16H12O6,pos_2_2proton,300.063388104,IHFBPDAQLQOCBX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,2,8.0 18585,1345,772,Shikimates and Phenylpropanoids,Flavonoids,Phthalide derivatives,0.0,MS1_match,MQSZRBPYXNEFHF-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1,C16H12O6,pos_2_2proton,300.063388104,MQSZRBPYXNEFHF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,2,8.0 18586,1344,-1,,,,0.0,MS1_match,ZYMWMZFDSLSZLA-LHVNSVDMSA-N,"InChI=1S/C35H44O22/c1-10-19(39)23(43)26(46)33(52-10)51-9-17-21(41)25(45)28(48)35(55-17)57-32-22(42)18-13(38)7-15(53-34-27(47)24(44)20(40)16(8-36)54-34)30(50-3)31(18)56-29(32)11-4-5-12(37)14(6-11)49-2/h4-7,10,16-17,19-21,23-28,33-41,43-48H,8-9H2,1-3H3/t10-,16-,17+,19-,20-,21-,23+,24-,25-,26-,27+,28-,33+,34+,35-/m0/s1",COc1cc(-c2oc3c(OC)c(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@@H]2O)ccc1O,C35H44O22,pos_3_3proton,816.232423048,ZYMWMZFDSLSZLA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Coleogyne ramosissima,817076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Coleogyne'],['Coleogyne ramosissima'],6,0,6.0 18587,1343,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton2acetonitrile,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,8.5 18588,1343,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton2acetonitrile,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,1,8.5 18589,1343,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton2acetonitrile,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,1,8.5 18590,1343,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton2acetonitrile,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,1,8.5 18591,1343,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_1_1proton2acetonitrile,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,1,8.5 18592,1342,-1,,,,0.0,MS1_match,PWYIITFCWUJCMR-DDZXFPHNSA-N,"InChI=1S/C21H32O4/c1-14(12-20(23)24)7-9-18-15(2)8-10-19-17(13-25-16(3)22)6-5-11-21(18,19)4/h12,17-19H,2,5-11,13H2,1,3-4H3,(H,23,24)/b14-12+/t17-,18+,19+,21-/m1/s1",C=C1CC[C@H]2[C@@H](COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C21H32O4,pos_1_minus1proton1iron,348.23005950399994,PWYIITFCWUJCMR,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Pinus pumila,837867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pumila'],6,0,6.0 18593,1339,-1,,,,0.0,MS1_match,YFXJLDCTEUBHCO-IBEHDNSVSA-N,"InChI=1S/C16H22O9/c1-23-11-6-8(2-3-10(11)19)9(18)4-5-24-16-15(22)14(21)13(20)12(7-17)25-16/h2-3,6,12-17,19-22H,4-5,7H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(C(=O)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H22O9,pos_1_1proton1ethylamine,358.1263822839999,YFXJLDCTEUBHCO,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 18594,1338,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.50399345,ISDB,NXCPMSUBVRGTSE-UHFFFAOYSA-N,"InChI=1S/C10H12O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,11,13H,4-5H2,1H3",COc1cc(C(=O)CCO)ccc1O,C10H12O4,,196.073558864,NXCPMSUBVRGTSE,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,1,8.515973806381226 18595,1337,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ammonium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 18596,1337,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1proton1ammonium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 18597,1335,233,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1sodium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 18598,1335,233,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VHUNCYDAXJGCLO-AHMNSWSSSA-N,"InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C19H26O12,pos_1_1sodium,446.1424262719998,VHUNCYDAXJGCLO,,,,Filipendula ulmaria,852863.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Filipendula'],['Filipendula ulmaria'],6,0,6.0 18599,1334,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 18600,1334,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-QHWHWDPRSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 18601,1334,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZEJXENDZTYVXDP-CSJHBIPPSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O15,pos_1_1proton,594.1584702600001,ZEJXENDZTYVXDP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 18602,1331,2301,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CBOQJANXLMLOSS-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3",CCOc1cc(C=O)ccc1O,C9H10O3,pos_1_1proton1methanol,166.06299418,CBOQJANXLMLOSS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 18603,1330,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,IJFXRHURBJZNAO-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1cccc(O)c1,C7H6O3,pos_1_1proton,138.031694052,IJFXRHURBJZNAO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 18604,1330,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 18605,1330,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 18606,1329,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.7252558,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,12.401023149490356 18607,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18608,1327,-1,,,,0.0,MS1_match,XNGZKGIFXTWBFN-JYHBIOJMSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m1/s1",O=C1C=C2c3c(cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@@]23C[C@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]13,C30H24O12,pos_2_2sodium,576.126776208,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 18609,1327,-1,,,,0.0,MS1_match,MSVVDBMAVSBGAQ-OUECKCITSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-23(8-13)41-30(12-2-4-16(33)19(36)6-12)29(42-30)26(24)25-21(38)10-17(34)14-9-22(39)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-27,29,31-39H,9H2/t22-,26+,27-,29+,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)O[C@H]1[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H24O12,pos_2_2sodium,576.1267762079998,MSVVDBMAVSBGAQ,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,0,8.0 18610,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,0,8.0 18611,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 18612,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,0,8.0 18613,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 18614,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 18615,1327,-1,,,,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_2_2sodium,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 18616,1327,-1,,,,0.0,MS1_match,NSEWTSAADLNHNH-VCFSXNJSSA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4,C30H24O12,pos_2_2sodium,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,0,8.0 18617,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,0,8.0 18618,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 18619,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 18620,1327,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 18621,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,8.0 18622,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,8.0 18623,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,0,8.0 18624,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 18625,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,8.0 18626,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,8.0 18627,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,8.0 18628,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 18629,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,8.0 18630,1327,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18631,1327,-1,,,,0.0,MS1_match,XNGZKGIFXTWBFN-JYHBIOJMSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m1/s1",O=C1C=C2c3c(cc(O)c4c3O[C@@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@@]23C[C@]1(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]13,C30H24O12,pos_2_2sodium,576.126776208,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 18632,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,9.452318906784058 18633,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus campanulata,888078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus campanulata'],8,0,9.452318906784058 18634,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus serrulata var. pubescens,953636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,0,9.452318906784058 18635,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus nipponica,1016430.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus nipponica'],8,0,9.452318906784058 18636,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,0,9.452318906784058 18637,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,9.452318906784058 18638,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,9.452318906784058 18639,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,0,9.452318906784058 18640,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus leveilleana,677507.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus leveilleana'],8,0,9.452318906784058 18641,1325,-1,,,,0.36307973,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus verecunda,346235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus verecunda'],8,0,9.452318906784058 18642,1324,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 18643,1324,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18644,1324,-1,,,,0.0,MS1_match,LLEMMFPELBNINR-SKYGPZSASA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18645,1321,-1,,,,0.0,MS1_match,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,pos_2MMg,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,6.0 18646,1320,-1,,,,0.0,MS1_match,AOYBQYSCAFDMNF-DSVUQQCSSA-N,"InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)24-5)9-6-10-21(18,4)19(22)23/h7,11,13,16-18H,6,8-10,12H2,1-5H3,(H,22,23)/t16-,17-,18-,20+,21+/m0/s1",CO[C@H]1C[C@H]2C(=CC[C@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C=C1C(C)C,C21H32O3,pos_1_minus1proton1iron,332.235144884,AOYBQYSCAFDMNF,Terpenoids,Diterpenoids,Abietane diterpenoids,Abies spectabilis,844776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies spectabilis'],6,0,6.0 18647,1317,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74521106,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.480844259262085 18648,1317,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74521106,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.480844259262085 18649,1317,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74521106,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.480844259262085 18650,1317,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74521106,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.480844259262085 18651,1317,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74521106,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.480844259262085 18652,1317,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.74521106,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.480844259262085 18653,1316,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.62660116,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,8.006404638290405 18654,1316,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.62660116,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,8.006404638290405 18655,1314,-1,,,,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1proton,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 18656,1310,-1,,,,0.0,MS1_match,KUESBQLQDMKBNP-CALQCPNCSA-N,"InChI=1S/C21H30O5/c1-11(2)12-8-13-14(22)9-15-19(3,4)21(24)7-6-20(15,10-26-21)16(13)17(23)18(12)25-5/h8,11,14-15,22-24H,6-7,9-10H2,1-5H3/t14-,15+,20-,21+/m1/s1",COc1c(C(C)C)cc2c(c1O)[C@]13CC[C@](O)(OC1)C(C)(C)[C@@H]3C[C@H]2O,C21H30O5,pos_1_minus1proton1iron,362.20932406,KUESBQLQDMKBNP,Terpenoids,Diterpenoids,Abietane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 18657,1310,-1,,,,0.0,MS1_match,KWYVPSVMYXZKBJ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-9(2)11-7-12-13(18(24)17(11)23)5-10-6-16(22)19(25)20(3,4)14(10)8-15(12)21/h5-9,22H,1-4H3",CC(C)C1=Cc2c(cc3c(cc2=O)C(C)(C)C(=O)C(O)=C3)C(=O)C1=O,C20H18O5,pos_1_1proton1dmso,338.115423676,KWYVPSVMYXZKBJ,Terpenoids,Diterpenoids,Abeoabietane diterpenoids,Taxus cuspidata,883830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus cuspidata'],6,0,6.0 18658,1308,-1,,,,0.53077894,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,0,6.12311577796936 18659,1308,-1,,,,0.53077894,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Populus tremula,839584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Populus'],['Populus tremula'],4,0,6.12311577796936 18660,1308,-1,,,,0.53077894,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aeschynanthus bracteatus,154188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Gesneriaceae'],['Trichosporeae'],['Aeschynanthus'],['Aeschynanthus bracteatus'],4,0,6.12311577796936 18661,1308,-1,,,,0.53077894,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fagus grandifolia,422459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Fagus'],['Fagus grandifolia'],4,0,6.12311577796936 18662,1308,-1,,,,0.53077894,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tabernaemontana divaricata,851149.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Tabernaemontaneae'],['Tabernaemontana'],['Tabernaemontana divaricata'],4,0,6.12311577796936 18663,1308,-1,,,,0.53077894,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Saccharum officinarum,1079465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Saccharum'],['Saccharum officinarum'],4,0,6.12311577796936 18664,1308,-1,,,,0.53077894,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Inula crithmoides,706032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Limbarda'],['Limbarda crithmoides'],4,0,6.12311577796936 18665,1308,-1,,,,0.53077894,ISDB,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,0,6.12311577796936 18666,1307,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7290672,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.416268825531006 18667,1307,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7290672,ISDB,WPNYKVVEDMUXTO-HWKANZROSA-N,"InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+",COC(=O)/C=C/c1ccc2c(c1)OCO2,C11H10O4,,206.0579088,WPNYKVVEDMUXTO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,8.416268825531006 18668,1303,2786,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UNALXIWYSATRFG-XTDKSSFHSA-N,"InChI=1S/C37H54N2O4/c1-23(2)31(41)38-29-16-17-36-21-37(36)19-18-34(5)30(24(3)39(7)8)26(43-32(42)25-12-10-9-11-13-25)20-35(34,6)28(37)15-14-27(36)33(29,4)22-40/h9-15,23-24,26-30,40H,16-22H2,1-8H3,(H,38,41)/t24-,26+,27-,28-,29-,30-,33-,34+,35-,36+,37-/m0/s1",CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@H]3[C@]1(C)CO,C37H54N2O4,pos_2_1iron,590.4083582080001,UNALXIWYSATRFG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 18669,1302,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.24308008,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.472320318222046 18670,1302,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.24308008,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,10.472320318222046 18671,1302,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.24308008,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,10.472320318222046 18672,1302,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.24308008,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,10.472320318222046 18673,1302,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.24308008,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.472320318222046 18674,1300,-1,,,,0.0,MS1_match,MAPOZETZDQUBCL-XLYRFULNSA-N,"InChI=1S/C22H22O12/c1-31-13-4-8(2-3-10(13)25)19-21(16(28)15-11(26)5-9(24)6-14(15)32-19)34-22-18(30)17(29)20(33-22)12(27)7-23/h2-6,12,17-18,20,22-27,29-30H,7H2,1H3/t12-,17+,18+,20+,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H]([C@@H](O)CO)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,MAPOZETZDQUBCL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Onobrychis grandis,3922529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis grandis'],6,0,6.0 18675,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-LJPRMUBVSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22+/m0/s1",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1O,C22H22O12,pos_1_1proton,478.1111261439998,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Flemingia stricta,3922051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Flemingia stricta'],6,0,6.0 18676,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia silvestris,97456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia silvestris'],6,0,6.0 18677,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia irrorata,1062318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia irrorata'],6,0,6.0 18678,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],6,0,6.0 18679,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-HZYYNQKNSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18-,22-/m0/s1",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,0,6.0 18680,1300,-1,,,,0.0,MS1_match,SCNKDAJBBGDFOB-NGCYFBIMSA-N,"InChI=1S/C22H22O12/c1-7-15(26)18(29)19(30)22(32-7)34-21-17(28)14-10(23)5-9(31-2)6-13(14)33-20(21)8-3-11(24)16(27)12(25)4-8/h3-7,15,18-19,22-27,29-30H,1-2H3/t7-,15-,18+,19+,22-/m1/s1",COc1cc(O)c2c(=O)c(O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.111126144,SCNKDAJBBGDFOB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia confusa,560305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia confusa'],6,0,6.0 18681,1300,-1,,,,0.0,MS1_match,SCNKDAJBBGDFOB-NGCYFBIMSA-N,"InChI=1S/C22H22O12/c1-7-15(26)18(29)19(30)22(32-7)34-21-17(28)14-10(23)5-9(31-2)6-13(14)33-20(21)8-3-11(24)16(27)12(25)4-8/h3-7,15,18-19,22-27,29-30H,1-2H3/t7-,15-,18+,19+,22-/m1/s1",COc1cc(O)c2c(=O)c(O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.111126144,SCNKDAJBBGDFOB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia confusa,560305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia confusa'],6,0,6.0 18682,1300,-1,,,,0.0,MS1_match,PHEWILLIAJUBQE-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,PHEWILLIAJUBQE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis strobilacea,3925817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis strobilacea'],6,0,6.0 18683,1300,-1,,,,0.0,MS1_match,PHEWILLIAJUBQE-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,PHEWILLIAJUBQE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis racemosa,1072930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis racemosa'],6,0,6.0 18684,1300,-1,,,,0.0,MS1_match,PHEWILLIAJUBQE-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,PHEWILLIAJUBQE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis onobrychioides,421553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis onobrychoides'],6,0,6.0 18685,1300,-1,,,,0.0,MS1_match,PHEWILLIAJUBQE-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,PHEWILLIAJUBQE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus floccosifolius,3924893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus floccosifolius'],6,0,6.0 18686,1300,-1,,,,0.0,MS1_match,PHEWILLIAJUBQE-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,PHEWILLIAJUBQE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis strobilacea,3925817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis strobilacea'],6,0,6.0 18687,1300,-1,,,,0.0,MS1_match,PHEWILLIAJUBQE-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,PHEWILLIAJUBQE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis racemosa,1072930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis racemosa'],6,0,6.0 18688,1300,-1,,,,0.0,MS1_match,PHEWILLIAJUBQE-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,PHEWILLIAJUBQE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis onobrychioides,421553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis onobrychoides'],6,0,6.0 18689,1300,-1,,,,0.0,MS1_match,PHEWILLIAJUBQE-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O12,pos_1_1proton,478.1111261439998,PHEWILLIAJUBQE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus floccosifolius,3924893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus floccosifolius'],6,0,6.0 18690,1300,-1,,,,0.0,MS1_match,JXASPPWQHFOWPL-CQDSFZKYSA-N,"InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,JXASPPWQHFOWPL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus cibarius,221823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus cibarius'],6,0,6.0 18691,1300,-1,,,,0.0,MS1_match,JXASPPWQHFOWPL-CQDSFZKYSA-N,"InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,JXASPPWQHFOWPL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus cibarius,221823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus cibarius'],6,0,6.0 18692,1300,-1,,,,0.0,MS1_match,JXASPPWQHFOWPL-CQDSFZKYSA-N,"InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m0/s1",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,JXASPPWQHFOWPL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus cibarius,221823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus cibarius'],6,0,6.0 18693,1300,-1,,,,0.0,MS1_match,HGZHKWZIXPLKLY-XMHBHJPISA-N,"InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18+,20-,22-/m1/s1",COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,HGZHKWZIXPLKLY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lathyrus aphaca,1036586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus aphaca'],6,0,6.0 18694,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Caragana alaica,3922318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana alaica'],6,0,6.0 18695,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Genista tricuspidata,554263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista tricuspidata'],6,0,6.0 18696,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Flemingia,768124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Unknown'],6,0,6.0 18697,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 18698,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-HZYYNQKNSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18-,22-/m0/s1",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],6,0,6.0 18699,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia irrorata,1062318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia irrorata'],6,0,6.0 18700,1300,-1,,,,0.0,MS1_match,NKRGFKAFZUDVES-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.0849113959998,NKRGFKAFZUDVES,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 18701,1300,-1,,,,0.0,MS1_match,QDMKNHNZUGGVFN-GUFUGUNKSA-N,"InChI=1S/C21H18O11/c22-6-13-16(25)17(26)18(27)21(32-13)31-12-5-8(24)4-11-15(12)19-14(20(28)30-11)9-2-1-7(23)3-10(9)29-19/h1-5,13,16-18,21-27H,6H2/t13-,16-,17+,18-,21-/m1/s1",O=c1oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c2oc3cc(O)ccc3c12,C21H18O11,pos_1_1proton1methanol,446.084911396,QDMKNHNZUGGVFN,Shikimates and Phenylpropanoids,Isoflavonoids,Coumestan,Corethrodendron multijugum,3922414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Corethrodendron'],['Corethrodendron multijugum'],6,0,6.0 18702,1300,-1,,,,0.0,MS1_match,WYKUTTFFZMQCGO-HTRBZNBPSA-N,"InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30)/t12-,16-,18+,19-,21-/m1/s1",O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,C21H18O11,pos_1_1proton1methanol,446.084911396,WYKUTTFFZMQCGO,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Senna alexandrina,822192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna alexandrina'],6,0,6.0 18703,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-PWIGDYEPSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17+,18+,19+,21+/m1/s1",O=C(O)[C@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crotalaria juncea,612454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Crotalaria'],['Crotalaria juncea'],6,0,6.0 18704,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago arabica,525750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago arabica'],6,0,6.0 18705,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago polymorpha,38031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago polymorpha'],6,0,6.0 18706,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago radiata,56946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago radiata'],6,0,6.0 18707,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-WXRGLTTHSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19+,21+/m0/s1",O=C(O)[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 18708,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago truncatula,1060499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago truncatula'],6,0,6.0 18709,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-PWIGDYEPSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17+,18+,19+,21+/m1/s1",O=C(O)[C@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Crotalaria juncea,612454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Crotalaria'],['Crotalaria juncea'],6,0,6.0 18710,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago arabica,525750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago arabica'],6,0,6.0 18711,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago polymorpha,38031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago polymorpha'],6,0,6.0 18712,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago radiata,56946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago radiata'],6,0,6.0 18713,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-WXRGLTTHSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19+,21+/m0/s1",O=C(O)[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 18714,1300,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-ZFORQUDYSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.084911396,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Medicago truncatula,1060499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago truncatula'],6,0,6.0 18715,1300,-1,,,,0.0,MS1_match,WLDSVYQTJXGHOT-GSVZXUNASA-N,"InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O12,pos_1_1proton,478.1111261439999,WLDSVYQTJXGHOT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterogyne nitens,946962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Pterogyne'],['Pterogyne nitens'],6,0,6.0 18716,1300,-1,,,,0.0,MS1_match,WLDSVYQTJXGHOT-GSVZXUNASA-N,"InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22+/m1/s1",COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H22O12,pos_1_1proton,478.1111261439999,WLDSVYQTJXGHOT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pterogyne nitens,946962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Pterogyne'],['Pterogyne nitens'],6,0,6.0 18717,1300,-1,,,,0.0,MS1_match,HJOBXPHWOUTSLV-IXHHMEDMSA-N,"InChI=1S/C22H22O12/c1-31-12-5-9(24)6-13-15(12)17(28)21(20(32-13)8-2-3-10(25)11(26)4-8)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18-,19+,22-/m0/s1",COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(=O)c12,C22H22O12,pos_1_1proton,478.111126144,HJOBXPHWOUTSLV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 18718,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Flemingia,768124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Unknown'],6,0,6.0 18719,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-LJPRMUBVSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22+/m0/s1",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1O,C22H22O12,pos_1_1proton,478.1111261439998,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Flemingia stricta,3922051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Flemingia stricta'],6,0,6.0 18720,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia silvestris,97456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia silvestris'],6,0,6.0 18721,1300,-1,,,,0.0,MS1_match,NAQNISJXKDSYJD-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3",COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O,C22H22O12,pos_1_1proton,478.111126144,NAQNISJXKDSYJD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],6,0,6.0 18722,1300,-1,,,,0.0,MS1_match,MOFOLNOWFPVLGZ-BHWDSYMASA-N,"InChI=1S/C21H18O11/c22-9-6-11(8-4-2-1-3-5-8)30-18-13(9)10(23)7-12(14(18)24)31-21-17(27)15(25)16(26)19(32-21)20(28)29/h1-7,15-17,19,21,23-27H,(H,28,29)/t15-,16-,17+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.0849113959998,MOFOLNOWFPVLGZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 18723,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus muelleri,3925113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus vegliensis'],6,0,6.0 18724,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus laxmannii,3925254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus laxmannii'],6,0,6.0 18725,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus laxmannii,3925254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus laxmannii'],6,0,6.0 18726,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Onobrychis angustifolia,3922535.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis angustifolia'],6,0,6.0 18727,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Glycyrrhiza pallidiflora,629594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza pallidiflora'],6,0,6.0 18728,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus captiosus,3924296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus captiosus'],6,0,6.0 18729,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis racemosa,1072930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis racemosa'],6,0,6.0 18730,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],6,0,6.0 18731,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-SUAWZFDYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18-,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lupinus albus,1030424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus albus'],6,0,6.0 18732,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus saganlugensis,3923807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus saganlugensis'],6,0,6.0 18733,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus sulcatus,368370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus sulcatus'],6,0,6.0 18734,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus neapolitanus,5342691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus neapolitanus'],6,0,6.0 18735,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus neapolitana,5342691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus neapolitanus'],6,0,6.0 18736,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UKWZQOBBSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22-/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alhagi sparsifolia,708291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi sparsifolia'],6,0,6.0 18737,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus floccosifolius,3924893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus floccosifolius'],6,0,6.0 18738,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus cicer,838609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus cicer'],6,0,6.0 18739,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis onobrychioides,421553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis onobrychoides'],6,0,6.0 18740,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis vulneraria,253733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis vulneraria'],6,0,6.0 18741,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-SUAWZFDYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18-,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis subsimplex,34386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis henoniana'],6,0,6.0 18742,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus kabadianus,3923682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus kabadianus'],6,0,6.0 18743,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cicer mogoltavicum,3928221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer mogoltavicum'],6,0,6.0 18744,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cicer songaricum,168920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer songaricum'],6,0,6.0 18745,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis songorica,3925578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis songorica'],6,0,6.0 18746,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus varius,378686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus varius'],6,0,6.0 18747,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus varius,378686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus varius'],6,0,6.0 18748,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus muelleri,3925113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus vegliensis'],6,0,6.0 18749,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Genista tricuspidata,554263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista tricuspidata'],6,0,6.0 18750,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Onobrychis angustifolia,3922535.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis angustifolia'],6,0,6.0 18751,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Glycyrrhiza pallidiflora,629594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza pallidiflora'],6,0,6.0 18752,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus captiosus,3924296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus captiosus'],6,0,6.0 18753,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis racemosa,1072930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis racemosa'],6,0,6.0 18754,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],6,0,6.0 18755,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-SUAWZFDYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18-,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lupinus albus,1030424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus albus'],6,0,6.0 18756,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus saganlugensis,3923807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus saganlugensis'],6,0,6.0 18757,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus sulcatus,368370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus sulcatus'],6,0,6.0 18758,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus neapolitanus,5342691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus neapolitanus'],6,0,6.0 18759,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Melilotus neapolitana,5342691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus neapolitanus'],6,0,6.0 18760,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UKWZQOBBSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22-/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alhagi sparsifolia,708291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi sparsifolia'],6,0,6.0 18761,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus floccosifolius,3924893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus floccosifolius'],6,0,6.0 18762,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus cicer,838609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus cicer'],6,0,6.0 18763,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis onobrychioides,421553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis onobrychoides'],6,0,6.0 18764,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis vulneraria,253733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis vulneraria'],6,0,6.0 18765,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-SUAWZFDYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18-,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis subsimplex,34386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis henoniana'],6,0,6.0 18766,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Astragalus kabadianus,3923682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus kabadianus'],6,0,6.0 18767,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cicer mogoltavicum,3928221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer mogoltavicum'],6,0,6.0 18768,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cicer songaricum,168920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer songaricum'],6,0,6.0 18769,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis songorica,3925578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis songorica'],6,0,6.0 18770,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Caragana alaica,3922318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana alaica'],6,0,6.0 18771,1300,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 18772,1300,-1,,,,0.0,MS1_match,MOFOLNOWFPVLGZ-BHWDSYMASA-N,"InChI=1S/C21H18O11/c22-9-6-11(8-4-2-1-3-5-8)30-18-13(9)10(23)7-12(14(18)24)31-21-17(27)15(25)16(26)19(32-21)20(28)29/h1-7,15-17,19,21,23-27H,(H,28,29)/t15-,16-,17+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O11,pos_1_1proton1methanol,446.0849113959998,MOFOLNOWFPVLGZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 18773,1299,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.20987476,ISDB,KQTRNMODDGXNSU-UUTXUICWSA-N,"InChI=1S/C18H27NO10/c1-8-13(22)10(21)4-12(26-8)27-9-2-3-18(5-9,7-19)29-17-16(25)15(24)14(23)11(6-20)28-17/h2-3,8-17,20-25H,4-6H2,1H3/t8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-/m1/s1",C[C@H]1O[C@@H](O[C@H]2C=C[C@@](C#N)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C[C@H](O)[C@H]1O,C18H27NO10,,417.163496064,KQTRNMODDGXNSU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora capsularis,992811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora capsularis'],4,1,5.339499056339264 18774,1299,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.20987476,ISDB,KQTRNMODDGXNSU-UUTXUICWSA-N,"InChI=1S/C18H27NO10/c1-8-13(22)10(21)4-12(26-8)27-9-2-3-18(5-9,7-19)29-17-16(25)15(24)14(23)11(6-20)28-17/h2-3,8-17,20-25H,4-6H2,1H3/t8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-/m1/s1",C[C@H]1O[C@@H](O[C@H]2C=C[C@@](C#N)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C[C@H](O)[C@H]1O,C18H27NO10,,417.163496064,KQTRNMODDGXNSU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora citrina,362559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora citrina'],4,1,5.339499056339264 18775,1297,2730,Alkaloids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,PNRKIXSZTUCIJN-UJPOAAIJSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-2-1-3-8(15)4-7/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O7,pos_1_1proton1ethylamine,286.105252916,PNRKIXSZTUCIJN,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 18776,1296,1119,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.532396,ISDB,OOCCDEMITAIZTP-QPJJXVBHSA-N,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+",OC/C=C/c1ccccc1,C9H10O,,134.07316494,OOCCDEMITAIZTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,11.629584074020386 18777,1295,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40443715,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,11.117748618125916 18778,1295,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40443715,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,11.117748618125916 18779,1295,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40443715,ISDB,XFZJEEAOWLFHDH-UKWJTHFESA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,11.117748618125916 18780,1295,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40443715,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,11.117748618125916 18781,1295,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40443715,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,11.117748618125916 18782,1294,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,pos_1_1proton,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18783,1294,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UJCULRQYCJZJQR-YZASHPNZSA-N,"InChI=1S/C25H42N2/c1-16(26)19-12-14-25(5)21-9-8-20-17(7-10-22(27-6)23(20,2)3)15-18(21)11-13-24(19,25)4/h11,15-16,19-22,27H,7-10,12-14,26H2,1-6H3/t16-,19+,20+,21+,22-,24+,25-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C25H42N2,pos_1_1proton1methanol,370.334799344,UJCULRQYCJZJQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18784,1293,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1ethylamine,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18785,1292,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GMNAPBAUIVITMI-ABNIRSKTSA-N,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C,C26H46N2O,pos_2_2proton,402.361014092,GMNAPBAUIVITMI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18786,1291,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,ODHOTFAKXJWQIS-FDTAINNDSA-N,"InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2/t48-,59+,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C75H60O30,pos_1_1proton,1440.31694052,ODHOTFAKXJWQIS,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,7.5 18787,1291,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,ODHOTFAKXJWQIS-FDTAINNDSA-N,"InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2/t48-,59+,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C75H60O30,pos_1_1proton,1440.31694052,ODHOTFAKXJWQIS,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 18788,1291,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MHQGUSXLFCTZRO-CEUGJKJPSA-N,"InChI=1S/C75H60O30/c76-28-16-42(89)50-48(18-28)100-67(24-2-7-32(79)38(85)12-24)63(96)55(50)53-45(92)22-46(93)54-57(65(98)68(102-71(53)54)25-3-8-33(80)39(86)13-25)60-62(95)59-56(52-44(91)21-36(83)30-20-47(94)66(101-70(30)52)23-1-6-31(78)37(84)11-23)64(97)69(26-4-9-34(81)40(87)14-26)103-72(59)61-58-51-43(90)17-29(77)19-49(51)104-75(74(58)99,105-73(60)61)27-5-10-35(82)41(88)15-27/h1-19,21-22,47,55-58,63-69,74,76-99H,20H2/t47-,55-,56+,57-,58-,63-,64-,65-,66-,67-,68-,69-,74-,75+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C75H60O30,pos_1_1proton,1440.3169405199992,MHQGUSXLFCTZRO,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 18789,1290,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18790,1290,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18791,1290,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18792,1290,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18793,1290,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18794,1288,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,0,8.0 18795,1288,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 18796,1288,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 18797,1288,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 18798,1288,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 18799,1288,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,0,8.0 18800,1288,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],8,0,8.0 18801,1288,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],8,0,8.0 18802,1288,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,0,8.0 18803,1287,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1potassium,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 18804,1287,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1potassium,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 18805,1286,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MWOMNLDJNQWJMK-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3",COc1cc(CCCO)ccc1O,C10H14O3,pos_1_1proton,182.094294308,MWOMNLDJNQWJMK,,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 18806,1282,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 18807,1282,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 18808,1281,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 18809,1281,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 18810,1281,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 18811,1281,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 18812,1281,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 18813,1280,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 18814,1280,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 18815,1280,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 18816,1280,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 18817,1280,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 18818,1278,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 18819,1278,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,3,9.5 18820,1278,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 18821,1278,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 18822,1278,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 18823,1278,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18824,1277,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 18825,1277,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 18826,1277,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 18827,1277,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 18828,1275,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,pos_1_1proton,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 18829,1274,1166,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18830,1274,1166,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18831,1274,1166,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18832,1273,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18833,1273,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18834,1273,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18835,1273,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18836,1273,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 18837,1272,-1,,,,0.0,MS1_match,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,pos_1_1proton1ammonium,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,0,6.0 18838,1271,-1,,,,0.6292414,ISDB,XLKIJHXPWYIGIM-RXMQYKEDSA-N,"InChI=1S/C12H10O5/c1-5-6(2)17-12(16)11-9(15)3-8(14)7(4-13)10(5)11/h3-5,14-15H,2H2,1H3/t5-/m1/s1",C=C1OC(=O)c2c(O)cc(O)c(C=O)c2[C@@H]1C,C12H10O5,,234.05282342,XLKIJHXPWYIGIM,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ascochyta,1085549.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Ascochyta'],['Unknown'],1,0,3.516965627670288 18839,1270,104,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,pos_2_2proton1ammonium,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 18840,1269,1379,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 18841,1269,1379,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 18842,1268,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-UHFFFAOYSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3",COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 18843,1268,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-UHFFFAOYSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3",COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Magnolia grandiflora,622553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia grandiflora'],8,0,8.0 18844,1266,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.74979544,ISDB,RKFNMGWLDGIONW-UHFFFAOYSA-N,"InChI=1S/C9H6O5/c10-4-2-1-3-5-6(4)7(11)8(12)9(13)14-5/h1-3,10-12H",O=c1oc2cccc(O)c2c(O)c1O,C9H6O5,,194.021523292,RKFNMGWLDGIONW,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,1,7.499181747436523 18845,1266,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.74979544,ISDB,RKFNMGWLDGIONW-UHFFFAOYSA-N,"InChI=1S/C9H6O5/c10-4-2-1-3-5-6(4)7(11)8(12)9(13)14-5/h1-3,10-12H",O=c1oc2cccc(O)c2c(O)c1O,C9H6O5,,194.021523292,RKFNMGWLDGIONW,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,1,7.499181747436523 18846,1265,1058,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,9.5 18847,1264,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IKJZALCMWOVXSW-LMNHQLLWSA-N,"InChI=1S/C61H46O40/c62-19-1-12(2-20(63)34(19)70)53(83)99-50-46(82)60(90)95-28-10-92-56(86)15-6-24(67)37(73)42(78)31(15)33-17(58(88)97-48(28)50)9-27(40(76)44(33)80)94-47-18(8-26(69)39(75)45(47)81)59(89)101-52-51(100-54(84)13-3-21(64)35(71)22(65)4-13)49-29(96-61(52)91)11-93-55(85)14-5-23(66)36(72)41(77)30(14)32-16(57(87)98-49)7-25(68)38(74)43(32)79/h1-9,28-29,46,48-52,60-82,90-91H,10-11H2/t28-,29-,46-,48-,49-,50-,51+,52-,60-,61-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]2OC3=O)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C61H46O40,pos_1_1proton1ammonium,1418.156536272,IKJZALCMWOVXSW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 18848,1264,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,UFYKWHOUDUSOMB-UHFFFAOYSA-N,"InChI=1S/C61H46O40/c62-10-29(72)51(98-55(87)14-1-21(64)38(75)22(65)2-14)52-30(73)12-94-58(90)17-6-26(69)41(78)46(83)35(17)37-19(60(92)99-52)9-32(44(81)48(37)85)96-50-20(8-28(71)43(80)49(50)86)61(93)97-33(11-63)54(101-56(88)15-3-23(66)39(76)24(67)4-15)53-31(74)13-95-57(89)16-5-25(68)40(77)45(82)34(16)36-18(59(91)100-53)7-27(70)42(79)47(36)84/h1-11,29-31,33,51-54,64-86H,12-13H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(Oc3c(C(=O)OC(C=O)C(OC(=O)c4cc(O)c(O)c(O)c4)C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OCC4O)cc(O)c(O)c3O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C61H46O40,pos_1_1proton1ammonium,1418.1565362719994,UFYKWHOUDUSOMB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 18849,1263,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1sodium,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 18850,1263,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1sodium,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 18851,1262,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 18852,1262,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 18853,1261,797,Shikimates and Phenylpropanoids,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1proton1ammonium,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,1,7.5 18854,1261,797,Shikimates and Phenylpropanoids,Phloroglucinols,Acyl phloroglucinols,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1proton1ammonium,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,1,7.5 18855,1259,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6845262,ISDB,BJIOGJUNALELMI-ONEGZZNKSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+",C/C=C/c1ccc(O)c(OC)c1,C10H12O2,,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,0,7.738104820251465 18856,1258,-1,,,,0.0,MS1_match,WLJVXDMOQOGPHL-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",O=C(O)Cc1ccccc1,C8H8O2,pos_1_1proton,136.052429496,WLJVXDMOQOGPHL,Shikimates and Phenylpropanoids,,,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 18857,1256,799,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.57466847,ISDB,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,12.798673868179321 18858,1255,-1,,,,0.0,MS1_match,UKOKENMLXFNPEJ-WOJBJXKFSA-N,"InChI=1S/C20H22O3/c1-11(2)12-6-7-14-13(10-12)15(21)16-17-19(14,3)8-5-9-20(17,4)18(22)23-16/h6-7,10-11H,5,8-9H2,1-4H3/t19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1,C20H22O3,pos_1_1proton1dmso,310.156894564,UKOKENMLXFNPEJ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,6.0 18859,1255,-1,,,,0.0,MS1_match,HFWSHEGCAPRVLI-BJLLYVFTSA-N,"InChI=1S/C21H34O3/c1-7-18(2)13-9-16-19(3)11-8-12-20(4,17(22)23-6)15(19)10-14-21(16,5)24-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16-,18+,19+,20+,21-/m1/s1",C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@](C)(C(=O)OC)[C@@H]3CC[C@@]2(C)O1,C21H34O3,pos_1_minus1proton1iron,334.250794948,HFWSHEGCAPRVLI,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 18860,1255,-1,,,,0.0,MS1_match,WPQMVASLVXEISM-XTKDNXAFSA-N,"InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h14-15,17-18H,2,6-13H2,1,3-5H3/t15-,17-,18+,20+,21+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC=O,C21H34O3,pos_1_minus1proton1iron,334.250794948,WPQMVASLVXEISM,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus nigra,61776.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus nigra'],6,0,6.0 18861,1255,-1,,,,0.0,MS1_match,WPQMVASLVXEISM-SQFBREILSA-N,"InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h14-15,17-18H,2,6-13H2,1,3-5H3/t15-,17-,18+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC=O,C21H34O3,pos_1_minus1proton1iron,334.250794948,WPQMVASLVXEISM,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus resinosa,81207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus resinosa'],6,0,6.0 18862,1255,-1,,,,0.0,MS1_match,WPQMVASLVXEISM-SQFBREILSA-N,"InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h14-15,17-18H,2,6-13H2,1,3-5H3/t15-,17-,18+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@H](C)CC=O,C21H34O3,pos_1_minus1proton1iron,334.250794948,WPQMVASLVXEISM,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus elliottii,245809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus elliottii'],6,0,6.0 18863,1255,-1,,,,0.0,MS1_match,WPQMVASLVXEISM-APOUVHJUSA-N,"InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h14-15,17-18H,2,6-13H2,1,3-5H3/t15-,17+,18-,20-,21+/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC[C@@H](C)CC=O,C21H34O3,pos_1_minus1proton1iron,334.250794948,WPQMVASLVXEISM,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],6,0,6.0 18864,1255,-1,,,,0.0,MS1_match,LPLVHEIZIMARCP-LCYMFIOTSA-N,"InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h11,17-18,22H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/CO,C21H34O3,pos_1_minus1proton1iron,334.250794948,LPLVHEIZIMARCP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 18865,1255,-1,,,,0.0,MS1_match,LPLVHEIZIMARCP-LCYMFIOTSA-N,"InChI=1S/C21H34O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h11,17-18,22H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20+,21-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CC/C(C)=C/CO,C21H34O3,pos_1_minus1proton1iron,334.250794948,LPLVHEIZIMARCP,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sibirica,814113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sibirica'],6,0,6.0 18866,1254,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.31295183,ISDB,SSOWHRNCDFFKAK-RMQXTYCQSA-N,"InChI=1S/C45H36O18/c46-18-10-27(54)33-30(11-18)60-42(16-2-5-21(48)25(52)8-16)40(58)37(33)34-28(55)14-31-35(39(34)57)38-36-32(63-45(62-31,44(38)59)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)41(61-43(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2/t29-,37+,38+,40+,41+,42+,44+,45-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@@H]1c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)O[C@](c3ccc(O)c(O)c3)(O2)[C@@H]1O,C45H36O18,,864.1901643120002,SSOWHRNCDFFKAK,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Vaccinium vitis-idaea,242921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium vitis-idaea'],4,3,6.751807332038879 18867,1253,2773,Terpenoids,Pseudoalkaloids,Pregnane steroids,0.0,MS1_match,SMKZFVZXPZJPFK-RYNJIZPOSA-N,"InChI=1S/C25H41NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-18,20,26-27H,7-14H2,1-6H3/t15-,16-,17+,18+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C,C25H41NO2,pos_1_1proton1ammonium,387.313729552,SMKZFVZXPZJPFK,Terpenoids,Steroids,Pregnane steroids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,3,8.5 18868,1252,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1proton1ethylamine,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 18869,1252,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1proton1ethylamine,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 18870,1250,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 18871,1249,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 18872,1249,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 18873,1249,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,3,10.5 18874,1247,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5852765,ISDB,MRDAXWGGWWDUKL-VKJPNVGWSA-N,"InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-5,7,12-13,15,17-19,21H,6H2,(H,22,23)/b4-2+/t12-,13-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O8,,336.0845174719999,MRDAXWGGWWDUKL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sarcandra glabra,650198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Sarcandra'],['Sarcandra glabra'],4,3,7.841105937957764 18875,1247,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5852765,ISDB,MRDAXWGGWWDUKL-VKJPNVGWSA-N,"InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-5,7,12-13,15,17-19,21H,6H2,(H,22,23)/b4-2+/t12-,13-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O8,,336.0845174719999,MRDAXWGGWWDUKL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phoenix dactylifera,789008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Phoeniceae'],['Phoenix'],['Phoenix dactylifera'],4,3,7.841105937957764 18876,1247,669,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5852765,ISDB,MRDAXWGGWWDUKL-VKJPNVGWSA-N,"InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-5,7,12-13,15,17-19,21H,6H2,(H,22,23)/b4-2+/t12-,13-,15+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O8,,336.0845174719999,MRDAXWGGWWDUKL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Livistona chinensis,679381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Livistoneae'],['Livistona'],['Livistona chinensis'],4,3,7.841105937957764 18877,1245,-1,,,,0.0,MS1_match,CDQRKPOIGQRDHU-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(20-17)16(2)19/h14-15H,3-13H2,1-2H3",CCCCCCCCCCCCc1ccc(C(C)=O)o1,C18H30O2,pos_1_minus1proton1iron,278.2245802,CDQRKPOIGQRDHU,Polyketides,Cyclic polyketides,Furans,Cinnamomum kotoense,5919653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum kotoense'],6,0,6.0 18878,1245,-1,,,,0.0,MS1_match,DTOSIQBPPRVQHS-UHFFFAOYSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,pos_1_minus1proton1iron,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Neolitsea hiiranensis,5699234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea hiiranensis'],6,0,6.0 18879,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-GFCCVEGCSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m1/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,0,6.229436635971069 18880,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pilocarpus riedelianus,6125579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Pilocarpus'],['Pilocarpus riedelianus'],4,0,6.229436635971069 18881,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus,266228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Unknown'],4,0,6.229436635971069 18882,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lithraea molleoides,556811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Lithrea'],['Lithrea molleoides'],4,0,6.229436635971069 18883,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,0,6.229436635971069 18884,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Schinus molle,411495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Schinus'],['Schinus molle'],4,0,6.229436635971069 18885,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cleistopholis patens,3867599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cleistopholis'],['Cleistopholis patens'],4,0,6.229436635971069 18886,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Bupleurum acutifolium,884713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum acutifolium'],4,0,6.229436635971069 18887,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,0,6.229436635971069 18888,1243,-1,,,,0.55735916,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,0,6.229436635971069 18889,1238,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.54397714,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],4,3,7.67590856552124 18890,1238,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.54397714,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Remusatia vivipara,1023103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Remusatia'],['Remusatia vivipara'],4,3,7.67590856552124 18891,1238,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.54397714,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.67590856552124 18892,1238,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.54397714,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,3,7.67590856552124 18893,1238,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.54397714,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.67590856552124 18894,1238,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.54397714,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.67590856552124 18895,1235,-1,,,,0.5099889,ISDB,XXYNRADJSINGEO-JRAOJMNRSA-N,"InChI=1S/C21H22O11/c22-8-15-17(26)18(27)19(28)20(31-15)30-11-5-12(24)16-13(25)7-21(29,32-14(16)6-11)9-1-3-10(23)4-2-9/h1-6,15,17-20,22-24,26-29H,7-8H2/t15-,17-,18+,19-,20-,21+/m1/s1",O=C1C[C@@](O)(c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,,450.11621152399977,XXYNRADJSINGEO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Berchemia formosana,6109318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia formosana'],7,0,9.039955615997314 18896,1234,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.6897613,ISDB,OISYIJRGMYJBRH-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c1-20-8-5-11-13(12(17)6-8)15(19)9-3-2-7(16)4-10(9)14(11)18/h2-6,16-17H,1H3",COc1cc(O)c2c(c1)C(=O)c1cc(O)ccc1C2=O,C15H10O5,,270.05282342,OISYIJRGMYJBRH,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Berchemia floribunda,5264450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia floribunda'],7,0,9.759045124053955 18897,1233,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.31191254,ISDB,,,,,,,MQEPEJSTEZZWEE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.247650146484375 18898,1232,-1,,,,0.23410839,ISDB,PISGDLOMGNKHKP-UHFFFAOYSA-N,"InChI=1S/C13H21NO/c1-8-3-9-6-13(15)10-5-11(9)12(4-8)14(2)7-10/h8-12H,3-7H2,1-2H3",CC1CC2CC(=O)C3CC2C(C1)N(C)C3,C13H21NO,,207.162314292,PISGDLOMGNKHKP,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Huperzia herteriana,79108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Huperzia'],['Huperzia lucidula'],3,0,3.9364335536956787 18899,1232,-1,,,,0.23410839,ISDB,PISGDLOMGNKHKP-ROHXPCBUSA-N,"InChI=1S/C13H21NO/c1-8-3-9-6-13(15)10-5-11(9)12(4-8)14(2)7-10/h8-12H,3-7H2,1-2H3/t8-,9+,10-,11-,12+/m1/s1",C[C@@H]1C[C@H]2CC(=O)[C@@H]3C[C@H]2[C@H](C1)N(C)C3,C13H21NO,,207.162314292,PISGDLOMGNKHKP,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Huperzia lucidula,79108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Lycopodiopsida'],['Lycopodiales'],['Lycopodiaceae'],['Unknown'],['Huperzia'],['Huperzia lucidula'],3,0,3.9364335536956787 18900,1229,-1,,,,0.7390222,ISDB,QJAXMDRERHCOTP-YLYOMACISA-N,"InChI=1S/C16H28O8/c1-16(2,9-4-3-8(6-17)5-10(9)19)24-15-14(22)13(21)12(20)11(7-18)23-15/h5,9-15,17-22H,3-4,6-7H2,1-2H3/t9-,10-,11-,12-,13+,14-,15+/m1/s1",CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCC(CO)=C[C@H]1O,C16H28O8,,348.178417856,QJAXMDRERHCOTP,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],3,0,5.9560887813568115 18901,1228,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.0,MS1_match,DWBLGIXUYIBEEX-UHFFFAOYSA-N,"InChI=1S/C9H14O2/c1-3-4-5-8-7(2)6-11-9(8)10/h3-6H2,1-2H3",CCCCC1=C(C)COC1=O,C9H14O2,pos_1_1proton1ethylamine,154.099379688,DWBLGIXUYIBEEX,Polyketides,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 18902,1227,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.64028996,ISDB,UYFVWWJTLUHGLJ-DMDUXHFBSA-N,"InChI=1S/C10H18O3/c1-9(6-8-11)5-4-7-10(2,3)13-12/h4,6-7,11-12H,5,8H2,1-3H3/b7-4+,9-6-",C/C(=C/CO)C/C=C/C(C)(C)OO,C10H18O3,,186.125594436,UYFVWWJTLUHGLJ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Baccharis aliena,6056214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Heterothalamus'],['Heterothalamus alienus'],3,2,6.56115984916687 18903,1226,96,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.3461672,ISDB,DJOOMNLGIUGRKD-UHFFFAOYSA-N,"InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3",CC1=CCC(C(C)(C)O)CC1=O,C10H16O2,,168.115029752,DJOOMNLGIUGRKD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],5,2,7.384668827056885 18904,1225,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-UHFFFAOYSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3",CC1=C(C)C2CCC1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 18905,1225,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-DTORHVGOSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+",CC1=C(C)[C@H]2CC[C@@H]1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 18906,1225,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_1_1proton,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 18907,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 18908,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 18909,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18910,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 18911,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 18912,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 18913,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18914,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 18915,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 18916,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 18917,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 18918,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 18919,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18920,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 18921,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18922,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 18923,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 18924,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 18925,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.100167536,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 18926,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 18927,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 18928,1223,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 18929,1221,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18930,1221,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 18931,1221,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 18932,1221,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 18933,1221,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 18934,1221,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 18935,1221,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 18936,1221,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 18937,1221,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 18938,1220,1202,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.9084742,ISDB,VPAOSFFTKWUGAD-BGNCJLHMSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],5,3,10.133896827697754 18939,1217,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Metasequoia glyptostroboides,47954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Metasequoia'],['Metasequoia glyptostroboides'],7,0,7.0 18940,1215,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton1ammonium,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 18941,1215,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton1ammonium,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 18942,1214,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,3,8.5 18943,1214,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,YKDNTEQLKGYZHT-JSAIFSMWSA-N,"InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C34H26O22,pos_1_1proton,786.091572472,YKDNTEQLKGYZHT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],7,3,8.5 18944,1213,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3807962,ISDB,MEDOUSCMDOWDFB-ABEWIUNTSA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-40(14-23)81-56(20-2-6-26(63)31(68)10-20)52(78)48(42)43-38(75)18-41-47(51(43)77)50(54(80)57(82-41)21-3-7-27(64)32(69)11-21)46-37(74)17-36(73)45-49(53(79)58(84-60(45)46)22-4-8-28(65)33(70)12-22)44-35(72)16-29(66)24-15-39(76)55(83-59(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-50,52-58,61-80H,15H2/t39-,48+,49+,50+,52+,53-,54-,55-,56-,57-,58-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc2c(c1O)[C@H](c1c(O)cc(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]3c1c(O)cc(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C60H50O24,,1154.26920248,MEDOUSCMDOWDFB,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Dioscorea cirrhosa,956703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea cirrhosa'],3,3,6.023184776306152 18945,1212,-1,,,,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 18946,1212,-1,,,,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18947,1212,-1,,,,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 18948,1212,-1,,,,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_1_1proton,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 18949,1212,-1,,,,0.0,MS1_match,UCQUAMAQHHEXGD-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3",CC(=O)c1ccc(O)c(O)c1,C8H8O3,pos_1_1proton,152.047344116,UCQUAMAQHHEXGD,Shikimates and Phenylpropanoids,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 18950,1212,-1,,,,0.0,MS1_match,UCQUAMAQHHEXGD-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3",CC(=O)c1ccc(O)c(O)c1,C8H8O3,pos_1_1proton,152.047344116,UCQUAMAQHHEXGD,Shikimates and Phenylpropanoids,,,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 18951,1212,-1,,,,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18952,1212,-1,,,,0.0,MS1_match,NJHJXXLBWQXMRO-XJKSGUPXSA-N,"InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1",COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)ccc1O,C16H16O6,pos_2_2proton,304.09468823199995,NJHJXXLBWQXMRO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18953,1212,-1,,,,0.0,MS1_match,NJHJXXLBWQXMRO-XJKSGUPXSA-N,"InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1",COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)ccc1O,C16H16O6,pos_2_2proton,304.09468823199995,NJHJXXLBWQXMRO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 18954,1210,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 18955,1209,2575,Polyketides,Phloroglucinols,Acyl phloroglucinols,0.68554705,ISDB,HSJYYLNJWGKZMD-UHFFFAOYSA-N,"InChI=1S/C9H12O4/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5,10H,1-3H3",COc1cc(OC)c(O)c(OC)c1,C9H12O4,,184.073558864,HSJYYLNJWGKZMD,Polyketides,Phloroglucinols,Acyl phloroglucinols,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],4,3,8.242188215255737 18956,1208,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.50926715,ISDB,AOXMCWFZPZRDPE-RKQHYHRCSA-N,"InChI=1S/C14H18O8/c1-6(16)7-2-3-8(17)9(4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H18O8,,314.100167536,AOXMCWFZPZRDPE,,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,8.037068605422974 18957,1208,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.50926715,ISDB,AOXMCWFZPZRDPE-RKQHYHRCSA-N,"InChI=1S/C14H18O8/c1-6(16)7-2-3-8(17)9(4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H18O8,,314.100167536,AOXMCWFZPZRDPE,,,,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,8.037068605422974 18958,1208,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.50926715,ISDB,AOXMCWFZPZRDPE-RKQHYHRCSA-N,"InChI=1S/C14H18O8/c1-6(16)7-2-3-8(17)9(4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H18O8,,314.100167536,AOXMCWFZPZRDPE,,,,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,8.037068605422974 18959,1207,-1,,,,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_2_2proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18960,1205,-1,,,,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18961,1202,1004,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.3068492,ISDB,NFENYLPEYDNIMO-HNNXBMFYSA-N,"InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)15(20)7-12(19)14-11(18)5-10(17)6-13(14)21-15/h1-6,16-18,20H,7H2/t15-/m0/s1",O=C1C[C@@](O)(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,NFENYLPEYDNIMO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Berchemia formosana,6109318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia formosana'],7,3,9.727396845817566 18962,1201,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,pos_1_1proton1ammonium,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18963,1201,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_1_1proton,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18964,1200,408,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.5394253,ISDB,YVJHMEVFLXRRHO-AFQUXYSRSA-N,"InChI=1S/C25H39NO/c1-16-18-7-8-21-23(4)11-9-19(17(2)26(5)6)22(23,3)13-14-25(21)15-24(18,25)12-10-20(16)27/h10,12,16-19,21H,7-9,11,13-15H2,1-6H3/t16-,17+,18+,19-,21+,22-,23+,24-,25+/m1/s1",C[C@H]1C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO,,369.303164868,YVJHMEVFLXRRHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,11.657701253890991 18965,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 18966,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18967,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18968,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 18969,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 18970,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 18971,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 18972,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 18973,1198,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 18974,1196,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,0,7.0 18975,1196,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,7.0 18976,1196,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,7.0 18977,1196,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula,267715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Unknown'],7,0,7.0 18978,1196,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,0,7.0 18979,1196,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,0,7.0 18980,1196,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,0,7.0 18981,1196,-1,,,,0.0,MS1_match,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,pos_2MHNH3,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula,267715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Unknown'],7,0,7.0 18982,1195,-1,,,,0.0,MS1_match,VSOMBMILGWLJQZ-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(29(7)8)21-14-16-27(5)23-11-10-22-19(9-12-24(28-6)25(22,2)3)17-20(23)13-15-26(21,27)4/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C27H46N2,pos_2_1magnesium,398.366099472,VSOMBMILGWLJQZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18983,1195,-1,,,,0.0,MS1_match,ZKQCFKWMWXFCIU-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(28-6)21-14-16-27(5)23-11-10-22-19(17-20(23)13-15-26(21,27)4)9-12-24(29(7)8)25(22,2)3/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2,pos_2_1magnesium,398.366099472,ZKQCFKWMWXFCIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 18984,1194,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4456024,ISDB,XNGZKGIFXTWBFN-LTVJOWCOSA-N,"InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m0/s1",O=C1C=C2c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)O[C@]23C[C@@]1(O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]13,C30H24O12,,576.1267762079999,XNGZKGIFXTWBFN,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus ilex,272692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus ilex'],5,3,8.28240954875946 18985,1193,527,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,FEPAFOYQTIEEIS-WZKFEGCESA-N,"InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1",O=C(OC[C@@H]1OC(O)[C@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,FEPAFOYQTIEEIS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 18986,1193,527,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,FEPAFOYQTIEEIS-SFNSOECISA-N,"InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19-,20-/m1/s1",O=C(OC[C@H]1O[C@@H](O)[C@@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,FEPAFOYQTIEEIS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,3,9.5 18987,1191,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5344737,ISDB,KRGDXHCBNLBSJP-UHFFFAOYSA-N,"InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)22(29)31-19-9-14-15(25)7-13(24)8-18(14)30-21(19)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2",O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1ccc(O)cc1,C22H18O9,,426.095082156,KRGDXHCBNLBSJP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cistus salviifolius,752027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus salviifolius'],4,2,7.137894868850708 18988,1190,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.6768354,ISDB,JQIASYPXXAIEFJ-KSFYIVLOSA-N,"InChI=1S/C22H16O8/c1-8-16-18-15(30-22(16)21(27)19(8)25)7-14-17(20(18)26)11(24)6-13(29-14)9-3-4-12(28-2)10(23)5-9/h3-7,16,22-23,25-26H,1-2H3/t16-,22+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)c4c(cc3o2)O[C@H]2C(=O)C(O)=C(C)[C@@H]42)cc1O,C22H16O8,,408.084517472,JQIASYPXXAIEFJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Senna sophera,640188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna sophera'],4,2,7.70734167098999 18989,1189,-1,,,,0.0,MS1_match,FEPAFOYQTIEEIS-WZKFEGCESA-N,"InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1",O=C(OC[C@@H]1OC(O)[C@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1sodium,484.08530532,FEPAFOYQTIEEIS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 18990,1189,-1,,,,0.0,MS1_match,FEPAFOYQTIEEIS-SFNSOECISA-N,"InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19-,20-/m1/s1",O=C(OC[C@H]1O[C@@H](O)[C@@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1sodium,484.08530532,FEPAFOYQTIEEIS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,0,8.0 18991,1186,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,pos_1_1proton,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,8.5 18992,1183,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.32602155,ISDB,,,,,,,CWEZAWNPTYBADX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3040862083435059 18993,1182,20,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,NTMZGMLZXHMVHC-UHFFFAOYSA-N,"InChI=1S/C23H37NO/c1-19(2)15-6-7-16-20(3)10-9-18(25)21(20,4)12-13-23(16)14-22(15,23)11-8-17(19)24-5/h15-17,24H,6-14H2,1-5H3",CNC1CCC23CC24CCC2(C)C(=O)CCC2(C)C4CCC3C1(C)C,C23H37NO,pos_1_1proton1ethylamine,343.287514804,NTMZGMLZXHMVHC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 18994,1181,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,WRFQFEGHCJALCO-MENSBAHOSA-N,"InChI=1S/C25H44N2O/c1-16(27(6)17(2)28)21-9-10-22-20-8-7-18-15-19(26-5)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23,26H,7-15H2,1-6H3/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1",CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C(C)=O)CC[C@@H]32)C1,C25H44N2O,pos_2_2proton,388.345364028,WRFQFEGHCJALCO,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,1,6.5 18995,1181,443,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,AIEKUSBFLBFTIU-MENSBAHOSA-N,"InChI=1S/C25H44N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23H,7-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1",CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1,C25H44N2O,pos_2_2proton,388.345364028,AIEKUSBFLBFTIU,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,1,6.5 18996,1180,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.41682583,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,3,10.167303323745728 18997,1180,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.41682583,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula,267715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Unknown'],7,3,10.167303323745728 18998,1180,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.41682583,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],7,3,10.167303323745728 18999,1180,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.41682583,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Betula ovalifolia,667695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ovalifolia'],7,3,10.167303323745728 19000,1179,-1,,,,0.46168676,ISDB,LEVFOQZSXJAMIP-IHPDWLGDSA-N,"InChI=1S/C25H30O6/c1-5-6-7-8-15-13-16(26)18-19-20-23(4,31-21(18)30-15)11-12-25(28)22(2,3)17(27)9-10-24(20,25)14-29-19/h5-8,13,19-20,28H,9-12,14H2,1-4H3/b6-5+,8-7+/t19-,20-,23+,24-,25+/m0/s1",C/C=C/C=C/c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@@]34CO[C@@H]2[C@H]41,C25H30O6,,426.20423868,LEVFOQZSXJAMIP,Polyketides,Meroterpenoids,Other polyketide meroterpenoids,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,0,2.846747040748596 19001,1178,1166,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19002,1178,1166,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19003,1178,1166,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19004,1177,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 19005,1177,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 19006,1177,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 19007,1177,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 19008,1177,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 19009,1177,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,3,9.5 19010,1177,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19011,1177,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,3,9.5 19012,1175,2778,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UNPHDVLMOFWPKV-VEDVJMMMSA-N,"InChI=1S/C24H34O9/c1-10(2)23-8-14(32-12(4)25)11(3)17(23)18(29)20(30)22(6)15(27)7-16(28)24(33-13(5)26)9-31-21(23)19(22)24/h14-16,18-21,27-30H,1,7-9H2,2-6H3/t14-,15-,16-,18+,19-,20-,21-,22+,23-,24-/m0/s1",C=C(C)[C@@]12C[C@H](OC(C)=O)C(C)=C1[C@@H](O)[C@H](O)[C@@]1(C)[C@@H]3[C@@H]2OC[C@]3(OC(C)=O)[C@@H](O)C[C@@H]1O,C24H34O9,pos_2_1magnesium,466.220282668,UNPHDVLMOFWPKV,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Taxus canadensis,799895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus canadensis'],6,0,6.0 19013,1174,2872,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,BVWTXUYLKBHMOX-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3",COC(=O)c1ccc(O)c(OC)c1,C9H10O4,pos_1_1proton1acetonitrile,182.0579088,BVWTXUYLKBHMOX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 19014,1173,-1,,,,0.48019612,ISDB,QHXGFOCPQQADIF-KTKRTIGZSA-N,"InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1,C25H41NO,,371.318814932,QHXGFOCPQQADIF,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,0,5.9207844734191895 19015,1172,403,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,ZPPQIOUITZSYAO-HVHHODJLSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18?,19?,20+,21?,22-,24?,25+,26-/m1/s1",OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@H]1O,C26H29O15+,pos_1_1sodium,581.15009664809,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fatsia japonica,11194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Fatsia'],['Fatsia japonica'],6,3,7.5 19016,1171,-1,,,,0.0,MS1_match,ZPPQIOUITZSYAO-HVHHODJLSA-O,"InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18?,19?,20+,21?,22-,24?,25+,26-/m1/s1",OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@H]1O,C26H29O15+,pos_1_1proton,581.15009664809,ZPPQIOUITZSYAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Fatsia japonica,11194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Fatsia'],['Fatsia japonica'],6,0,6.0 19017,1168,-1,,,,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1sodium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,6.0 19018,1168,-1,,,,0.0,MS1_match,IKBSXSWJOQRTRW-OTJBPAGCSA-N,"InChI=1S/C16H26O8/c1-9(7-17)5-3-4-6-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h3-5,10-14,16-21H,6-8H2,1-2H3/t10-,11+,12+,13-,14+,16-/m0/s1",CC(=CC=CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H26O8,pos_1_1sodium,346.162767792,IKBSXSWJOQRTRW,,,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,0,6.0 19019,1168,-1,,,,0.0,MS1_match,IKBSXSWJOQRTRW-OTJBPAGCSA-N,"InChI=1S/C16H26O8/c1-9(7-17)5-3-4-6-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h3-5,10-14,16-21H,6-8H2,1-2H3/t10-,11+,12+,13-,14+,16-/m0/s1",CC(=CC=CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,C16H26O8,pos_1_1sodium,346.162767792,IKBSXSWJOQRTRW,,,,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,0,6.0 19020,1167,2716,Shikimates and Phenylpropanoids,Diterpenoids,Menthane monoterpenoids,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_1proton1isopropanol,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,1,9.5 19021,1167,2716,Shikimates and Phenylpropanoids,Diterpenoids,Menthane monoterpenoids,0.0,MS1_match,GNKZMNRKLCTJAY-UHFFFAOYSA-N,"InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3",CC(=O)c1ccc(C)cc1,C9H10O,pos_1_1proton1methanol,134.07316494,GNKZMNRKLCTJAY,Shikimates and Phenylpropanoids,,,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,1,9.5 19022,1166,679,Alkaloids,Pseudoalkaloids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19023,1165,2116,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19024,1162,-1,,,,0.0,MS1_match,XUGZSQAHEIOBCL-GIHFCIHZSA-N,"InChI=1S/C22H20O5/c23-17-7-13(10-1-4-18-19(5-10)27-9-26-18)11-2-3-12-14(8-20(24)25)15-6-16(17)22(11)21(12)15/h1-5,7,11-12,14-16,21-22H,6,8-9H2,(H,24,25)/t11-,12+,14+,15-,16-,21+,22-/m0/s1",O=C(O)C[C@@H]1[C@H]2C=C[C@H]3C(c4ccc5c(c4)OCO5)=CC(=O)[C@@H]4C[C@@H]1[C@@H]2[C@@H]34,C22H20O5,pos_1_1proton1dmso,364.1310737399999,XUGZSQAHEIOBCL,Alkaloids,,,Beilschmiedia anacardioides,6025398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia anacardioides'],6,0,6.0 19025,1162,-1,,,,0.0,MS1_match,WIFSTHBLXUMVNG-OQBXOKOHSA-N,"InChI=1S/C22H20O5/c23-17-8-15(22(24)25)12-3-2-11-13(14-7-16(17)21(12)20(11)14)5-10-1-4-18-19(6-10)27-9-26-18/h1-4,6,8,11-14,16,20-21H,5,7,9H2,(H,24,25)/t11-,12+,13-,14+,16+,20-,21+/m1/s1",O=C(O)C1=CC(=O)[C@@H]2C[C@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43,C22H20O5,pos_1_1proton1dmso,364.1310737399999,WIFSTHBLXUMVNG,Terpenoids,,,Beilschmiedia cryptocaryoides,6025434.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia cryptocaryoides'],6,0,6.0 19026,1160,-1,,,,0.0,MS1_match,LYVLYKYBSADXKN-UHFFFAOYSA-N,"InChI=1S/C12H16O5/c1-2-3-5-4-6-7(12(15)16-5)9(14)11-10(17-11)8(6)13/h5,8-11,13-14H,2-4H2,1H3",CCCC1CC2=C(C(=O)O1)C(O)C1OC1C2O,C12H16O5,pos_1_1proton,240.099773612,LYVLYKYBSADXKN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Laurus azorica,9696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus azorica'],7,0,7.0 19027,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JMFRWRFFLBVWSI-NSCUHMNNSA-N,"InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+",COc1cc(/C=C/CO)ccc1O,C10H12O3,pos_1_1proton,180.078644244,JMFRWRFFLBVWSI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,3,7.5 19028,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BSDNZCQPDVTDET-HWKANZROSA-N,"InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+",O=C/C=C/c1ccccc1O,C9H8O2,pos_1_1proton1methanol,148.052429496,BSDNZCQPDVTDET,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,3,7.5 19029,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BSDNZCQPDVTDET-HWKANZROSA-N,"InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+",O=C/C=C/c1ccccc1O,C9H8O2,pos_1_1proton1methanol,148.052429496,BSDNZCQPDVTDET,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19030,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1methanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19031,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1methanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,3,7.5 19032,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1methanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19033,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1methanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19034,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1methanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ocotea quixos,218927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea quixos'],6,3,7.5 19035,1159,1298,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton1methanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aiouea brenesii,533210.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea brenesii'],6,3,7.5 19036,1158,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IKJZALCMWOVXSW-LMNHQLLWSA-N,"InChI=1S/C61H46O40/c62-19-1-12(2-20(63)34(19)70)53(83)99-50-46(82)60(90)95-28-10-92-56(86)15-6-24(67)37(73)42(78)31(15)33-17(58(88)97-48(28)50)9-27(40(76)44(33)80)94-47-18(8-26(69)39(75)45(47)81)59(89)101-52-51(100-54(84)13-3-21(64)35(71)22(65)4-13)49-29(96-61(52)91)11-93-55(85)14-5-23(66)36(72)41(77)30(14)32-16(57(87)98-49)7-25(68)38(74)43(32)79/h1-9,28-29,46,48-52,60-82,90-91H,10-11H2/t28-,29-,46-,48-,49-,50-,51+,52-,60-,61-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]2OC3=O)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C61H46O40,pos_1_1proton1ammonium,1418.156536272,IKJZALCMWOVXSW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19037,1158,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,UFYKWHOUDUSOMB-UHFFFAOYSA-N,"InChI=1S/C61H46O40/c62-10-29(72)51(98-55(87)14-1-21(64)38(75)22(65)2-14)52-30(73)12-94-58(90)17-6-26(69)41(78)46(83)35(17)37-19(60(92)99-52)9-32(44(81)48(37)85)96-50-20(8-28(71)43(80)49(50)86)61(93)97-33(11-63)54(101-56(88)15-3-23(66)39(76)24(67)4-15)53-31(74)13-95-57(89)16-5-25(68)40(77)45(82)34(16)36-18(59(91)100-53)7-27(70)42(79)47(36)84/h1-11,29-31,33,51-54,64-86H,12-13H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(Oc3c(C(=O)OC(C=O)C(OC(=O)c4cc(O)c(O)c(O)c4)C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OCC4O)cc(O)c(O)c3O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C61H46O40,pos_1_1proton1ammonium,1418.1565362719994,UFYKWHOUDUSOMB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19038,1156,465,,,,0.5510142,ISDB,,,,,,,PZYVCAAILFDNEG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.204056739807129 19039,1154,-1,,,,0.50698227,ISDB,JLIDBLDQVAYHNE-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)",CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)O,C15H20O4,,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Distylium racemosum,615343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Distylium'],['Distylium racemosum'],5,0,7.027929067611694 19040,1153,285,Alkaloids,Ornithine alkaloids,Polyamines,0.64541847,ISDB,AKIHYQWCLCDMMI-VMPITWQZSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+",N=C(N)NCCCCNC(=O)/C=C/c1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.081673860549927 19041,1153,285,Alkaloids,Ornithine alkaloids,Polyamines,0.64541847,ISDB,AKIHYQWCLCDMMI-UHFFFAOYSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)",N=C(N)NCCCCNC(=O)C=Cc1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,3,8.081673860549927 19042,1151,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7414605,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,3,8.465842008590698 19043,1151,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7414605,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,3,8.465842008590698 19044,1151,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7414605,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,3,8.465842008590698 19045,1151,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7414605,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,8.465842008590698 19046,1151,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7414605,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,3,8.465842008590698 19047,1151,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7414605,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,3,8.465842008590698 19048,1150,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.62774765,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,8.010990619659424 19049,1150,66,Shikimates and Phenylpropanoids,Coumarins,Iridoids monoterpenoids,0.62774765,ISDB,IHEBZQKYPSMVBZ-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3",Cc1cocc2c(C=O)ccc1-2,C10H8O2,,160.052429496,IHEBZQKYPSMVBZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Viburnum opulus,117453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum opulus'],4,3,8.010990619659424 19050,1149,-1,,,,0.73717016,ISDB,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],6,0,8.948680639266968 19051,1148,168,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.22156557,ISDB,,,,,,,UUGQMXHZMGGSMU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8862622976303101 19052,1146,-1,,,,0.0,MS1_match,CUBPKSUGCMULEZ-UWQNPUKESA-N,"InChI=1S/C23H26O3/c24-15-7-4-13(5-8-15)2-1-3-16-17-10-11-18-19(23(25)26)9-6-14-12-20(16)22(17)21(14)18/h4-11,14,16-22,24H,1-3,12H2,(H,25,26)/t14-,16-,17-,18+,19-,20+,21-,22-/m1/s1",O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43,C23H26O3,pos_1_1proton1dmso,350.188194692,CUBPKSUGCMULEZ,,,,Beilschmiedia ferruginea,6025446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia ferruginea'],6,0,6.0 19053,1146,-1,,,,0.0,MS1_match,ZCRUGKKXGAGXFI-JYGHKZJLSA-N,"InChI=1S/C23H26O3/c24-14-6-4-13(5-7-14)2-1-3-16-20-12-19-15(10-11-21(25)26)17-8-9-18(19)23(20)22(16)17/h4-11,15-20,22-24H,1-3,12H2,(H,25,26)/b11-10+/t15-,16-,17+,18-,19+,20-,22-,23-/m0/s1",O=C(O)/C=C/[C@H]1[C@H]2C=C[C@H]3[C@@H]1C[C@H]1[C@H](CCCc4ccc(O)cc4)[C@@H]2[C@@H]31,C23H26O3,pos_1_1proton1dmso,350.188194692,ZCRUGKKXGAGXFI,,,,Beilschmiedia ferruginea,6025446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia ferruginea'],6,0,6.0 19054,1145,1699,Polyketides,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,QLVTZLGYKYKHCT-WJWAULOUSA-N,"InChI=1S/C22H24O3/c1-13-14(2)22(16-4-6-18-10-24-12-20(18)8-16)25-21(13)15-3-5-17-9-23-11-19(17)7-15/h3-8,13-14,21-22H,9-12H2,1-2H3/t13-,14-,21-,22-/m0/s1",C[C@H]1[C@H](C)[C@@H](c2ccc3c(c2)COC3)O[C@@H]1c1ccc2c(c1)COC2,C22H24O3,pos_2MMg,336.172544628,QLVTZLGYKYKHCT,Polyketides,,,Magnolia denudata,881612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia denudata'],7,1,7.5 19055,1144,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19056,1144,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19057,1144,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19058,1144,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19059,1144,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19060,1143,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.7167578,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,12.36703109741211 19061,1141,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37363803,ISDB,JSBXKZFDEDBAQA-WUFIRYPCSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.1432141200002,JSBXKZFDEDBAQA,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Morella rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],0,3,2.9945521354675293 19062,1141,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37363803,ISDB,JSBXKZFDEDBAQA-WUFIRYPCSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.1432141200002,JSBXKZFDEDBAQA,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Myrica rubra,660992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Myricaceae'],['Unknown'],['Morella'],['Morella rubra'],0,3,2.9945521354675293 19063,1141,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37363803,ISDB,JSBXKZFDEDBAQA-VZCJIROZSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29+,33+,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.14321412,JSBXKZFDEDBAQA,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],0,3,2.9945521354675293 19064,1141,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37363803,ISDB,JSBXKZFDEDBAQA-WUFIRYPCSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.1432141200002,JSBXKZFDEDBAQA,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Phyllanthus emblica,399352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus emblica'],0,3,2.9945521354675293 19065,1141,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37363803,ISDB,JSBXKZFDEDBAQA-WUFIRYPCSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.1432141200002,JSBXKZFDEDBAQA,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhododendron,66726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Rhodoreae'],['Rhododendron'],['Unknown'],0,3,2.9945521354675293 19066,1141,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37363803,ISDB,JSBXKZFDEDBAQA-WUFIRYPCSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.1432141200002,JSBXKZFDEDBAQA,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Limonium gmelinii,387499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Plumbaginaceae'],['Unknown'],['Limonium'],['Limonium gmelinii'],0,3,2.9945521354675293 19067,1141,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37363803,ISDB,JSBXKZFDEDBAQA-WUFIRYPCSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.1432141200002,JSBXKZFDEDBAQA,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Parapiptadenia rigida,328594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Parapiptadenia'],['Parapiptadenia rigida'],0,3,2.9945521354675293 19068,1139,2391,Carbohydrates,Polyols,Cyclitols,0.0,MS1_match,SNKSMYJJYVZUMV-OOJXKGFFSA-N,"InChI=1S/C8H16O6/c1-2-13-8(4-9)7(12)6(11)5(10)3-14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1",CCO[C@]1(CO)OC[C@@H](O)[C@@H](O)[C@@H]1O,C8H16O6,pos_2MK,208.094688232,SNKSMYJJYVZUMV,,,,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],6,0,6.0 19069,1139,2391,Carbohydrates,Polyols,Cyclitols,0.0,MS1_match,KQQFKZUGBOQKLW-NGJRWZKOSA-N,"InChI=1S/C8H16O6/c1-2-13-8(4-10)7(12)6(11)5(3-9)14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1",CCO[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O,C8H16O6,pos_2MK,208.094688232,KQQFKZUGBOQKLW,,,,Ziziphus jujuba,73483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Paliureae'],['Ziziphus'],['Ziziphus jujuba'],6,0,6.0 19070,1138,-1,,,,0.29581568,ISDB,AWJLARVNMUSPPN-VHWMUFPASA-N,"InChI=1S/C10H10O5/c1-4-8(12)5-2-3-6(11)9(13)7(5)10(14)15-4/h2-4,8,11-13H,1H3/t4-,8+/m1/s1",C[C@H]1OC(=O)c2c(ccc(O)c2O)[C@H]1O,C10H10O5,,210.05282342,AWJLARVNMUSPPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Cordiera macrophylla,708709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Cordiereae'],['Alibertia'],['Alibertia macrophylla'],4,0,5.1832627058029175 19071,1136,2321,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 19072,1136,2321,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 19073,1135,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1potassium,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 19074,1135,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1potassium,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 19075,1135,-1,,,,0.0,MS1_match,KQFUXLQBMQGNRT-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1,C18H16O7,pos_1_1sodium,344.0896028519999,KQFUXLQBMQGNRT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula nigra,267696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula nigra'],7,0,7.0 19076,1135,-1,,,,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1sodium,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula ermanii,567488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula ermanii'],7,0,7.0 19077,1135,-1,,,,0.0,MS1_match,DWZAJFZEYZIHPO-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3",COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1,C18H16O7,pos_1_1sodium,344.089602852,DWZAJFZEYZIHPO,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 19078,1134,1818,Terpenoids,Steroids,Pregnane steroids,0.31629062,ISDB,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,8.265162467956543 19079,1133,251,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.7273275,ISDB,DYIWTUWURQKJDN-YQMRLJPGSA-N,"InChI=1S/C21H20O14/c22-9-1-7(2-10(23)15(9)26)18(29)34-13-5-21(33,20(31)32)6-14(17(13)28)35-19(30)8-3-11(24)16(27)12(25)4-8/h1-4,13-14,17,22-28,33H,5-6H2,(H,31,32)/t13-,14-,17-,21+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1,C21H20O14,,496.08530532,DYIWTUWURQKJDN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Sloanea rhodantha,5748883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Elaeocarpaceae'],['Unknown'],['Sloanea'],['Sloanea rhodantha'],4,3,8.409310102462769 19080,1133,251,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.7273275,ISDB,DYIWTUWURQKJDN-YQMRLJPGSA-N,"InChI=1S/C21H20O14/c22-9-1-7(2-10(23)15(9)26)18(29)34-13-5-21(33,20(31)32)6-14(17(13)28)35-19(30)8-3-11(24)16(27)12(25)4-8/h1-4,13-14,17,22-28,33H,5-6H2,(H,31,32)/t13-,14-,17-,21+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1,C21H20O14,,496.08530532,DYIWTUWURQKJDN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Castanopsis fissa,651161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis fissa'],4,3,8.409310102462769 19081,1133,251,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.7273275,ISDB,DYIWTUWURQKJDN-YQMRLJPGSA-N,"InChI=1S/C21H20O14/c22-9-1-7(2-10(23)15(9)26)18(29)34-13-5-21(33,20(31)32)6-14(17(13)28)35-19(30)8-3-11(24)16(27)12(25)4-8/h1-4,13-14,17,22-28,33H,5-6H2,(H,31,32)/t13-,14-,17-,21+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1,C21H20O14,,496.08530532,DYIWTUWURQKJDN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Quercus myrsinaefolia,165073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus myrsinifolia'],4,3,8.409310102462769 19082,1133,251,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.7273275,ISDB,DYIWTUWURQKJDN-DDBGFLLRSA-N,"InChI=1S/C21H20O14/c22-9-1-7(2-10(23)15(9)26)18(29)34-13-5-21(33,20(31)32)6-14(17(13)28)35-19(30)8-3-11(24)16(27)12(25)4-8/h1-4,13-14,17,22-28,33H,5-6H2,(H,31,32)/t13-,14-,17-,21-/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1,C21H20O14,,496.08530532,DYIWTUWURQKJDN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Platycarya strobilacea,264610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Platycarya'],['Platycarya strobilacea'],4,3,8.409310102462769 19083,1133,251,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.7273275,ISDB,DYIWTUWURQKJDN-YQMRLJPGSA-N,"InChI=1S/C21H20O14/c22-9-1-7(2-10(23)15(9)26)18(29)34-13-5-21(33,20(31)32)6-14(17(13)28)35-19(30)8-3-11(24)16(27)12(25)4-8/h1-4,13-14,17,22-28,33H,5-6H2,(H,31,32)/t13-,14-,17-,21+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1,C21H20O14,,496.08530532,DYIWTUWURQKJDN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Quercus salicina,429778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus salicina'],4,3,8.409310102462769 19084,1130,1760,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.22538044,ISDB,BJCGLAAQSUGMKB-UHFFFAOYSA-N,"InChI=1S/C13H12O8/c1-6(14)19-10-4-9(13(17)18)5-11(20-7(2)15)12(10)21-8(3)16/h4-5H,1-3H3,(H,17,18)",CC(=O)Oc1cc(C(=O)O)cc(OC(C)=O)c1OC(C)=O,C13H12O8,,296.053217344,BJCGLAAQSUGMKB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Alchornea glandulosa,3911479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Alchorneae'],['Alchornea'],['Alchornea glandulosa'],4,3,6.401521742343903 19085,1129,42,Shikimates and Phenylpropanoids,Ornithine alkaloids,Biaryl type diarylheptanoids,0.0,MS1_match,CMUNUTVVOOHQPW-LURJTMIESA-N,"InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1",C[N+]1(C)CCC[C@H]1C(=O)[O-],C7H13NO2,pos_2MCa,143.09462865599997,CMUNUTVVOOHQPW,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,2,7.0 19086,1127,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2938921,ISDB,GDYGAIKPBLFCKR-HZQLJAILSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Rodgersia podophylla,429366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Rodgersia'],['Rodgersia podophylla'],5,3,7.675568342208862 19087,1127,2498,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2938921,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Saxifraga stolonifera,816926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Saxifraga'],['Saxifraga stolonifera'],5,3,7.675568342208862 19088,1126,-1,,,,0.0,MS1_match,CILLXFBAACIQNS-SSGBECSUSA-O,"InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19+,21+,22+,23-,24-,25+,26+,28+,29+/m0/s1",COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C29H35O17+,pos_1_1proton,655.18687608009,CILLXFBAACIQNS,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Millettia zechiana,3920701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia zechiana'],6,0,6.0 19089,1126,-1,,,,0.0,MS1_match,CILLXFBAACIQNS-BTXJZROQSA-N,"InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1[O-],C29H34O17,pos_1_1proton,654.179599628,CILLXFBAACIQNS,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19090,1126,-1,,,,0.0,MS1_match,CILLXFBAACIQNS-SSGBECSUSA-O,"InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19+,21+,22+,23-,24-,25+,26+,28+,29+/m0/s1",COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C29H35O17+,pos_1_1proton,655.18687608009,CILLXFBAACIQNS,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Sulla coronaria,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,0,6.0 19091,1126,-1,,,,0.0,MS1_match,CILLXFBAACIQNS-SSGBECSUSA-O,"InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19+,21+,22+,23-,24-,25+,26+,28+,29+/m0/s1",COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C29H35O17+,pos_1_1proton,655.18687608009,CILLXFBAACIQNS,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Hedysarum coronarium,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,0,6.0 19092,1126,-1,,,,0.0,MS1_match,CILLXFBAACIQNS-SSGBECSUSA-O,"InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19+,21+,22+,23-,24-,25+,26+,28+,29+/m0/s1",COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C29H35O17+,pos_1_1proton,655.18687608009,CILLXFBAACIQNS,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Desmodium uncinatum,687091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Desmodium'],['Desmodium uncinatum'],6,0,6.0 19093,1126,-1,,,,0.0,MS1_match,CILLXFBAACIQNS-SSGBECSUSA-O,"InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19+,21+,22+,23-,24-,25+,26+,28+,29+/m0/s1",COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C29H35O17+,pos_1_1proton,655.18687608009,CILLXFBAACIQNS,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Desmodium sandwicense,3927408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Desmodium'],['Desmodium sandwicense'],6,0,6.0 19094,1126,-1,,,,0.0,MS1_match,BWDMLCWSGGUHGK-UHFFFAOYSA-N,"InChI=1S/C29H34O17/c1-9-18(32)22(36)24(38)28(43-9)42-8-16-20(34)23(37)25(39)29(45-16)46-27-21(35)17-12(31)6-11(30)7-13(17)44-26(27)10-4-14(40-2)19(33)15(5-10)41-3/h4-7,9,16,18,20,22-25,28-34,36-39H,8H2,1-3H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1O,C29H34O17,pos_1_1proton,654.179599628,BWDMLCWSGGUHGK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lathyrus aphaca,1036586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus aphaca'],6,0,6.0 19095,1126,-1,,,,0.0,MS1_match,HHVFGSHKCLQRAL-QBPJBPEDSA-N,"InChI=1S/C29H34O17/c1-40-11-6-12(32)18-15(7-11)42-26(27(21(18)35)46-29-25(39)23(37)20(34)17(9-31)45-29)10-3-4-13(14(5-10)41-2)43-28-24(38)22(36)19(33)16(8-30)44-28/h3-7,16-17,19-20,22-25,28-34,36-39H,8-9H2,1-2H3/t16-,17+,19-,20+,22-,23+,24-,25+,28-,29+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)c(OC)c3)oc2c1,C29H34O17,pos_1_1proton,654.179599628,HHVFGSHKCLQRAL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Anthyllis onobrychioides,421553.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis onobrychoides'],6,0,6.0 19096,1126,-1,,,,0.0,MS1_match,SCMBTGLLYCNHPV-CRHQNEHJSA-N,"InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3/t9-,15+,17-,18+,20+,21-,22+,23+,28-,29+/m0/s1",COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](CO[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C29H34O17,pos_1_1proton,654.179599628,SCMBTGLLYCNHPV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Coronilla valentina,253730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla valentina'],6,0,6.0 19097,1126,-1,,,,0.0,MS1_match,VIPCJCSVYZTPBA-MBXSJXQWSA-N,"InChI=1S/C28H30O16/c1-28(39,8-18(32)33)9-19(34)41-10-17-21(35)23(37)24(38)27(43-17)44-26-22(36)20-15(31)6-12(40-2)7-16(20)42-25(26)11-3-4-13(29)14(30)5-11/h3-7,17,21,23-24,27,29-31,35,37-39H,8-10H2,1-2H3,(H,32,33)/t17-,21-,23+,24-,27+,28+/m1/s1",COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C28H30O16,pos_1_1proton1methanol,622.15338488,VIPCJCSVYZTPBA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oxytropis racemosa,1072930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Oxytropis'],['Oxytropis racemosa'],6,0,6.0 19098,1125,-1,,,,0.5730761,ISDB,HOKMRYAVBVSYOK-UHFFFAOYSA-N,"InChI=1S/C16H24O8/c1-7-3-9(18)8-4-16(7,22)15(8,2)6-23-14-13(21)12(20)11(19)10(5-17)24-14/h3,8,10-14,17,19-22H,4-6H2,1-2H3",CC1=CC(=O)C2CC1(O)C2(C)COC1OC(CO)C(O)C(O)C1O,C16H24O8,,344.147117728,HOKMRYAVBVSYOK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Paeonia suffruticosa,137620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia suffruticosa'],5,0,7.292304515838623 19099,1125,-1,,,,0.5730761,ISDB,HOKMRYAVBVSYOK-OVTNXYPDSA-N,"InChI=1S/C16H24O8/c1-7-3-9(18)8-4-16(7,22)15(8,2)6-23-14-13(21)12(20)11(19)10(5-17)24-14/h3,8,10-14,17,19-22H,4-6H2,1-2H3/t8-,10+,11+,12-,13+,14+,15-,16-/m0/s1",CC1=CC(=O)[C@@H]2C[C@@]1(O)[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,,344.1471177279999,HOKMRYAVBVSYOK,Terpenoids,Monoterpenoids,Secoiridoid monoterpenoids,Paeonia lactiflora,352877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia lactiflora'],5,0,7.292304515838623 19100,1123,287,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1proton,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 19101,1123,287,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1proton,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 19102,1121,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1sodium,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 19103,1121,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1sodium,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 19104,1119,1412,,,,0.64565575,ISDB,,,,,,,KUMXVBFFVVLQFX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.58262300491333 19105,1118,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.31432542,ISDB,BUOLDWJIICQRBU-RGOYVLDUSA-N,"InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(12-1-2-17(39)19(41)3-12)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)13-4-22(44)31(48)23(45)5-13/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1",O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O17,,746.1482995000001,BUOLDWJIICQRBU,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Rhodiola semenovii,668902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola semenovii'],5,3,7.757301688194275 19106,1115,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4978208,ISDB,SNJZSALXDDQVRR-UJQPEBFZSA-N,"InChI=1S/C30H26O13/c31-12-6-16(34)23-22(7-12)43-30(11-4-18(36)27(40)19(37)5-11)28(41)25(23)24-17(35)9-21-13(26(24)39)8-20(38)29(42-21)10-1-2-14(32)15(33)3-10/h1-7,9,20,25,28-41H,8H2/t20-,25-,28-,29+,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O13,,594.1373408919999,SNJZSALXDDQVRR,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Eucalyptus ovata,566584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Eucalypteae'],['Eucalyptus'],['Eucalyptus ovata'],3,3,6.491283178329468 19107,1115,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.4978208,ISDB,SNJZSALXDDQVRR-UJQPEBFZSA-N,"InChI=1S/C30H26O13/c31-12-6-16(34)23-22(7-12)43-30(11-4-18(36)27(40)19(37)5-11)28(41)25(23)24-17(35)9-21-13(26(24)39)8-20(38)29(42-21)10-1-2-14(32)15(33)3-10/h1-7,9,20,25,28-41H,8H2/t20-,25-,28-,29+,30+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C30H26O13,,594.1373408919999,SNJZSALXDDQVRR,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],3,3,6.491283178329468 19108,1112,3642,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,pos_2_2proton1ammonium,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19109,1111,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_2MNa,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 19110,1111,-1,,,,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_2MNa,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,0,7.0 19111,1110,287,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1proton1ammonium,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 19112,1110,287,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,NPAQHLFPEOMKAL-UHFFFAOYSA-N,"InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2",O=C(CCOC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,C15H20O8,pos_1_1proton1ammonium,328.1158176,NPAQHLFPEOMKAL,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],7,3,8.5 19113,1109,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6857721,ISDB,XDZMPRGFOOFSBL-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)",CCOc1ccccc1C(=O)O,C9H10O3,,166.06299418,XDZMPRGFOOFSBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Castanopsis cuspidata,448681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis cuspidata'],5,1,8.243088483810425 19114,1108,1818,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,pos_1_1proton1ammonium,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 19115,1107,2872,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,pos_1_1proton1ethylamine,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,1,7.5 19116,1106,3642,Terpenoids,Steroids,Steroidal alkaloids,0.0,MS1_match,NGSWUPZJKYFTDE-FADSCHIBSA-N,"InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1",CO[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]34)[C@@]2(C)C[C@@H]1O,C24H39NO2,pos_2_2proton1ammonium,373.298079488,NGSWUPZJKYFTDE,Terpenoids,Steroids,,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,2,7.0 19117,1105,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,3,9.5 19118,1105,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,3,9.5 19119,1105,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,3,9.5 19120,1105,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,3,9.5 19121,1105,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus mas,148277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus mas'],8,3,9.5 19122,1104,1058,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19123,1104,1058,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cornus florida,148264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus florida'],7,3,8.5 19124,1102,-1,,,,0.5641842,ISDB,IJFXRHURBJZNAO-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1cccc(O)c1,C7H6O3,,138.031694052,IJFXRHURBJZNAO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,10.256736755371094 19125,1101,2314,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.92890847,ISDB,VPAOSFFTKWUGAD-BGNCJLHMSA-N,"InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2o1,C15H16O8,,324.084517472,VPAOSFFTKWUGAD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],5,3,10.215633869171143 19126,1100,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.58668816,ISDB,UQKKDJWFQBNZBJ-MLYGIHNMSA-N,"InChI=1S/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15+,17-,18+,19+,20-/m0/s1",Oc1ccc([C@H]2Oc3cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C[C@@H]2O)cc1O,C20H22O10,,422.121296904,UQKKDJWFQBNZBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,11.846752643585205 19127,1099,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.50062007,ISDB,KTUWEEZXWATIOS-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c1-19-10-6-11(20-2)14(18)15-12(10)13(17)8-4-3-7(16)5-9(8)21-15/h3-6,16,18H,1-2H3",COc1cc(OC)c2c(=O)c3ccc(O)cc3oc2c1O,C15H12O6,,288.063388104,KTUWEEZXWATIOS,Shikimates and Phenylpropanoids,Xanthones,Plant xanthones,Alnus glutinosa,791130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus glutinosa'],6,1,8.502480268478394 19128,1097,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.49193823,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Juniperus chinensis,238573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus chinensis'],5,3,8.467752933502197 19129,1097,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.49193823,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Cryptomeria japonica,620749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cryptomeria'],['Cryptomeria japonica'],5,3,8.467752933502197 19130,1097,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.49193823,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Austrocedrus chilensis,216742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Austrocedrus'],['Austrocedrus chilensis'],5,3,8.467752933502197 19131,1096,3434,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.65590495,ISDB,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,3,11.123619794845581 19132,1095,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-QBSBYYDBSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_minus1proton1iron,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 19133,1095,-1,,,,0.0,MS1_match,HPQKNJHVWUWAOR-QBSBYYDBSA-N,"InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC[C@H](C)CC(=O)O,C20H32O4,pos_1_minus1proton1iron,336.23005950399994,HPQKNJHVWUWAOR,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],7,0,7.0 19134,1094,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27520102,ISDB,RBFUQMMJTXKBOG-YTSXHMEESA-N,"InChI=1S/C45H38O20/c46-16-8-21(50)31-30(9-16)63-42(13-1-2-18(47)20(49)3-13)39(61)35(31)33-23(52)12-24(53)34-36(40(62)43(65-45(33)34)15-6-27(56)38(60)28(57)7-15)32-22(51)11-19(48)17-10-29(58)41(64-44(17)32)14-4-25(54)37(59)26(55)5-14/h1-9,11-12,29,35-36,39-43,46-62H,10H2/t29-,35-,36+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C45H38O20,,898.195643616,RBFUQMMJTXKBOG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],3,3,5.600804090499878 19135,1091,-1,,,,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19136,1089,-1,,,,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_2_2proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19137,1085,-1,,,,0.0,MS1_match,LEUVSJRLKRPZQN-UXXRCYHCSA-N,"InChI=1S/C15H22O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h3-6,11-20H,1-2,7-8H2/t11-,12-,13+,14-,15-/m1/s1",OCCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H22O7,pos_1_1sodium,314.136553044,LEUVSJRLKRPZQN,,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 19138,1084,1114,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Phenylethanoids,0.0,MS1_match,LEUVSJRLKRPZQN-UXXRCYHCSA-N,"InChI=1S/C15H22O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h3-6,11-20H,1-2,7-8H2/t11-,12-,13+,14-,15-/m1/s1",OCCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H22O7,pos_1_1proton1ammonium,314.136553044,LEUVSJRLKRPZQN,,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 19139,1083,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 19140,1083,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 19141,1083,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19142,1082,2786,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.62648636,ISDB,,,,,,,ZOASRUGREWIJSO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5059454441070557 19143,1081,-1,,,,0.0,MS1_match,FGGMUXRNBCXUPD-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-3-6-15-8-10-19(22)18(13-15)16-9-11-20(23-2)17(14-16)7-4-5-12-21/h3-5,8-14,22H,1,6-7H2,2H3",C=CCc1ccc(O)c(-c2ccc(OC)c(CC=CC=O)c2)c1,C20H20O3,pos_1_1proton1dmso,308.1412445,FGGMUXRNBCXUPD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Magnolia obovata,674838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia obovata'],7,0,7.0 19144,1080,-1,,,,0.0,MS1_match,YQLBRAQABHCUCV-QEEIFZAPSA-N,"InChI=1S/C16H24O10/c1-5-2-7(18)10-6(14(22)23)4-24-15(9(5)10)26-16-13(21)12(20)11(19)8(3-17)25-16/h4-5,7-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,7-,8+,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@H]1C[C@H](O)[C@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C16H24O10,pos_1_1sodium,376.136946968,YQLBRAQABHCUCV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,0,7.0 19145,1079,558,Terpenoids,Monoterpenoids,Norlabdane diterpenoids,0.0,MS1_match,YQLBRAQABHCUCV-QEEIFZAPSA-N,"InChI=1S/C16H24O10/c1-5-2-7(18)10-6(14(22)23)4-24-15(9(5)10)26-16-13(21)12(20)11(19)8(3-17)25-16/h4-5,7-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,7-,8+,9+,10+,11+,12-,13+,15-,16-/m0/s1",C[C@H]1C[C@H](O)[C@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C16H24O10,pos_1_1proton1ammonium,376.136946968,YQLBRAQABHCUCV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cornus capitata,414779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus capitata'],7,2,8.0 19146,1078,-1,,,,0.0,MS1_match,YNBADRVTZLEFNH-UHFFFAOYSA-N,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",COC(=O)c1cccnc1,C7H7NO2,pos_1_1proton,137.047678464,YNBADRVTZLEFNH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],7,0,7.0 19147,1078,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 19148,1078,-1,,,,0.0,MS1_match,OERWDJCNWLSHGW-RIEGTJTDSA-N,"InChI=1S/C15H18O2/c1-14(2)10-3-4-11(8-16)15(7-10)12(9-17)5-6-13(14)15/h4-5,8-10,13H,3,6-7H2,1-2H3/t10-,13+,15-/m1/s1",CC1(C)[C@@H]2CC=C(C=O)[C@]3(C2)C(C=O)=CC[C@@H]13,C15H18O2,pos_2_2sodium,230.130679816,OERWDJCNWLSHGW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 19149,1077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37576243,ISDB,XFZJEEAOWLFHDH-AVFWISQGSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,3,9.003049731254578 19150,1077,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37576243,ISDB,XFZJEEAOWLFHDH-VUGKQVTMSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.1424262719999,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Juniperus sabina,209226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus sabina'],6,3,9.003049731254578 19151,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,0,4.913120448589325 19152,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Bupleurum acutifolium,884713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum acutifolium'],4,0,4.913120448589325 19153,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cleistopholis patens,3867599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cleistopholis'],['Cleistopholis patens'],4,0,4.913120448589325 19154,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,0,4.913120448589325 19155,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,0,4.913120448589325 19156,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lithraea molleoides,556811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Lithrea'],['Lithrea molleoides'],4,0,4.913120448589325 19157,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Schinus molle,411495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Schinus'],['Schinus molle'],4,0,4.913120448589325 19158,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus,266228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Unknown'],4,0,4.913120448589325 19159,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-GFCCVEGCSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m1/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,0,4.913120448589325 19160,1075,-1,,,,0.22828011,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pilocarpus riedelianus,6125579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Pilocarpus'],['Pilocarpus riedelianus'],4,0,4.913120448589325 19161,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VRCSTDIDMJHJBX-UYLIQQMISA-N,"InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc3c(c2O)[C@H](c2c(O)cc(O)c4c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C4)[C@@H](O)[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,VRCSTDIDMJHJBX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19162,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VRCSTDIDMJHJBX-UYLIQQMISA-N,"InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc3c(c2O)[C@H](c2c(O)cc(O)c4c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C4)[C@@H](O)[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,VRCSTDIDMJHJBX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19163,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VRCSTDIDMJHJBX-UYLIQQMISA-N,"InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc3c(c2O)[C@H](c2c(O)cc(O)c4c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C4)[C@@H](O)[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,VRCSTDIDMJHJBX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19164,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VRCSTDIDMJHJBX-UYLIQQMISA-N,"InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc3c(c2O)[C@H](c2c(O)cc(O)c4c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C4)[C@@H](O)[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,VRCSTDIDMJHJBX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,7.5 19165,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VRCSTDIDMJHJBX-UYLIQQMISA-N,"InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc3c(c2O)[C@H](c2c(O)cc(O)c4c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C4)[C@@H](O)[C@@H](c2ccc(O)c(O)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,VRCSTDIDMJHJBX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19166,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,JBDZOCOBUGXPJW-LYGYLKCLSA-N,"InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23-,27+,28-,29-,30+,31-,32-,33-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,JBDZOCOBUGXPJW,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19167,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,JBDZOCOBUGXPJW-LYGYLKCLSA-N,"InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23-,27+,28-,29-,30+,31-,32-,33-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,JBDZOCOBUGXPJW,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19168,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,JBDZOCOBUGXPJW-LYGYLKCLSA-N,"InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23-,27+,28-,29-,30+,31-,32-,33-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,JBDZOCOBUGXPJW,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19169,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,JBDZOCOBUGXPJW-LYGYLKCLSA-N,"InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23-,27+,28-,29-,30+,31-,32-,33-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,JBDZOCOBUGXPJW,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19170,1074,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,JBDZOCOBUGXPJW-LYGYLKCLSA-N,"InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23-,27+,28-,29-,30+,31-,32-,33-,36+/m1/s1",OC[C@H]1O[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C36H36O17,pos_1_1proton,740.195249692,JBDZOCOBUGXPJW,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,7.5 19171,1072,-1,,,,0.3347448,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,0,5.338979244232178 19172,1072,-1,,,,0.3347448,ISDB,XCSNBFJLRDSMQK-MPKXVKKWSA-N,"InChI=1S/C14H20/c1-9-6-7-14-10(2)4-5-12(11(14)3)8-13(9)14/h10,12H,3-8H2,1-2H3/t10-,12-,14-/m1/s1",C=C1[C@@H]2CC[C@@H](C)[C@]13CCC(C)=C3C2,C14H20,,188.15650064,XCSNBFJLRDSMQK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],4,0,5.338979244232178 19173,1071,-1,,,,0.31469148,ISDB,PAZIRMDVWSSYNT-PBJWJZLWSA-N,"InChI=1S/C11H19N3O/c1-8-4-5-9(11(8,2)3)6-7-13-14-10(12)15/h4,7,9H,5-6H2,1-3H3,(H3,12,14,15)/b13-7+/t9-/m0/s1",CC1=CC[C@@H](C/C=N/NC(N)=O)C1(C)C,C11H19N3O,,209.152812228,PAZIRMDVWSSYNT,Terpenoids,Monoterpenoids,,Anthemis aciphylla,386207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Anthemis'],['Anthemis aciphylla'],4,0,5.258765935897827 19174,1066,1786,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.69350153,ISDB,,,,,,,LLJZJNHOOHQEGE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7740061283111572 19175,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,7.5 19176,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VFVVDFLDUBZQGX-RRHNGELWSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49+,50-,52-,53-,54-,55-,56-,59-,60+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@@H]1c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@](c3ccc(O)c(O)c3)(O2)[C@@H]1O,C60H48O24,pos_1_1proton,1152.253552416,VFVVDFLDUBZQGX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,7.5 19177,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MIKRORKCMXNOCX-DYNSHIFESA-N,"InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44-,45+,46-,51-,52-,53-,54-,55-,59-,60+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,MIKRORKCMXNOCX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 19178,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MIKRORKCMXNOCX-IATHEQPCSA-N,"InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44+,45-,46+,51+,52+,53+,54+,55+,59+,60-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,MIKRORKCMXNOCX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19179,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MIKRORKCMXNOCX-IATHEQPCSA-N,"InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44+,45-,46+,51+,52+,53+,54+,55+,59+,60-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,MIKRORKCMXNOCX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19180,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MIKRORKCMXNOCX-IATHEQPCSA-N,"InChI=1S/C60H48O24/c61-23-13-35(72)41-39(15-23)80-54(20-2-6-27(64)32(69)10-20)51(77)44(41)48-50(76)47-45(43-37(74)18-30(67)25-17-38(75)53(81-56(25)43)19-1-5-26(63)31(68)9-19)52(78)55(21-3-7-28(65)33(70)11-21)82-57(47)49-46-42-36(73)14-24(62)16-40(42)83-60(59(46)79,84-58(48)49)22-4-8-29(66)34(71)12-22/h1-16,18,38,44-46,51-55,59,61-79H,17H2/t38-,44+,45-,46+,51+,52+,53+,54+,55+,59+,60-/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c3c1O[C@]1(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4[C@H]3[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,MIKRORKCMXNOCX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19181,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19182,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19183,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19184,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19185,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,7.5 19186,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19187,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 19188,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,QRQAODSINXAOBF-UKTWWWBFSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H48O24,pos_1_1proton,1152.253552416,QRQAODSINXAOBF,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,3,7.5 19189,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VFVVDFLDUBZQGX-RRHNGELWSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49+,50-,52-,53-,54-,55-,56-,59-,60+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@@H]1c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@](c3ccc(O)c(O)c3)(O2)[C@@H]1O,C60H48O24,pos_1_1proton,1152.253552416,VFVVDFLDUBZQGX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,3,7.5 19190,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,VFVVDFLDUBZQGX-RRHNGELWSA-N,"InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49+,50-,52-,53-,54-,55-,56-,59-,60+/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@@H]1c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)O[C@](c3ccc(O)c(O)c3)(O2)[C@@H]1O,C60H48O24,pos_1_1proton,1152.253552416,VFVVDFLDUBZQGX,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,3,7.5 19191,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19192,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19193,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,7.5 19194,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19195,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum bejolghota,864871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum bejolghota'],6,3,7.5 19196,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19197,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19198,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,3,7.5 19199,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,3,7.5 19200,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19201,1065,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,NSEWTSAADLNHNH-LSBOWGMISA-N,"InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4,C30H24O12,pos_2MH,576.1267762079998,NSEWTSAADLNHNH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,3,7.5 19202,1064,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,0,8.0 19203,1064,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 19204,1062,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IKJZALCMWOVXSW-LMNHQLLWSA-N,"InChI=1S/C61H46O40/c62-19-1-12(2-20(63)34(19)70)53(83)99-50-46(82)60(90)95-28-10-92-56(86)15-6-24(67)37(73)42(78)31(15)33-17(58(88)97-48(28)50)9-27(40(76)44(33)80)94-47-18(8-26(69)39(75)45(47)81)59(89)101-52-51(100-54(84)13-3-21(64)35(71)22(65)4-13)49-29(96-61(52)91)11-93-55(85)14-5-23(66)36(72)41(77)30(14)32-16(57(87)98-49)7-25(68)38(74)43(32)79/h1-9,28-29,46,48-52,60-82,90-91H,10-11H2/t28-,29-,46-,48-,49-,50-,51+,52-,60-,61-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]2OC3=O)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C61H46O40,pos_1_1proton1ammonium,1418.156536272,IKJZALCMWOVXSW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19205,1062,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,UFYKWHOUDUSOMB-UHFFFAOYSA-N,"InChI=1S/C61H46O40/c62-10-29(72)51(98-55(87)14-1-21(64)38(75)22(65)2-14)52-30(73)12-94-58(90)17-6-26(69)41(78)46(83)35(17)37-19(60(92)99-52)9-32(44(81)48(37)85)96-50-20(8-28(71)43(80)49(50)86)61(93)97-33(11-63)54(101-56(88)15-3-23(66)39(76)24(67)4-15)53-31(74)13-95-57(89)16-5-25(68)40(77)45(82)34(16)36-18(59(91)100-53)7-27(70)42(79)47(36)84/h1-11,29-31,33,51-54,64-86H,12-13H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(Oc3c(C(=O)OC(C=O)C(OC(=O)c4cc(O)c(O)c(O)c4)C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OCC4O)cc(O)c(O)c3O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C61H46O40,pos_1_1proton1ammonium,1418.1565362719994,UFYKWHOUDUSOMB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19206,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 19207,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],6,0,6.0 19208,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus asper,81468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus asper'],6,0,6.0 19209,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haematoxylum campechianum,180578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Haematoxylum'],['Haematoxylum campechianum'],6,0,6.0 19210,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 19211,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19212,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus arguricus,3924294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus arguricus'],6,0,6.0 19213,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus circassicus,6096091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus circassicus'],6,0,6.0 19214,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus captiosus,3924296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus captiosus'],6,0,6.0 19215,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus goktschaicus,5147756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus goktschaicus'],6,0,6.0 19216,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus sevangensis,3925423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus sevangensis'],6,0,6.0 19217,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus levieri,3923710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus levieri'],6,0,6.0 19218,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus onobrychis,340173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus onobrychis'],6,0,6.0 19219,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus bungeanus,3924045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus aduncus'],6,0,6.0 19220,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Onobrychis tanaitica,564663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis arenaria'],6,0,6.0 19221,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium alpestre,128247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium alpestre'],6,0,6.0 19222,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],6,0,6.0 19223,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 19224,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Onobrychis cyri,213478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis cyri'],6,0,6.0 19225,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Onobrychis viciifolia,359899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis viciifolia'],6,0,6.0 19226,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Albizia altissima,3919276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Cathormion'],['Cathormion altissimum'],6,0,6.0 19227,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus cicer,838609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus cicer'],6,0,6.0 19228,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus ciceroides,3924237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus ciceroides'],6,0,6.0 19229,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus saganlugensis,3923807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus saganlugensis'],6,0,6.0 19230,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium alexandrinum,128251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium alexandrinum'],6,0,6.0 19231,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium aureum,689166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium aureum'],6,0,6.0 19232,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus floccosifolius,3924893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus floccosifolius'],6,0,6.0 19233,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus robustus,127751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus robustus'],6,0,6.0 19234,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],6,0,6.0 19235,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cyamopsis tetragonoloba,91411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Cyamopsis'],['Cyamopsis tetragonoloba'],6,0,6.0 19236,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,MVFYXXNAFZRZAM-RGCYKPLRSA-N,"InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1",O=C(O)Cc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1acetonitrile,330.09508215599993,MVFYXXNAFZRZAM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Entada rheedei,659677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Entada'],['Entada rheedei'],6,0,6.0 19237,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1acetonitrile,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Onobrychis viciifolia,359899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis viciifolia'],6,0,6.0 19238,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1acetonitrile,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Onobrychis viciifolia,359899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis viciifolia'],6,0,6.0 19239,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium alpestre,128247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium alpestre'],6,0,6.0 19240,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],6,0,6.0 19241,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 19242,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Onobrychis cyri,213478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis cyri'],6,0,6.0 19243,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Onobrychis viciifolia,359899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis viciifolia'],6,0,6.0 19244,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Albizia altissima,3919276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Cathormion'],['Cathormion altissimum'],6,0,6.0 19245,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus cicer,838609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus cicer'],6,0,6.0 19246,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus ciceroides,3924237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus ciceroides'],6,0,6.0 19247,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus saganlugensis,3923807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus saganlugensis'],6,0,6.0 19248,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium pratense,839027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pratense'],6,0,6.0 19249,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium alexandrinum,128251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium alexandrinum'],6,0,6.0 19250,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium pratense,839027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pratense'],6,0,6.0 19251,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium medium,76048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium medium'],6,0,6.0 19252,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],6,0,6.0 19253,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],6,0,6.0 19254,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Caragana spinosa,232431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana spinosa'],6,0,6.0 19255,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus eximius,3923857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus eximius'],6,0,6.0 19256,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus mongholicus,445993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus mongholicus'],6,0,6.0 19257,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus membranaceus,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],6,0,6.0 19258,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus trimestris,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],6,0,6.0 19259,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Erythrina americana,3921497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina americana'],6,0,6.0 19260,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hedysarum coronarium,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,0,6.0 19261,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sulla coronaria,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,0,6.0 19262,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium aureum,689166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium aureum'],6,0,6.0 19263,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium medium,76048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium medium'],6,0,6.0 19264,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],6,0,6.0 19265,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],6,0,6.0 19266,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-SLZITWOASA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m0/s1",COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus falcatus,868704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus falcatus'],6,0,6.0 19267,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia arachnifera,3928756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia arachnifera'],6,0,6.0 19268,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia nuttalliana,3928772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia nuttalliana'],6,0,6.0 19269,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia tinctoria,259856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia tinctoria'],6,0,6.0 19270,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia cinerea,233090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia cinerea'],6,0,6.0 19271,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia calycosa,3928769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia calycosa'],6,0,6.0 19272,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia simplicifolia,3928771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia simplicifolia'],6,0,6.0 19273,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia bracteata,7055937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia bracteata'],6,0,6.0 19274,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia perfoliata,7055939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia perfoliata'],6,0,6.0 19275,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia lanceolata,3928755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia lanceolata'],6,0,6.0 19276,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus brachycarpus,3923915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus brachycarpus'],6,0,6.0 19277,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus onobrychis,340173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus onobrychis'],6,0,6.0 19278,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,pos_1_1proton1ethylamine,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 19279,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-SLZITWOASA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m0/s1",COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus falcatus,868704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus falcatus'],6,0,6.0 19280,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia nuttalliana,3928772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia nuttalliana'],6,0,6.0 19281,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia tinctoria,259856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia tinctoria'],6,0,6.0 19282,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia cinerea,233090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia cinerea'],6,0,6.0 19283,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia calycosa,3928769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia calycosa'],6,0,6.0 19284,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia simplicifolia,3928771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia simplicifolia'],6,0,6.0 19285,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia bracteata,7055937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia bracteata'],6,0,6.0 19286,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia perfoliata,7055939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia perfoliata'],6,0,6.0 19287,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia lanceolata,3928755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia lanceolata'],6,0,6.0 19288,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus brachycarpus,3923915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus brachycarpus'],6,0,6.0 19289,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus onobrychis,340173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus onobrychis'],6,0,6.0 19290,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 19291,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 19292,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baptisia arachnifera,3928756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Baptisia'],['Baptisia arachnifera'],6,0,6.0 19293,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,MVFYXXNAFZRZAM-RGCYKPLRSA-N,"InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1",O=C(O)Cc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1acetonitrile,330.09508215599993,MVFYXXNAFZRZAM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Entada pursaetha,655324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Entada'],['Entada pursaetha'],6,0,6.0 19294,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,NTNQTAISNHFKRA-UHFFFAOYSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)",O=C(O)C1=CC(O)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,pos_1_1proton1ethylamine,326.063782028,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 19295,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,NTNQTAISNHFKRA-UHFFFAOYSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)",O=C(O)C1=CC(O)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,pos_1_1proton1ethylamine,326.063782028,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 19296,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Caragana spinosa,232431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana spinosa'],6,0,6.0 19297,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus eximius,3923857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus eximius'],6,0,6.0 19298,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus mongholicus,445993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus mongholicus'],6,0,6.0 19299,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus membranaceus,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],6,0,6.0 19300,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus trimestris,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],6,0,6.0 19301,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Erythrina americana,3921497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina americana'],6,0,6.0 19302,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hedysarum coronarium,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,0,6.0 19303,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sulla coronaria,1094667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Sulla'],['Sulla coronaria'],6,0,6.0 19304,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cyamopsis tetragonoloba,91411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Cyamopsis'],['Cyamopsis tetragonoloba'],6,0,6.0 19305,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton1ammonium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],6,0,6.0 19306,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus robustus,127751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus robustus'],6,0,6.0 19307,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus floccosifolius,3924893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus floccosifolius'],6,0,6.0 19308,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,pos_1_1proton1ethylamine,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 19309,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],6,0,6.0 19310,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haematoxylum campechianum,180578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Haematoxylum'],['Haematoxylum campechianum'],6,0,6.0 19311,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 19312,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19313,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus arguricus,3924294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus arguricus'],6,0,6.0 19314,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus circassicus,6096091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus circassicus'],6,0,6.0 19315,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus captiosus,3924296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus captiosus'],6,0,6.0 19316,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus goktschaicus,5147756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus goktschaicus'],6,0,6.0 19317,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus sevangensis,3925423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus sevangensis'],6,0,6.0 19318,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus levieri,3923710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus levieri'],6,0,6.0 19319,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus onobrychis,340173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus onobrychis'],6,0,6.0 19320,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus bungeanus,3924045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus aduncus'],6,0,6.0 19321,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Onobrychis tanaitica,564663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis arenaria'],6,0,6.0 19322,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus asper,81468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus asper'],6,0,6.0 19323,1061,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.0,MS1_match,MVFYXXNAFZRZAM-RGCYKPLRSA-N,"InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1",O=C(O)Cc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1acetonitrile,330.09508215599993,MVFYXXNAFZRZAM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Entada phaseoloides,599227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Entada'],['Entada phaseoloides'],6,0,6.0 19324,1060,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.273315,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus pinnatifida,798280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus pinnatifida'],6,3,8.593260049819946 19325,1060,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.273315,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus laevigata,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.593260049819946 19326,1060,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.273315,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,3,8.593260049819946 19327,1060,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.273315,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,3,8.593260049819946 19328,1060,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.273315,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,3,8.593260049819946 19329,1060,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.273315,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],6,3,8.593260049819946 19330,1060,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.273315,ISDB,QFLMUASKTWGRQE-JNIIMKSASA-N,"InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C60H50O24,,1154.2692024800003,QFLMUASKTWGRQE,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],6,3,8.593260049819946 19331,1057,289,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 19332,1057,289,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19333,1057,289,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1sodium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19334,1056,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,0,8.0 19335,1056,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 19336,1056,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,PRBPGFIPERGSFI-SSLNLQFTSA-N,"InChI=1S/C14H18O8/c15-6-8-9(16)10(17)11(18)14(21-8)22-12(13(19)20)7-4-2-1-3-5-7/h1-5,8-12,14-18H,6H2,(H,19,20)/t8-,9-,10+,11-,12+,14+/m1/s1",O=C(O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,PRBPGFIPERGSFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 19337,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,2,9.0 19338,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,2,9.0 19339,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,2,9.0 19340,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,2,9.0 19341,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,2,9.0 19342,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,2,9.0 19343,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 19344,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 19345,1055,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,2,9.0 19346,1054,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 19347,1054,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MHNH3,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19348,1054,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MHNH3,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19349,1054,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_2MHCH3CN,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19350,1054,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_2MHCH3CN,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19351,1054,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MHNH3,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19352,1054,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 19353,1054,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 19354,1054,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 19355,1054,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 19356,1054,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 19357,1050,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1sodium,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 19358,1047,1114,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Phenylethanoids,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton1ammonium,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 19359,1045,960,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,QOGMUCMPFUUPLG-WOFUXFBZSA-N,"InChI=1S/C11H16O4/c1-5-8-6-7(2)11(3,10(13)14-4)15-9(8)12/h5,7H,6H2,1-4H3/b8-5+/t7-,11+/m1/s1",C/C=C1\C[C@@H](C)[C@@](C)(C(=O)OC)OC1=O,C11H16O4,pos_1_1proton1acetonitrile,212.104858992,QOGMUCMPFUUPLG,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 19360,1045,960,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,QOGMUCMPFUUPLG-UHFFFAOYSA-N,"InChI=1S/C11H16O4/c1-5-8-6-7(2)11(3,10(13)14-4)15-9(8)12/h5,7H,6H2,1-4H3",CC=C1CC(C)C(C)(C(=O)OC)OC1=O,C11H16O4,pos_1_1proton1acetonitrile,212.104858992,QOGMUCMPFUUPLG,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,0,7.0 19361,1044,960,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,SEOVTRFCIGRIMH-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",O=C(O)Cc1c[nH]c2ccccc12,C10H9NO2,pos_1_1proton1isopropanol,175.063328528,SEOVTRFCIGRIMH,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 19362,1044,960,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,SEOVTRFCIGRIMH-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",O=C(O)Cc1c[nH]c2ccccc12,C10H9NO2,pos_1_1proton1isopropanol,175.063328528,SEOVTRFCIGRIMH,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],6,3,7.5 19363,1043,-1,,,,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19364,1043,-1,,,,0.0,MS1_match,TXFPEBPIARQUIG-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",CC(=O)c1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,TXFPEBPIARQUIG,Shikimates and Phenylpropanoids,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19365,1038,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,0,9.0 19366,1038,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 19367,1037,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.5490998,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],4,3,7.696399211883545 19368,1037,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.5490998,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Remusatia vivipara,1023103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Remusatia'],['Remusatia vivipara'],4,3,7.696399211883545 19369,1037,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.5490998,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.696399211883545 19370,1037,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.5490998,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,3,7.696399211883545 19371,1037,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.5490998,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.696399211883545 19372,1037,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.5490998,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.696399211883545 19373,1036,787,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.7149119,ISDB,GASRJYBPBZZTBO-IIDMSEBBSA-N,"InChI=1S/C21H18O13/c22-10-1-8(2-11(23)16(10)26)20(31)33-14-5-7(19(29)30)6-15(18(14)28)34-21(32)9-3-12(24)17(27)13(25)4-9/h1-5,14-15,18,22-28H,6H2,(H,29,30)/t14-,15-,18-/m1/s1",O=C(O)C1=C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C21H18O13,,478.074740636,GASRJYBPBZZTBO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Castanopsis cuspidata,448681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis cuspidata'],0,3,4.359647512435913 19374,1036,787,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.7149119,ISDB,GASRJYBPBZZTBO-IIDMSEBBSA-N,"InChI=1S/C21H18O13/c22-10-1-8(2-11(23)16(10)26)20(31)33-14-5-7(19(29)30)6-15(18(14)28)34-21(32)9-3-12(24)17(27)13(25)4-9/h1-5,14-15,18,22-28H,6H2,(H,29,30)/t14-,15-,18-/m1/s1",O=C(O)C1=C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C21H18O13,,478.074740636,GASRJYBPBZZTBO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Castanopsis sieboldii,853655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis sieboldii'],0,3,4.359647512435913 19375,1035,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.29713878,ISDB,HUWTZBOJJBRSIK-JSWWDMIRSA-N,"InChI=1S/C19H29NO11/c1-29-17-10(4-19(28,8-22)5-11(17)23)20-9(2-3-13(20)24)7-30-18-16(27)15(26)14(25)12(6-21)31-18/h9,12,14-16,18,21-22,25-28H,2-8H2,1H3/t9-,12-,14-,15+,16-,18-,19+/m1/s1",COC1=C(N2C(=O)CC[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@](O)(CO)CC1=O,C19H29NO11,,447.1740607479999,HUWTZBOJJBRSIK,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Cladosporium herbarum,187461.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Capnodiales'],['Cladosporiaceae'],['Unknown'],['Cladosporium'],['Cladosporium herbarum'],1,1,2.688555121421814 19376,1035,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.29713878,ISDB,HUWTZBOJJBRSIK-JSWWDMIRSA-N,"InChI=1S/C19H29NO11/c1-29-17-10(4-19(28,8-22)5-11(17)23)20-9(2-3-13(20)24)7-30-18-16(27)15(26)14(25)12(6-21)31-18/h9,12,14-16,18,21-22,25-28H,2-8H2,1H3/t9-,12-,14-,15+,16-,18-,19+/m1/s1",COC1=C(N2C(=O)CC[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@](O)(CO)CC1=O,C19H29NO11,,447.1740607479999,HUWTZBOJJBRSIK,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Didymella pisi,287827.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Didymella'],['Didymella pisi'],1,1,2.688555121421814 19377,1035,748,Amino acids and Peptides,Isoflavonoids,Cassane diterpenoids,0.29713878,ISDB,HUWTZBOJJBRSIK-JSWWDMIRSA-N,"InChI=1S/C19H29NO11/c1-29-17-10(4-19(28,8-22)5-11(17)23)20-9(2-3-13(20)24)7-30-18-16(27)15(26)14(25)12(6-21)31-18/h9,12,14-16,18,21-22,25-28H,2-8H2,1H3/t9-,12-,14-,15+,16-,18-,19+/m1/s1",COC1=C(N2C(=O)CC[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@](O)(CO)CC1=O,C19H29NO11,,447.1740607479999,HUWTZBOJJBRSIK,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Ascochyta pisi,780680.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Ascochyta'],['Ascochyta pisi'],1,1,2.688555121421814 19378,1034,-1,,,,0.0,MS1_match,AUNPAALTSVXOPF-UHFFFAOYSA-N,"InChI=1S/C24H33NO5/c1-10(2)8-14-17-12(4)11(3)9-13-18-16(19(26)15-6-7-23(18,5)30-15)20(27)21(28)24(13,17)22(29)25-14/h9-10,12-18,20,27H,6-8H2,1-5H3,(H,25,29)",CC1=CC2C3C(C(=O)C4CCC3(C)O4)C(O)C(=O)C23C(=O)NC(CC(C)C)C3C1C,C24H33NO5,pos_1_minus1proton1iron,415.235873156,AUNPAALTSVXOPF,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aria elegans,4729358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aria'],['Aria elegans'],6,0,6.0 19379,1034,-1,,,,0.0,MS1_match,LDJWFMZLIFVZDH-UHFFFAOYSA-N,"InChI=1S/C24H33NO5/c1-13-15-5-8-24(19(13)27)17(11-15)23-7-4-6-22(3,16(23)12-18(24)30-14(2)26)20(28)25-9-10-29-21(23)25/h15-19,21,27H,1,4-12H2,2-3H3",C=C1C2CCC3(C(OC(C)=O)CC4C5(C)CCCC4(C4OCCN4C5=O)C3C2)C1O,C24H33NO5,pos_1_minus1proton1iron,415.235873156,LDJWFMZLIFVZDH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 19380,1034,-1,,,,0.0,MS1_match,DHBPYVIHAQUSGZ-VRNQLVLPSA-N,"InChI=1S/C24H33NO5/c1-13-12-23-8-5-15(13)11-16(23)24-7-4-6-22(3)18(24)17(29-14(2)27)19(23)30-21(24)25(9-10-26)20(22)28/h15-19,21,26H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19+,21+,22+,23?,24+/m0/s1",C=C1CC23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCO)[C@@H]1O[C@@H]3[C@@H](OC(C)=O)[C@@H]24,C24H33NO5,pos_1_minus1proton1iron,415.235873156,DHBPYVIHAQUSGZ,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 19381,1034,-1,,,,0.0,MS1_match,WYKSAMLNQLQCAL-NIEMIRBYSA-N,"InChI=1S/C24H33NO5/c1-13-15-5-8-24(19(13)29-14(2)27)17(11-15)23-7-4-6-22(3)16(23)12-18(24)30-21(23)25(9-10-26)20(22)28/h15-19,21,26H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19-,21+,22+,23-,24+/m0/s1",C=C1[C@H]2CC[C@]3([C@@H](C2)[C@@]24CCC[C@@]5(C)C(=O)N(CCO)[C@@H]2O[C@@H]3C[C@@H]45)[C@H]1OC(C)=O,C24H33NO5,pos_1_minus1proton1iron,415.235873156,WYKSAMLNQLQCAL,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 19382,1034,-1,,,,0.0,MS1_match,FMOXTYQIUUYGOB-OUXJVHRMSA-N,"InChI=1S/C24H33NO5/c1-13-15-4-7-23(20(13)29-14(2)27)17(10-15)24-12-25(8-9-26)21(28)22(3)6-5-18(24)30-19(23)11-16(22)24/h15-20,26H,1,4-12H2,2-3H3/t15-,16-,17+,18+,19-,20+,22+,23+,24+/m0/s1",C=C1[C@H]2CC[C@]3([C@@H](C2)[C@]24CN(CCO)C(=O)[C@]5(C)CC[C@H]2O[C@H]3C[C@H]45)[C@@H]1OC(C)=O,C24H33NO5,pos_1_minus1proton1iron,415.235873156,FMOXTYQIUUYGOB,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 19383,1034,-1,,,,0.0,MS1_match,SKHHEQWFHJZHLK-AMJQQQQASA-N,"InChI=1S/C24H33NO5/c1-13-11-23-9-6-16(13)10-17(23)24-8-5-7-22(4,21(28)25-12-24)19(24)18(29-14(2)26)20(23)30-15(3)27/h12,16-21,28H,1,5-11H2,2-4H3/t16-,17+,18-,19+,20+,21+,22+,23+,24+/m0/s1",C=C1C[C@]23CC[C@H]1C[C@H]2[C@]12C=N[C@H](O)[C@](C)(CCC1)[C@H]2[C@H](OC(C)=O)[C@H]3OC(C)=O,C24H33NO5,pos_1_minus1proton1iron,415.235873156,SKHHEQWFHJZHLK,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Spiraea japonica,785024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea japonica'],6,0,6.0 19384,1033,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IYMHVUYNBVWXKH-HUMDKZJCSA-N,"InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34+/m1/s1",O=C1OC[C@H]2O[C@H](O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,IYMHVUYNBVWXKH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19385,1033,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IYMHVUYNBVWXKH-HUMDKZJCSA-N,"InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34+/m1/s1",O=C1OC[C@H]2O[C@H](O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,IYMHVUYNBVWXKH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19386,1033,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19387,1033,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19388,1033,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19389,1032,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 19390,1032,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19391,1032,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19392,1032,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 19393,1032,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19394,1032,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 19395,1032,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 19396,1032,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 19397,1032,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 19398,1031,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.48916546,ISDB,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,11.456661820411682 19399,1031,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.48916546,ISDB,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,11.456661820411682 19400,1031,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.48916546,ISDB,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,11.456661820411682 19401,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 19402,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 19403,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 19404,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 19405,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 19406,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 19407,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19408,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19409,1030,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1proton1ammonium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19410,1029,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 19411,1029,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 19412,1029,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19413,1027,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.31064317,ISDB,HGVVOUNEGQIPMS-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O13,,594.137340892,HGVVOUNEGQIPMS,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,2,9.242572665214539 19414,1025,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercis canadensis,606503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Cercis'],['Cercis canadensis'],8,0,8.0 19415,1025,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercis canadensis,606503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Cercis'],['Cercis canadensis'],8,0,8.0 19416,1025,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercis canadensis,606503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Cercis'],['Cercis canadensis'],8,0,8.0 19417,1022,-1,,,,0.0,MS1_match,QFUYWQPDFLHXSV-MRXNPFEDSA-N,"InChI=1S/C21H26O5/c1-24-17-11-8-14-7-10-16(22)6-4-3-5-15-9-12-18(26-19(17)13-14)21(25-2)20(15)23/h8-9,11-13,16,22-23H,3-7,10H2,1-2H3/t16-/m1/s1",COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCC[C@@H](O)CC2,C21H26O5,pos_2MMg,358.178023932,QFUYWQPDFLHXSV,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,0,6.0 19418,1022,-1,,,,0.0,MS1_match,QFUYWQPDFLHXSV-MRXNPFEDSA-N,"InChI=1S/C21H26O5/c1-24-17-11-8-14-7-10-16(22)6-4-3-5-15-9-12-18(26-19(17)13-14)21(25-2)20(15)23/h8-9,11-13,16,22-23H,3-7,10H2,1-2H3/t16-/m1/s1",COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCC[C@@H](O)CC2,C21H26O5,pos_2MMg,358.178023932,QFUYWQPDFLHXSV,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,0,6.0 19419,1021,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.22680686,ISDB,FYRHTIWFKXZWAD-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3,5-6H,1,4,7H2,2H3",C=CCc1cc2c(cc1OC)OCO2,C11H12O3,,192.078644244,FYRHTIWFKXZWAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Heteromorpha arborescens var. abyssinica,367109.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Heteromorpheae'],['Heteromorpha'],['Heteromorpha arborescens'],5,3,7.407227456569672 19420,1019,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MNa,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 19421,1019,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MNa,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 19422,1019,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MNa,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 19423,1019,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MNa,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 19424,1019,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MNa,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 19425,1019,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MNa,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 19426,1019,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MNa,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19427,1019,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MNa,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19428,1019,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MNa,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19429,1018,1177,Amino acids and Peptides,Small peptides,Dipeptides,0.43505234,ISDB,PWIAWDVLQXARBI-CIUDSAMLSA-N,"InChI=1S/C11H20N2O3/c1-3-7(2)9-11(16)12-8(5-4-6-14)10(15)13-9/h7-9,14H,3-6H2,1-2H3,(H,12,16)(H,13,15)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCO)NC1=O,C11H20N2O3,,228.1473925,PWIAWDVLQXARBI,Amino acids and Peptides,Small peptides,Dipeptides,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,3,4.240209341049194 19430,1016,168,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JLEBZPBDRKPWTD-TURQNECASA-O,"InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1",NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,C11H15N2O5+,pos_2MHCH3CN,255.09754800009,JLEBZPBDRKPWTD,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 19431,1015,1916,Alkaloids,Ornithine alkaloids,Polyamines,0.56566167,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,10.762646675109863 19432,1013,967,Terpenoids,Small peptides,Aminoacids,0.5238954,ISDB,QIVBCDIJIAJPQS-UHFFFAOYSA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",NC(Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,9.595581531524658 19433,1013,967,Terpenoids,Small peptides,Aminoacids,0.5238954,ISDB,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,3,9.595581531524658 19434,1011,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3892981,ISDB,NBZYDZSLODGCDT-UHFFFAOYSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-26(8-14)53-34(12-3-21(44)31(50)22(45)4-12)36(55-37(52)13-5-23(46)32(51)24(47)6-13)29(27)28-18(41)10-16(39)15-9-25(48)33(54-35(15)28)11-1-19(42)30(49)20(43)2-11/h1-8,10,25,29,33-34,36,38-51H,9H2",O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1,C37H30O18,,762.14321412,NBZYDZSLODGCDT,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Phyllanthus emblica,399352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus emblica'],4,3,7.057192444801331 19435,1011,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3892981,ISDB,NBZYDZSLODGCDT-UXHRGAFFSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-26(8-14)53-34(12-3-21(44)31(50)22(45)4-12)36(55-37(52)13-5-23(46)32(51)24(47)6-13)29(27)28-18(41)10-16(39)15-9-25(48)33(54-35(15)28)11-1-19(42)30(49)20(43)2-11/h1-8,10,25,29,33-34,36,38-51H,9H2/t25-,29+,33+,34+,36+/m0/s1",O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@H](c2cc(O)c(O)c(O)c2)[C@@H](O)C3)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.14321412,NBZYDZSLODGCDT,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hamamelis virginiana,60713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Hamamelis'],['Hamamelis virginiana'],4,3,7.057192444801331 19436,1010,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1acetonitrile,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],6,0,6.0 19437,1010,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,LLLBDLDNTMMZHL-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H,O=Cc1ccc2occc2c1,C9H6O2,pos_1_1proton1acetonitrile,146.036779432,LLLBDLDNTMMZHL,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Tetrapanax papyrifer,383686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Tetrapanax'],['Tetrapanax papyrifer'],6,0,6.0 19438,1008,799,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 19439,1008,799,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],9,3,10.5 19440,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,3,9.5 19441,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 19442,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 19443,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 19444,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 19445,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,9.5 19446,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],8,3,9.5 19447,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],8,3,9.5 19448,1006,2550,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MHNH3,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,3,9.5 19449,1005,1749,Amino acids and Peptides,Small peptides,Dipeptides,0.52755475,ISDB,NFNVDJGXRFEYTK-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-7(12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,C11H20N2O5,,260.13722174,NFNVDJGXRFEYTK,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.6102190017700195 19450,1001,-1,,,,0.3604934,ISDB,DPEYEJOFAHQWJI-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h5-7,13H,3-4H2,1-2H3",COc1cc(CCC=O)cc(OC)c1O,C11H14O4,,210.089208928,DPEYEJOFAHQWJI,Alkaloids,,,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,0,8.441973567008972 19451,1000,-1,,,,0.0,MS1_match,LHGVFZTZFXWLCP-UHFFFAOYSA-N,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",COc1ccccc1O,C7H8O2,pos_2MHNH3,124.052429496,LHGVFZTZFXWLCP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 19452,1000,-1,,,,0.0,MS1_match,CFAKWWQIUFSQFU-UHFFFAOYSA-N,"InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3",CC1=C(O)C(=O)CC1,C6H8O2,pos_2MHCH3CN,112.052429496,CFAKWWQIUFSQFU,,,,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 19453,999,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.3066728,ISDB,QJGJAMWLRCWSIH-FYRBNYLKSA-N,"InChI=1S/C22H28O14/c1-31-10-4-8-2-3-14(25)32-9(8)5-11(10)33-22-20(18(29)16(27)13(7-24)35-22)36-21-19(30)17(28)15(26)12(6-23)34-21/h2-5,12-13,15-24,26-30H,6-7H2,1H3/t12-,13+,15+,16-,17-,18+,19+,20+,21+,22+/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C22H28O14,,516.147905576,QJGJAMWLRCWSIH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Viburnum tinus,51742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum tinus'],4,3,6.726691246032715 19454,998,-1,,,,0.0,MS1_match,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,pos_1_minus1proton1iron,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 19455,998,-1,,,,0.0,MS1_match,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,pos_1_minus1proton1iron,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Pinus yunnanensis,714289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus yunnanensis'],6,0,6.0 19456,998,-1,,,,0.0,MS1_match,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,pos_1_minus1proton1iron,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 19457,998,-1,,,,0.0,MS1_match,OQWKEEOHDMUXEO-BQYQJAHWSA-N,"InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+",CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1,C17H24O3,pos_1_minus1proton1iron,276.172544628,OQWKEEOHDMUXEO,,,,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 19458,997,-1,,,,0.0,MS1_match,GOZCEKPKECLKNO-RKQHYHRCSA-N,"InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C14H18O7,pos_1_1proton,298.105252916,GOZCEKPKECLKNO,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19459,995,-1,,,,0.0,MS1_match,OGYSYXDNLPNNPW-UHFFFAOYSA-N,"InChI=1S/C8H14O4/c1-2-3-6-12-8(11)5-4-7(9)10/h2-6H2,1H3,(H,9,10)",CCCCOC(=O)CCC(=O)O,C8H14O4,pos_2MNa,174.089208928,OGYSYXDNLPNNPW,Fatty acids,Fatty esters,Wax monoesters,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,0,6.0 19460,994,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.23436475,ISDB,,,,,,,CWEZAWNPTYBADX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9374589920043945 19461,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,1,6.5 19462,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,1,6.5 19463,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,1,6.5 19464,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,1,6.5 19465,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,1,6.5 19466,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,1,6.5 19467,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],6,1,6.5 19468,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus rhipidophylla,798267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus rhipidophylla'],6,1,6.5 19469,993,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],6,1,6.5 19470,992,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.0,MS1_match,MMPBHSBVPREJQC-GCJOFGIHSA-N,"InChI=1S/C15H16O9/c16-5-8-10(19)11(20)12(21)15(22-8)24-14-7(17)3-1-6-2-4-9(18)23-13(6)14/h1-4,8,10-12,15-17,19-21H,5H2/t8-,10-,11+,12-,15+/m1/s1",O=c1ccc2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,MMPBHSBVPREJQC,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Berchemia pakistanica,5922224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia pakistanica'],7,3,8.5 19471,992,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.0,MS1_match,MMPBHSBVPREJQC-GCJOFGIHSA-N,"InChI=1S/C15H16O9/c16-5-8-10(19)11(20)12(21)15(22-8)24-14-7(17)3-1-6-2-4-9(18)23-13(6)14/h1-4,8,10-12,15-17,19-21H,5H2/t8-,10-,11+,12-,15+/m1/s1",O=c1ccc2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1,C15H16O9,pos_1_1proton1methanol,340.0794320919999,MMPBHSBVPREJQC,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Berchemia pakistanica,5922224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia pakistanica'],7,3,8.5 19472,991,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.7197703,ISDB,UDTUCCXZNVRBEJ-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c1-5-2-6(18)10-7(19)3-8(20)11(15(10)24-5)16-14(23)13(22)12(21)9(4-17)25-16/h2-3,9,12-14,16-17,19-23H,4H2,1H3",Cc1cc(=O)c2c(O)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,C16H18O9,,354.095082156,UDTUCCXZNVRBEJ,Polyketides,Chromanes,Chromones,Rubus sanctus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],5,2,8.87908124923706 19473,991,288,Shikimates and Phenylpropanoids,Chromanes,Simple coumarins,0.7197703,ISDB,UDTUCCXZNVRBEJ-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c1-5-2-6(18)10-7(19)3-8(20)11(15(10)24-5)16-14(23)13(22)12(21)9(4-17)25-16/h2-3,9,12-14,16-17,19-23H,4H2,1H3",Cc1cc(=O)c2c(O)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1,C16H18O9,,354.095082156,UDTUCCXZNVRBEJ,Polyketides,Chromanes,Chromones,Rubus sanguineus,96557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus sanctus'],5,2,8.87908124923706 19474,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,12.44886827468872 19475,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,12.44886827468872 19476,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,12.44886827468872 19477,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,12.44886827468872 19478,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus maximowiczii,42872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus maximowiczii'],8,3,12.44886827468872 19479,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,12.44886827468872 19480,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,12.44886827468872 19481,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,12.44886827468872 19482,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,12.44886827468872 19483,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,12.44886827468872 19484,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,12.44886827468872 19485,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,12.44886827468872 19486,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,12.44886827468872 19487,989,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.73721707,ISDB,PFTAWBLQPZVEMU-DZGCQCFKSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],8,3,12.44886827468872 19488,985,2253,Terpenoids,Triterpenoids,Wax monoesters,0.23084018,ISDB,VZRKEAFHFMSHCD-UHFFFAOYSA-N,"InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3",CCCCN(CCC(=O)OCC)C(C)=O,C11H21NO3,,215.152143532,VZRKEAFHFMSHCD,Fatty acids,Fatty esters,Wax monoesters,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,6.423360705375671 19489,984,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 19490,984,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 19491,984,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 19492,984,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,0,8.0 19493,984,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,0,8.0 19494,984,-1,,,,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_1_1sodium,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,0,8.0 19495,984,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19496,984,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19497,984,-1,,,,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_1_1sodium,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19498,980,527,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,QHFWAPRVWFUVQH-GTFRVERFSA-N,"InChI=1S/C21H22O15/c22-9-1-7(2-10(23)14(9)27)19(31)34-5-13(26)17-16(29)18(30)21(33,36-17)6-35-20(32)8-3-11(24)15(28)12(25)4-8/h1-4,13,16-18,22-30,33H,5-6H2/t13-,16-,17-,18+,21-/m1/s1",O=C(OC[C@@H](O)[C@H]1O[C@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C21H22O15,pos_1_1proton1ammonium,514.095870004,QHFWAPRVWFUVQH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19499,979,1761,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.380373,ISDB,CYFGAUDUKUUIEV-IALJFVCMSA-N,"InChI=1S/C11H14O6/c1-16-9(13)7-4-17-10(14)8-6(7)2-3-11(8,15)5-12/h2-4,6,8,10,12,14-15H,5H2,1H3/t6-,8-,10-,11+/m1/s1",COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1C=C[C@]2(O)CO,C11H14O6,,242.079038168,CYFGAUDUKUUIEV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Tocoyena formosa,3877884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Tocoyena'],['Tocoyena formosa'],4,3,7.021492004394531 19500,978,208,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],6,3,7.5 19501,978,208,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,RQJDUEKERVZLLU-UHFFFAOYSA-N,"InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2",NCc1ccc(O)cc1,C7H9NO,pos_1_minus1proton2potassium,123.068413908,RQJDUEKERVZLLU,Amino acids and Peptides,Small peptides,Aminoacids,Cydonia vulgaris,316549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles sinensis'],6,3,7.5 19502,977,-1,,,,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19503,974,-1,,,,0.0,MS1_match,UIERETOOQGIECD-ONEGZZNKSA-N,"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+",C/C=C(\C)C(=O)O,C5H8O2,pos_1_1proton1ethylamine,100.052429496,UIERETOOQGIECD,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,0,6.0 19504,973,-1,,,,0.97194785,ISDB,WUUGFSXJNOTRMR-UHFFFAOYSA-N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)",CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C11H15N5O3S,,297.08956034,WUUGFSXJNOTRMR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,7.887791395187378 19505,973,-1,,,,0.97194785,ISDB,WUUGFSXJNOTRMR-IOSLPCCCSA-N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C11H15N5O3S,,297.08956034,WUUGFSXJNOTRMR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],4,0,7.887791395187378 19506,973,-1,,,,0.97194785,ISDB,WUUGFSXJNOTRMR-IOSLPCCCSA-N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C11H15N5O3S,,297.08956034,WUUGFSXJNOTRMR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Hyacinthoides non-scripta,268365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthoides'],['Hyacinthoides non-scripta'],4,0,7.887791395187378 19507,973,-1,,,,0.97194785,ISDB,WUUGFSXJNOTRMR-UHFFFAOYSA-N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)",CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C11H15N5O3S,,297.08956034,WUUGFSXJNOTRMR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,0,7.887791395187378 19508,973,-1,,,,0.97194785,ISDB,WUUGFSXJNOTRMR-IOSLPCCCSA-N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C11H15N5O3S,,297.08956034,WUUGFSXJNOTRMR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,0,7.887791395187378 19509,973,-1,,,,0.97194785,ISDB,WUUGFSXJNOTRMR-IOSLPCCCSA-N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C11H15N5O3S,,297.08956034,WUUGFSXJNOTRMR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,0,7.887791395187378 19510,972,-1,,,,0.0,MS1_match,JLJAVUZBHSLLJL-GKHNXXNSSA-N,"InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m0/s1",COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC,C22H28O5,pos_1_minus1proton1iron,372.1936739959999,JLJAVUZBHSLLJL,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Magnolia denudata,881612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia denudata'],7,0,7.0 19511,972,-1,,,,0.0,MS1_match,JLJAVUZBHSLLJL-GKHNXXNSSA-N,"InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m0/s1",COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC,C22H28O5,pos_1_minus1proton1iron,372.1936739959999,JLJAVUZBHSLLJL,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Magnolia soulangeana,3867233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia x soulangeana'],7,0,7.0 19512,971,510,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1ethylamine,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,1,7.5 19513,969,-1,,,,0.22772312,ISDB,BKABLXWGRDWHDB-XLZSCMRDSA-N,"InChI=1S/C25H34O14/c1-25(2)5-4-10-6-11(13(34-3)7-12(10)39-25)22(33)38-24-21(32)19(30)17(28)15(37-24)9-35-23-20(31)18(29)16(27)14(8-26)36-23/h4-7,14-21,23-24,26-32H,8-9H2,1-3H3/t14-,15-,16+,17+,18+,19+,20-,21-,23-,24+/m1/s1",COc1cc2c(cc1C(=O)O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C=CC(C)(C)O2,C25H34O14,,558.194855768,BKABLXWGRDWHDB,Terpenoids,,,Gentiana macrophylla,615941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana macrophylla'],4,0,4.910892486572266 19514,966,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19515,966,-1,,,,0.0,MS1_match,KTASKRCJBXZGMH-WMYNZDBHSA-N,"InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C24H37NO2,pos_1_1proton1ethylamine,371.28242942399993,KTASKRCJBXZGMH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19516,966,-1,,,,0.0,MS1_match,DARPNBBNASGJNY-BRSAXJGXSA-N,"InChI=1S/C26H41NO2/c1-16(28)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(27(6)7)24(19,2)3/h12,14,19-23,29H,8-11,13,15H2,1-7H3/t19-,20-,21-,22+,23+,25-,26+/m1/s1",CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C26H41NO2,pos_1_1proton1ammonium,399.313729552,DARPNBBNASGJNY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19517,965,-1,,,,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19518,963,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.20533448,ISDB,,,,,,,RGJAJCOCOZWPNI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8213379383087158 19519,957,2253,Terpenoids,Triterpenoids,Wax monoesters,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_2_1magnesium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,2,9.0 19520,956,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,9.5 19521,956,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus mahaleb,1012886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mahaleb'],8,3,9.5 19522,956,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19523,954,-1,,,,0.7204117,ISDB,HIRCZOSUMSSTDU-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h5-7,12H,8-10H2,1-4H3",CC1=CCC2(C)CC=CC(C)(C)C23CC13,C15H22,,202.172150704,HIRCZOSUMSSTDU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,0,6.8816468715667725 19524,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 19525,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 19526,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 19527,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 19528,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19529,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 19530,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 19531,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 19532,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19533,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus sargentii,1004550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sargentii'],8,3,9.5 19534,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 19535,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19536,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 19537,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 19538,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19539,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 19540,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 19541,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 19542,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 19543,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 19544,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus salicina,190311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus salicina'],8,3,9.5 19545,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 19546,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 19547,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 19548,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus zippeliana,45631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus zippeliana'],8,3,9.5 19549,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus laurocerasus,156912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus laurocerasus'],8,3,9.5 19550,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JURSRTDWSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12+,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19551,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 19552,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],8,3,9.5 19553,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 19554,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 19555,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19556,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19557,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 19558,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 19559,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 19560,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 19561,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19562,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus serrulata,746756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus serrulata'],8,3,9.5 19563,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19564,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 19565,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 19566,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus padus,1004570.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus padus'],8,3,9.5 19567,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 19568,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 19569,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JURSRTDWSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12+,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica var. nucipersica,200001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19570,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 19571,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,3,9.5 19572,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,9.5 19573,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 19574,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19575,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,3,9.5 19576,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 19577,953,2064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus sargentii,1004550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sargentii'],8,3,9.5 19578,952,1379,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19579,952,1379,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19580,952,1379,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19581,952,1379,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19582,952,1379,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19583,951,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 19584,951,-1,,,,0.0,MS1_match,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,pos_2_2proton,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 19585,948,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19586,948,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19587,948,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19588,948,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19589,948,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,3,10.5 19590,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lotus uliginosus,119025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus uliginosus'],4,0,5.387413263320923 19591,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lotus pedunculatus,484501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus pedunculatus'],4,0,5.387413263320923 19592,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],4,0,5.387413263320923 19593,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes sativum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],4,0,5.387413263320923 19594,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Crassula ovata,6043074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Crassula'],['Crassula ovata'],4,0,5.387413263320923 19595,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Witsenia maura,53785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Unknown'],['Witsenia'],['Witsenia maura'],4,0,5.387413263320923 19596,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Patersonia occidentalis,3998218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Unknown'],['Patersonia'],['Patersonia occidentalis'],4,0,5.387413263320923 19597,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Patersonia fragilis,688960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Unknown'],['Patersonia'],['Patersonia fragilis'],4,0,5.387413263320923 19598,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eugenia doubledayi,3936985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Eugenia'],['Eugenia doubledayi'],4,0,5.387413263320923 19599,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Syzygium aromaticum,200286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium aromaticum'],4,0,5.387413263320923 19600,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eugenia uniflora,1001992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Eugenia'],['Eugenia uniflora'],4,0,5.387413263320923 19601,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eugenia hirta,3937247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Eugenia'],['Eugenia hirta'],4,0,5.387413263320923 19602,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eugenia choapamensis,3937071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Eugenia'],['Eugenia choapamensis'],4,0,5.387413263320923 19603,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Eugenia prasina,5516575.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Eugenia'],['Eugenia prasina'],4,0,5.387413263320923 19604,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Syzygium grande,1040783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium grande'],4,0,5.387413263320923 19605,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Crassula argentea,6042986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Crassula'],['Crassula argentea'],4,0,5.387413263320923 19606,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Lathyrus pratensis,1018594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus pratensis'],4,0,5.387413263320923 19607,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Onobrychis cyri,213478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis cyri'],4,0,5.387413263320923 19608,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],4,0,5.387413263320923 19609,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Onobrychis viciifolia,359899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis viciifolia'],4,0,5.387413263320923 19610,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes sanguineum,104008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes sanguineum'],4,0,5.387413263320923 19611,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes alpinum,1034763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes alpinum'],4,0,5.387413263320923 19612,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],4,0,5.387413263320923 19613,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes cynosbati,280769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes cynosbati'],4,0,5.387413263320923 19614,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Melicope madagascariensis,5762673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Melicope'],['Melicope madagascariensis'],4,0,5.387413263320923 19615,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes maximoviczianum,3943288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes maximowiczii'],4,0,5.387413263320923 19616,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Salix cinerea,717148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Salicaceae'],['Saliceae'],['Salix'],['Salix cinerea'],4,0,5.387413263320923 19617,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes petraeum,154649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes petraeum'],4,0,5.387413263320923 19618,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes maximowiczianum,769233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes maximowiczianum'],4,0,5.387413263320923 19619,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Parrotia persica,256506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Parrotia'],['Parrotia persica'],4,0,5.387413263320923 19620,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Grevillea robusta,463107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Grevillea'],['Grevillea robusta'],4,0,5.387413263320923 19621,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ribes missouriense,769245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes missouriense'],4,0,5.387413263320923 19622,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pilea cadierei,762465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Urticaceae'],['Unknown'],['Pilea'],['Pilea cadierei'],4,0,5.387413263320923 19623,944,-1,,,,0.34685332,ISDB,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Jamesia americana,744934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Unknown'],['Jamesia'],['Jamesia americana'],4,0,5.387413263320923 19624,942,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IKJZALCMWOVXSW-LMNHQLLWSA-N,"InChI=1S/C61H46O40/c62-19-1-12(2-20(63)34(19)70)53(83)99-50-46(82)60(90)95-28-10-92-56(86)15-6-24(67)37(73)42(78)31(15)33-17(58(88)97-48(28)50)9-27(40(76)44(33)80)94-47-18(8-26(69)39(75)45(47)81)59(89)101-52-51(100-54(84)13-3-21(64)35(71)22(65)4-13)49-29(96-61(52)91)11-93-55(85)14-5-23(66)36(72)41(77)30(14)32-16(57(87)98-49)7-25(68)38(74)43(32)79/h1-9,28-29,46,48-52,60-82,90-91H,10-11H2/t28-,29-,46-,48-,49-,50-,51+,52-,60-,61-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]2OC3=O)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C61H46O40,pos_1_1proton1ammonium,1418.156536272,IKJZALCMWOVXSW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19625,942,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,UFYKWHOUDUSOMB-UHFFFAOYSA-N,"InChI=1S/C61H46O40/c62-10-29(72)51(98-55(87)14-1-21(64)38(75)22(65)2-14)52-30(73)12-94-58(90)17-6-26(69)41(78)46(83)35(17)37-19(60(92)99-52)9-32(44(81)48(37)85)96-50-20(8-28(71)43(80)49(50)86)61(93)97-33(11-63)54(101-56(88)15-3-23(66)39(76)24(67)4-15)53-31(74)13-95-57(89)16-5-25(68)40(77)45(82)34(16)36-18(59(91)100-53)7-27(70)42(79)47(36)84/h1-11,29-31,33,51-54,64-86H,12-13H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(Oc3c(C(=O)OC(C=O)C(OC(=O)c4cc(O)c(O)c(O)c4)C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OCC4O)cc(O)c(O)c3O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C61H46O40,pos_1_1proton1ammonium,1418.1565362719994,UFYKWHOUDUSOMB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19626,941,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Berchemia formosana,6109318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Berchemia'],['Berchemia formosana'],7,0,7.0 19627,939,3010,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,GNMSLDIYJOSUSW-LURJTMIESA-N,"InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1",CC(=O)N1CCC[C@H]1C(=O)O,C7H11NO3,pos_2MCa,157.073893212,GNMSLDIYJOSUSW,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 19628,938,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3747267,ISDB,NBZYDZSLODGCDT-UXHRGAFFSA-N,"InChI=1S/C37H30O18/c38-14-7-17(40)27-26(8-14)53-34(12-3-21(44)31(50)22(45)4-12)36(55-37(52)13-5-23(46)32(51)24(47)6-13)29(27)28-18(41)10-16(39)15-9-25(48)33(54-35(15)28)11-1-19(42)30(49)20(43)2-11/h1-8,10,25,29,33-34,36,38-51H,9H2/t25-,29+,33+,34+,36+/m0/s1",O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@H](c2cc(O)c(O)c(O)c2)[C@@H](O)C3)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C37H30O18,,762.14321412,NBZYDZSLODGCDT,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Hamamelis virginiana,60713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Hamamelis'],['Hamamelis virginiana'],5,3,7.998906850814819 19629,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],4,3,6.6356587409973145 19630,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper glaberrimum,6030786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper glaberrimum'],4,3,6.6356587409973145 19631,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,3,6.6356587409973145 19632,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Cissampelos glaberrima,5727731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Cissampelos'],['Cissampelos glaberrima'],4,3,6.6356587409973145 19633,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum gilletii,4728649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum gilletii'],4,3,6.6356587409973145 19634,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum zanthoxyloides,6125784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum zanthoxyloides'],4,3,6.6356587409973145 19635,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-NMMTYZSQSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6-,9-8+",CCC/C=C\C=C\C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,3,6.6356587409973145 19636,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-UHFFFAOYSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)",CCCC=CC=CC(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,3,6.6356587409973145 19637,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Piper arboreum,167786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper arboreum'],4,3,6.6356587409973145 19638,937,600,Alkaloids,Fatty amides,N-acyl amines,0.2839147,ISDB,VZASTVPVPUAAJK-BLHCBFLLSA-N,"InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+",CCC/C=C/C=C/C(=O)NCC(C)C,C12H21NO,,195.162314292,VZASTVPVPUAAJK,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum clava-herculis,3942437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum clava-herculis'],4,3,6.6356587409973145 19639,936,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28957105,ISDB,NVTLDVSBUJGIAD-QHBXHTPSSA-N,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34-,35+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C45H38O21,,914.1905582360004,NVTLDVSBUJGIAD,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],4,3,6.6582841873168945 19640,936,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.28957105,ISDB,NVTLDVSBUJGIAD-YXPYEDIHSA-N,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34+,35-,39+,40+,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C45H38O21,,914.190558236,NVTLDVSBUJGIAD,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],4,3,6.6582841873168945 19641,935,-1,,,,0.6052391,ISDB,,,,,,,ZOASRUGREWIJSO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4209563732147217 19642,929,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3335417,ISDB,HGVVOUNEGQIPMS-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O13,,594.137340892,HGVVOUNEGQIPMS,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,2,9.334166765213013 19643,927,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,BMVREUNZOSAHNV-AAMVCFQGSA-N,"InChI=1S/C14H16O9/c15-6-14(22,12(19)13(20)21)7-23-11(18)4-2-8-1-3-9(16)10(17)5-8/h1-5,12,15-17,19,22H,6-7H2,(H,20,21)/b4-2+/t12-,14+/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@](O)(CO)[C@@H](O)C(=O)O,C14H16O9,pos_1_1proton1ethylamine,328.079432092,BMVREUNZOSAHNV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bauhinia tarapotensis,3916404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia tarapotensis'],7,0,7.0 19644,925,27,,,,0.61591464,ISDB,,,,,,,LWKZKRBPODECEX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.463658571243286 19645,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-BAJUWZQUSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11-,12-,15-/m1/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 19646,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-HNNGNKQASA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1",C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.1542687719999,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19647,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 19648,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-HNNGNKQASA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1",C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.1542687719999,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Vigna mungo,1065954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna mungo'],6,0,6.0 19649,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-HNNGNKQASA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1",C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.1542687719999,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 19650,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Pisum,825832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Unknown'],6,0,6.0 19651,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-BAJUWZQUSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11-,12-,15-/m1/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 19652,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-HNNGNKQASA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1",C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.1542687719999,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19653,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 19654,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-HNNGNKQASA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1",C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.1542687719999,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Vigna mungo,1065954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna mungo'],6,0,6.0 19655,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-HNNGNKQASA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1",C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.1542687719999,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 19656,922,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-UHFFFAOYSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)",CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)CO,C15H21N5O5,pos_1_minus1proton2sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Pisum,825832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Unknown'],6,0,6.0 19657,922,-1,,,,0.0,MS1_match,PYUSHNKNPOHWEZ-UHFFFAOYSA-N,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)",CSCCC(NC=O)C(=O)O,C6H11NO3S,pos_2MHCH3CN,177.045964212,PYUSHNKNPOHWEZ,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19658,922,-1,,,,0.0,MS1_match,LBGAGBWSXXFWGZ-GORDUTHDSA-N,"InChI=1S/C6H11NO3S/c1-11(10)5-2-6(9)7-3-4-8/h2,5,8H,3-4H2,1H3,(H,7,9)/b5-2+",C[S+]([O-])/C=C/C(=O)NCCO,C6H11NO3S,pos_2MHCH3CN,177.045964212,LBGAGBWSXXFWGZ,Alkaloids,,,Entada rheedei,659677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Entada'],['Entada rheedei'],6,0,6.0 19659,922,-1,,,,0.0,MS1_match,LBGAGBWSXXFWGZ-DGXRNCNBSA-N,"InChI=1S/C6H11NO3S/c1-11(10)5-2-6(9)7-3-4-8/h2,5,8H,3-4H2,1H3,(H,7,9)/b5-2+/t11-/m0/s1",C[S@+]([O-])/C=C/C(=O)NCCO,C6H11NO3S,pos_2MHCH3CN,177.045964212,LBGAGBWSXXFWGZ,Alkaloids,,,Entada phaseoloides,599227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Entada'],['Entada phaseoloides'],6,0,6.0 19660,921,-1,,,,0.0,MS1_match,VUZYEALEJNVPDU-DGCAKLBHSA-N,"InChI=1S/C8H10O4/c9-5-2-1-4-3-6(10)12-8(4)7(5)11/h1-2,4-5,7-9,11H,3H2/t4-,5-,7+,8+/m0/s1",O=C1C[C@@H]2C=C[C@H](O)[C@@H](O)[C@@H]2O1,C8H10O4,pos_1_1proton1acetonitrile,170.0579088,VUZYEALEJNVPDU,,,,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,0,7.0 19661,920,-1,,,,0.6741809,ISDB,,,,,,,HOGIQTACRLIOHC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.696723699569702 19662,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-GFCCVEGCSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m1/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,1,5.9200979471206665 19663,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pilocarpus riedelianus,6125579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Pilocarpus'],['Pilocarpus riedelianus'],4,1,5.9200979471206665 19664,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus,266228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Unknown'],4,1,5.9200979471206665 19665,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lithraea molleoides,556811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Lithrea'],['Lithrea molleoides'],4,1,5.9200979471206665 19666,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,1,5.9200979471206665 19667,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Schinus molle,411495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Schinus'],['Schinus molle'],4,1,5.9200979471206665 19668,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cleistopholis patens,3867599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cleistopholis'],['Cleistopholis patens'],4,1,5.9200979471206665 19669,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Bupleurum acutifolium,884713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum acutifolium'],4,1,5.9200979471206665 19670,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,1,5.9200979471206665 19671,918,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.3550245,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,1,5.9200979471206665 19672,916,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,3,7.5 19673,916,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 19674,916,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-JCCHURMHSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29-,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 19675,916,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 19676,916,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,3,7.5 19677,916,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-KDHKCOGYSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29-,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 19678,915,104,Terpenoids,Steroids,Pregnane steroids,0.7091406,ISDB,HIRCZOSUMSSTDU-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h5-7,12H,8-10H2,1-4H3",CC1=CCC2(C)CC=CC(C)(C)C23CC13,C15H22,,202.172150704,HIRCZOSUMSSTDU,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,1,7.336562395095825 19679,914,1916,Alkaloids,Ornithine alkaloids,Polyamines,0.5455875,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Buxus natalensis,5232166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus natalensis'],7,3,10.682349920272827 19680,909,-1,,,,0.0,MS1_match,SMKZFVZXPZJPFK-RYNJIZPOSA-N,"InChI=1S/C25H41NO2/c1-15(26-6)20-16(27)13-23(5)18-8-7-17-21(2,3)19(28)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h15-18,20,26-27H,7-14H2,1-6H3/t15-,16-,17+,18+,20+,22-,23+,24-,25+/m1/s1",CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C,C25H41NO2,pos_1_1proton1ammonium,387.313729552,SMKZFVZXPZJPFK,Terpenoids,Steroids,Pregnane steroids,Buxus microphylla,1098659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus microphylla'],7,0,7.0 19681,909,-1,,,,0.0,MS1_match,ATAITAIVBBHZKI-VXQLOYKSSA-N,"InChI=1S/C25H41NO2/c1-15(27)20-16(28)13-23(5)18-8-7-17-21(2,3)19(26-6)9-10-24(17)14-25(18,24)12-11-22(20,23)4/h16-20,26,28H,7-14H2,1-6H3/t16-,17+,18+,19+,20+,22-,23+,24-,25+/m1/s1",CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C,C25H41NO2,pos_1_1proton1ammonium,387.313729552,ATAITAIVBBHZKI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus hildebrandtii,572091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus hildebrandtii'],7,0,7.0 19682,907,-1,,,,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_1_1proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19683,906,-1,,,,0.0,MS1_match,BSNZFQANPMIOIU-WZBMPAQFSA-N,"InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H42N2O,pos_1_1proton1methanol,386.3297139639999,BSNZFQANPMIOIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19684,906,-1,,,,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_1_1proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19685,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 19686,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MHNH3,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19687,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MHNH3,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19688,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WQSDYZZEIBAPIN-DUXPYHPUSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1O,C15H18O9,pos_2MHNH3,342.0950821559999,WQSDYZZEIBAPIN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 19689,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 19690,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus buergeriana,528520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus buergeriana'],8,3,9.5 19691,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 19692,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus ssiori,3902756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus ssiori'],8,3,9.5 19693,905,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JVVFTHAOTNXPOZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-8-3-1-7(5-9(8)17)2-4-11(18)23-6-10-12(19)13(20)14(21)15(22)24-10/h1-5,10,12-17,19-22H,6H2/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O9,pos_2MHNH3,342.0950821559999,JVVFTHAOTNXPOZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus grayana,870878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus grayana'],8,3,9.5 19694,904,2310,Terpenoids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,GNRVDDAXIDKEFJ-VGAWZIALSA-N,"InChI=1S/C25H39NO2/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)27)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)26(5)6/h17-21,28H,1,7-14H2,2-6H3/t17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1",C=C1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13,C25H39NO2,pos_2_2proton1ammonium,385.298079488,GNRVDDAXIDKEFJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19695,900,1761,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1methanol,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 19696,899,672,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.7429993,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Juniperus excelsa,283344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus excelsa'],6,3,10.471997261047363 19697,898,-1,,,,0.0,MS1_match,KEQHTOUDMQKLFW-QPJKTJHZSA-N,"InChI=1S/C26H43NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-19,21,28H,8-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1",C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C,C26H43NO2,pos_2_2proton1ammonium,401.329379616,KEQHTOUDMQKLFW,Terpenoids,Steroids,Pregnane steroids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19698,897,9,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6217249,ISDB,YIKYNHJUKRTCJL-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3",CCc1occc(=O)c1O,C7H8O3,,140.047344116,YIKYNHJUKRTCJL,Polyketides,Cyclic polyketides,4-pyrone derivatives,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],3,0,5.4868996143341064 19699,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-DPRDWZRASA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Fagopyrum esculentum,904381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Fagopyreae'],['Fagopyrum'],['Fagopyrum esculentum'],4,3,7.8891377449035645 19700,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-ZZIZYRMTSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16-,17-,18+,19-,20+,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Rhaphiolepis indica,316539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Rhaphiolepis'],['Rhaphiolepis indica'],4,3,7.8891377449035645 19701,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-ZZIZYRMTSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16-,17-,18+,19-,20+,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Betula papyrifera,267725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula papyrifera'],4,3,7.8891377449035645 19702,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-RJNJCGSWSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16?,17+,18-,19?,20+,21+/m0/s1",OCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)C(O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Ulmus davidiana,4729838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Ulmaceae'],['Unknown'],['Ulmus'],['Ulmus davidiana'],4,3,7.8891377449035645 19703,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-DPRDWZRASA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Vigna angularis,1065959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna angularis'],4,3,7.8891377449035645 19704,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-DPRDWZRASA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Excoecaria agallocha,475587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria agallocha'],4,3,7.8891377449035645 19705,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-UHFFFAOYSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2",OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Borago officinalis,725935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Boragineae'],['Borago'],['Borago officinalis'],4,3,7.8891377449035645 19706,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-RJNJCGSWSA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16?,17+,18-,19?,20+,21+/m0/s1",OCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)C(O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Paeonia obovata,163406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia obovata'],4,3,7.8891377449035645 19707,896,2409,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.59728444,ISDB,VLFIBROLAXKPQK-DPRDWZRASA-N,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8/h1-5,14,16-29H,6-7H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1",OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O,C21H24O11,,452.131861588,VLFIBROLAXKPQK,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],4,3,7.8891377449035645 19708,895,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 19709,889,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.48324975,ISDB,SJDDGZBVGOKCKT-AUAPZSSCSA-N,"InChI=1S/C30H24O14/c31-11-5-14(33)22-20(6-11)43-30(10-3-17(36)26(40)18(37)4-10)29(41)24(22)23-21(44-30)8-13(32)12-7-19(38)27(42-28(12)23)9-1-15(34)25(39)16(35)2-9/h1-6,8,19,24,27,29,31-41H,7H2/t19-,24+,27+,29+,30-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3cc(O)c(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C4,C30H24O14,,608.116605448,SJDDGZBVGOKCKT,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Phyllanthus emblica,399352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus emblica'],4,3,7.432999014854431 19710,888,2697,Terpenoids,Triterpenoids,Steroidal alkaloids,0.0,MS1_match,VSOMBMILGWLJQZ-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(29(7)8)21-14-16-27(5)23-11-10-22-19(9-12-24(28-6)25(22,2)3)17-20(23)13-15-26(21,27)4/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C27H46N2,pos_2_1magnesium,398.366099472,VSOMBMILGWLJQZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19711,888,2697,Terpenoids,Triterpenoids,Steroidal alkaloids,0.0,MS1_match,ZKQCFKWMWXFCIU-WRMBYBKZSA-N,"InChI=1S/C27H46N2/c1-18(28-6)21-14-16-27(5)23-11-10-22-19(17-20(23)13-15-26(21,27)4)9-12-24(29(7)8)25(22,2)3/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1",CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C27H46N2,pos_2_1magnesium,398.366099472,ZKQCFKWMWXFCIU,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,3,9.5 19712,887,1859,Terpenoids,Nicotinic acid alkaloids,Fatty alcohols,0.0,MS1_match,VSMOENVRRABVKN-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C=CC(O)CCCCC,C8H16O,pos_1_1proton1acetonitrile,128.120115132,VSMOENVRRABVKN,Fatty acids,Fatty acyls,Fatty alcohols,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 19713,886,-1,,,,0.23944408,ISDB,,,,,,,WMZAOQCUUOUCRY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9577763080596924 19714,884,-1,,,,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_1_minus1proton1magnesium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19715,883,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.502219,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.508876085281372 19716,881,-1,,,,0.49180812,ISDB,DVJHWTLBEYCZJZ-VGMNWLOBSA-N,"InChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1",C[C@H](O)C[C@@H]1CCC[C@@H](C)N1,C9H19NO,,157.146664228,DVJHWTLBEYCZJZ,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,8.967232465744019 19717,879,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.394789,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Platycarya strobilacea,264610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Platycarya'],['Platycarya strobilacea'],5,3,8.079156041145325 19718,879,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.394789,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus robur,239659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus robur'],5,3,8.079156041145325 19719,879,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.394789,ISDB,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Castanea,452591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Unknown'],5,3,8.079156041145325 19720,879,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.394789,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],5,3,8.079156041145325 19721,877,-1,,,,0.2411629,ISDB,,,,,,,ACQDTADHVBZARB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9646515846252441 19722,876,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.3529956,ISDB,HGVVOUNEGQIPMS-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O13,,594.137340892,HGVVOUNEGQIPMS,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,2,9.411982417106628 19723,875,2697,Terpenoids,Triterpenoids,Steroidal alkaloids,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_2_1magnesium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,2,9.0 19724,874,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.5619008,ISDB,,,,,,,NABYCXSHQMCCEZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.247603178024292 19725,873,-1,,,,0.0,MS1_match,GNMSLDIYJOSUSW-LURJTMIESA-N,"InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1",CC(=O)N1CCC[C@H]1C(=O)O,C7H11NO3,pos_2MCa,157.073893212,GNMSLDIYJOSUSW,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 19726,872,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,YDDGKXBLOXEEMN-IABMMNSOSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,pos_1_1proton,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,1,6.5 19727,872,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,YDDGKXBLOXEEMN-IABMMNSOSA-N,"InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C22H18O12,pos_1_1proton,474.0798260159999,YDDGKXBLOXEEMN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,1,6.5 19728,871,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.91580856,ISDB,ICIIWGMCNMZIQX-NSHDSACASA-N,"InChI=1S/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1",N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O,C13H18N2O4,,266.126657056,ICIIWGMCNMZIQX,Amino acids and Peptides,Small peptides,Aminoacids,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,0,3.663234233856201 19729,871,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.91580856,ISDB,ICIIWGMCNMZIQX-NSHDSACASA-N,"InChI=1S/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1",N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O,C13H18N2O4,,266.126657056,ICIIWGMCNMZIQX,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],0,0,3.663234233856201 19730,871,752,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.91580856,ISDB,ICIIWGMCNMZIQX-NSHDSACASA-N,"InChI=1S/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1",N[C@@H](CCC(=O)NCCc1ccc(O)cc1)C(=O)O,C13H18N2O4,,266.126657056,ICIIWGMCNMZIQX,Amino acids and Peptides,Small peptides,Aminoacids,Tephrosia noctiflora,3920245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia noctiflora'],0,0,3.663234233856201 19731,870,1115,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.75520897,ISDB,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cercis chinensis,214129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Cercis'],['Cercis chinensis'],8,3,12.520835876464844 19732,866,-1,,,,0.0,MS1_match,BPRJTLAULHNDLP-HZMVEIRTSA-N,"InChI=1S/C17H25ClO3/c1-2-3-4-5-8-11-16-17(21-16)12-9-6-7-10-14(19)15(20)13-18/h14-17,19-20H,2-5,8,11-13H2,1H3/t14-,15+,16+,17-/m0/s1",CCCCCCC[C@H]1O[C@H]1CC#CC#C[C@H](O)[C@H](O)CCl,C17H25ClO3,pos_3_3sodium,312.14922234,BPRJTLAULHNDLP,Fatty acids,Fatty acyls,Fatty alcohols,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 19733,865,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.69703144,ISDB,VFSWRBJYBQXUTE-NHCUHLMSSA-N,"InChI=1S/C22H16O11/c23-10-1-2-11-16(7-10)32-20(8-3-12(24)18(29)13(25)4-8)21(17(11)28)33-22(31)9-5-14(26)19(30)15(27)6-9/h1-7,20-21,23-27,29-30H/t20-,21-/m1/s1",O=C(O[C@@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H16O11,,456.069261332,VFSWRBJYBQXUTE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Cyclopia subternata,456904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cyclopia'],['Cyclopia subternata'],4,2,7.78812575340271 19734,865,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.69703144,ISDB,VFSWRBJYBQXUTE-NHCUHLMSSA-N,"InChI=1S/C22H16O11/c23-10-1-2-11-16(7-10)32-20(8-3-12(24)18(29)13(25)4-8)21(17(11)28)33-22(31)9-5-14(26)19(30)15(27)6-9/h1-7,20-21,23-27,29-30H/t20-,21-/m1/s1",O=C(O[C@@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C22H16O11,,456.069261332,VFSWRBJYBQXUTE,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Cyclopia falcata,786749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cyclopia'],['Cyclopia falcata'],4,2,7.78812575340271 19735,863,963,Polyketides,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1ethylamine,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 19736,862,1699,Polyketides,Phenylethanoids (C6-C2),Phenylethanoids,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1ammonium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,3,7.5 19737,861,-1,,,,0.0,MS1_match,WXTPOHDTGNYFSB-RMPHRYRLSA-N,"InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O8,pos_1_1sodium,288.084517472,WXTPOHDTGNYFSB,Polyketides,Phloroglucinols,Acyl phloroglucinols,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 19738,860,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IKJZALCMWOVXSW-LMNHQLLWSA-N,"InChI=1S/C61H46O40/c62-19-1-12(2-20(63)34(19)70)53(83)99-50-46(82)60(90)95-28-10-92-56(86)15-6-24(67)37(73)42(78)31(15)33-17(58(88)97-48(28)50)9-27(40(76)44(33)80)94-47-18(8-26(69)39(75)45(47)81)59(89)101-52-51(100-54(84)13-3-21(64)35(71)22(65)4-13)49-29(96-61(52)91)11-93-55(85)14-5-23(66)36(72)41(77)30(14)32-16(57(87)98-49)7-25(68)38(74)43(32)79/h1-9,28-29,46,48-52,60-82,90-91H,10-11H2/t28-,29-,46-,48-,49-,50-,51+,52-,60-,61-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]2OC3=O)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C61H46O40,pos_1_1proton1ammonium,1418.156536272,IKJZALCMWOVXSW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19739,860,1582,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,UFYKWHOUDUSOMB-UHFFFAOYSA-N,"InChI=1S/C61H46O40/c62-10-29(72)51(98-55(87)14-1-21(64)38(75)22(65)2-14)52-30(73)12-94-58(90)17-6-26(69)41(78)46(83)35(17)37-19(60(92)99-52)9-32(44(81)48(37)85)96-50-20(8-28(71)43(80)49(50)86)61(93)97-33(11-63)54(101-56(88)15-3-23(66)39(76)24(67)4-15)53-31(74)13-95-57(89)16-5-25(68)40(77)45(82)34(16)36-18(59(91)100-53)7-27(70)42(79)47(36)84/h1-11,29-31,33,51-54,64-86H,12-13H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(Oc3c(C(=O)OC(C=O)C(OC(=O)c4cc(O)c(O)c(O)c4)C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OCC4O)cc(O)c(O)c3O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C61H46O40,pos_1_1proton1ammonium,1418.1565362719994,UFYKWHOUDUSOMB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 19740,855,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 19741,853,-1,,,,0.0,MS1_match,GFMJTKMWLNEZHB-WCBMZHEXSA-N,"InChI=1S/C10H14O2/c1-6(2)10-4-8(10)7(5-11)3-9(10)12/h3,6,8,11H,4-5H2,1-2H3/t8-,10+/m0/s1",CC(C)[C@]12C[C@H]1C(CO)=CC2=O,C10H14O2,pos_1_1proton1acetonitrile,166.099379688,GFMJTKMWLNEZHB,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,0,6.0 19742,853,-1,,,,0.0,MS1_match,QRYRORQUOLYVBU-VBKZILBWSA-N,"InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1",CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2,C20H28O4,pos_2_2proton2acetonitrile,332.19875937599994,QRYRORQUOLYVBU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19743,853,-1,,,,0.0,MS1_match,VHVOLFRBFDOUSH-NSCUHMNNSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",C/C=C/c1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,0,6.0 19744,853,-1,,,,0.0,MS1_match,VHVOLFRBFDOUSH-NSCUHMNNSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+",C/C=C/c1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,VHVOLFRBFDOUSH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Damburneya cufodontisii,6026959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya cufodontisii'],6,0,6.0 19745,853,-1,,,,0.0,MS1_match,CCRCUPLGCSFEDV-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3",COC(=O)C=Cc1ccccc1,C10H10O2,pos_1_1proton1ethylamine,162.06807956,CCRCUPLGCSFEDV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ocotea quixos,218927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea quixos'],6,0,6.0 19746,853,-1,,,,0.0,MS1_match,CCRCUPLGCSFEDV-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3",COC(=O)C=Cc1ccccc1,C10H10O2,pos_1_1proton1ethylamine,162.06807956,CCRCUPLGCSFEDV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19747,853,-1,,,,0.0,MS1_match,CCRCUPLGCSFEDV-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3",COC(=O)C=Cc1ccccc1,C10H10O2,pos_1_1proton1ethylamine,162.06807956,CCRCUPLGCSFEDV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19748,853,-1,,,,0.0,MS1_match,CCRCUPLGCSFEDV-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3",COC(=O)C=Cc1ccccc1,C10H10O2,pos_1_1proton1ethylamine,162.06807956,CCRCUPLGCSFEDV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lindera erythrocarpa,971385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera erythrocarpa'],6,0,6.0 19749,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ocotea odorifera,495879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea odorifera'],6,0,6.0 19750,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum oliveri,5699214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum oliveri'],6,0,6.0 19751,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],6,0,6.0 19752,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aniba canelilla,6025330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba canelilla'],6,0,6.0 19753,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sassafras albidum,998890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras albidum'],6,0,6.0 19754,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ocotea longifolia,361104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea longifolia'],6,0,6.0 19755,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sassafras randaiense,499432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sassafras'],['Sassafras randaiense'],6,0,6.0 19756,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lindera neesiana,356806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera fruticosa'],6,0,6.0 19757,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Nectandra angustifolia,5699192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra angustifolia'],6,0,6.0 19758,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Damburneya cufodontisii,6026959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya cufodontisii'],6,0,6.0 19759,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum camphora,849188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum camphora'],6,0,6.0 19760,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Licaria puchury-major,6026443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria puchury-major'],6,0,6.0 19761,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cryptocarya agathophylla,6025872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya agathophylla'],6,0,6.0 19762,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19763,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19764,853,-1,,,,0.0,MS1_match,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C=CCc1ccc2c(c1)OCO2,C10H10O2,pos_1_1proton1ethylamine,162.06807956,ZMQAAUBTXCXRIC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,0,6.0 19765,853,-1,,,,0.0,MS1_match,KKVZAVRSVHUSPL-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3",COc1ccccc1C=CC=O,C10H10O2,pos_1_1proton1ethylamine,162.06807956,KKVZAVRSVHUSPL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ocotea quixos,218927.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea quixos'],6,0,6.0 19766,853,-1,,,,0.0,MS1_match,KKVZAVRSVHUSPL-GQCTYLIASA-N,"InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+",COc1ccccc1/C=C/C=O,C10H10O2,pos_1_1proton1ethylamine,162.06807956,KKVZAVRSVHUSPL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19767,853,-1,,,,0.0,MS1_match,KKVZAVRSVHUSPL-GQCTYLIASA-N,"InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+",COc1ccccc1/C=C/C=O,C10H10O2,pos_1_1proton1ethylamine,162.06807956,KKVZAVRSVHUSPL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19768,853,-1,,,,0.0,MS1_match,KKVZAVRSVHUSPL-GQCTYLIASA-N,"InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+",COc1ccccc1/C=C/C=O,C10H10O2,pos_1_1proton1ethylamine,162.06807956,KKVZAVRSVHUSPL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 19769,853,-1,,,,0.0,MS1_match,QRYRORQUOLYVBU-VBKZILBWSA-N,"InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1",CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2,C20H28O4,pos_2_2proton2acetonitrile,332.19875937599994,QRYRORQUOLYVBU,Terpenoids,Diterpenoids,Abietane diterpenoids,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19770,853,-1,,,,0.0,MS1_match,ILBLNWRALCTWGL-LYDSDTOKSA-N,"InChI=1S/C25H38O2/c1-3-4-5-6-7-8-9-10-11-18-19-14-15-20-21(25(26)27-2)13-12-17-16-22(18)24(19)23(17)20/h12-15,17-24H,3-11,16H2,1-2H3/t17-,18-,19-,20+,21-,22+,23-,24-/m1/s1",CCCCCCCCCC[C@@H]1[C@H]2C=C[C@@H]3[C@@H]4[C@H]2[C@H]1C[C@H]4C=C[C@H]3C(=O)OC,C25H38O2,pos_2_2sodium,370.287180456,ILBLNWRALCTWGL,,,,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],6,0,6.0 19771,852,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-UHFFFAOYSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3",CC1=C(C)C2CCC1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19772,852,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-DTORHVGOSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+",CC1=C(C)[C@H]2CC[C@@H]1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19773,852,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_1_1proton,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19774,851,-1,,,,0.0,MS1_match,BRKREXSOPCTPTI-BLXLMBLLSA-N,"InChI=1S/C24H38N2O2/c1-15(26(4)5)17-8-9-18-16-6-7-20-22(28)21(25-14-27)11-13-24(20,3)19(16)10-12-23(17,18)2/h11,14-20H,6-10,12-13H2,1-5H3,(H,25,27)/t15-,16-,17+,18-,19-,20-,23+,24+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC=O)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C24H38N2O2,pos_1_1proton1methanol,386.293328456,BRKREXSOPCTPTI,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],6,0,6.0 19775,850,-1,,,,0.29748374,ISDB,PAZIRMDVWSSYNT-PBJWJZLWSA-N,"InChI=1S/C11H19N3O/c1-8-4-5-9(11(8,2)3)6-7-13-14-10(12)15/h4,7,9H,5-6H2,1-3H3,(H3,12,14,15)/b13-7+/t9-/m0/s1",CC1=CC[C@@H](C/C=N/NC(N)=O)C1(C)C,C11H19N3O,,209.152812228,PAZIRMDVWSSYNT,Terpenoids,Monoterpenoids,,Anthemis aciphylla,386207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Anthemis'],['Anthemis aciphylla'],4,0,5.189934968948364 19776,848,-1,,,,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1sodium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 19777,847,-1,,,,0.0,MS1_match,DGZFYYWNLNMHDT-HMYRSMHJSA-N,"InChI=1S/C29H48O3/c1-18(2)19(3)8-15-29(7,32)22-11-14-28(6)25(22)23(31)17-24-26(4)12-10-21(30)16-20(26)9-13-27(24,28)5/h18,20,22-25,31-32H,3,8-17H2,1-2,4-7H3/t20-,22-,23+,24+,25-,26-,27+,28+,29-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C[C@@H]3CC[C@]12C)C(C)C,C29H48O3,pos_2_1calcium,444.360345396,DGZFYYWNLNMHDT,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],7,0,7.0 19778,844,-1,,,,0.0,MS1_match,QFTPTUOKFIIFJH-AATRIKPKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,pos_2_1calcium,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 19779,844,-1,,,,0.0,MS1_match,QFTPTUOKFIIFJH-AATRIKPKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,pos_2_1calcium,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,0,6.0 19780,843,1761,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.5786235,ISDB,GGFAHFSRIITJIJ-NONSRLQASA-N,"InChI=1S/C11H16O4/c1-6-3-4-7-8(10(12)14-2)5-15-11(13)9(6)7/h5-7,9,11,13H,3-4H2,1-2H3/t6-,7+,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC[C@@H]2C,C11H16O4,,212.104858992,GGFAHFSRIITJIJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lonicera japonica,2125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Lonicera'],['Lonicera japonica'],3,3,6.814493894577026 19781,843,1761,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.5786235,ISDB,GGFAHFSRIITJIJ-NONSRLQASA-N,"InChI=1S/C11H16O4/c1-6-3-4-7-8(10(12)14-2)5-15-11(13)9(6)7/h5-7,9,11,13H,3-4H2,1-2H3/t6-,7+,9+,11+/m0/s1",COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC[C@@H]2C,C11H16O4,,212.104858992,GGFAHFSRIITJIJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Hydrangea macrophylla,162001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Hydrangeaceae'],['Hydrangeeae'],['Hydrangea'],['Hydrangea macrophylla'],3,3,6.814493894577026 19782,841,1114,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Phenylethanoids,0.0,MS1_match,FOBUQPQHFXWKIB-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c1-19-7-8-4-2-3-5-9(8)20-14-13(18)12(17)11(16)10(6-15)21-14/h2-5,10-18H,6-7H2,1H3/t10-,11-,12+,13-,14-/m1/s1",COCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O7,pos_1_1proton1ammonium,300.12090298,FOBUQPQHFXWKIB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Alangium platanifolium,414781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,2,7.0 19783,841,1114,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Phenylethanoids,0.0,MS1_match,FOBUQPQHFXWKIB-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c1-19-7-8-4-2-3-5-9(8)20-14-13(18)12(17)11(16)10(6-15)21-14/h2-5,10-18H,6-7H2,1H3/t10-,11-,12+,13-,14-/m1/s1",COCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20O7,pos_1_1proton1ammonium,300.12090298,FOBUQPQHFXWKIB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Alangium platanifolium var. trilobum,7593708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium platanifolium'],6,2,7.0 19784,840,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RRYYNIJTMYUJDC-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5(14)11-6(2-3-18-11)19-12-10(17)9(16)8(15)7(4-13)20-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",CC(=O)c1occc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,pos_1_1proton,288.084517472,RRYYNIJTMYUJDC,,,,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,0,8.0 19785,837,-1,,,,0.0,MS1_match,BPRJTLAULHNDLP-HZMVEIRTSA-N,"InChI=1S/C17H25ClO3/c1-2-3-4-5-8-11-16-17(21-16)12-9-6-7-10-14(19)15(20)13-18/h14-17,19-20H,2-5,8,11-13H2,1H3/t14-,15+,16+,17-/m0/s1",CCCCCCC[C@H]1O[C@H]1CC#CC#C[C@H](O)[C@H](O)CCl,C17H25ClO3,pos_3_3sodium,312.14922234,BPRJTLAULHNDLP,Fatty acids,Fatty acyls,Fatty alcohols,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 19786,836,-1,,,,0.81853414,ISDB,OXNYNKGAOAFFBD-AHZIVMAWSA-N,"InChI=1S/C17H24O12/c1-7-13(8(19)2-3-25-7)29-15-12(22)11(21)10(20)9(28-15)4-26-16-14(23)17(24,5-18)6-27-16/h2-3,9-12,14-16,18,20-24H,4-6H2,1H3/t9-,10-,11+,12-,14+,15+,16-,17-/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C17H24O12,,420.1267762079998,OXNYNKGAOAFFBD,Polyketides,,,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],4,0,7.274136543273926 19787,835,-1,,,,0.0,MS1_match,KTHADMDGDNYQRX-UHFFFAOYSA-N,"InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",COC(=O)Cc1c[nH]c2ccccc12,C11H11NO2,pos_1_1proton1isopropanol,189.078978592,KTHADMDGDNYQRX,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19788,831,-1,,,,0.0,MS1_match,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_2MNa,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 19789,831,-1,,,,0.0,MS1_match,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_2MNa,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 19790,831,-1,,,,0.0,MS1_match,UTHVFIKQCUKKQW-CGAAFMNDSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3+/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1\C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_2MNa,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,6.0 19791,830,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,0,9.0 19792,830,-1,,,,0.0,MS1_match,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,pos_1_1sodium1acetonitrile,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],9,0,9.0 19793,829,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1proton1ammonium,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 19794,829,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1proton1ammonium,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 19795,829,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UTHVFIKQCUKKQW-CGAAFMNDSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3+/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1\C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1proton1ammonium,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,6.0 19796,828,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5097315,ISDB,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,8.038925886154175 19797,828,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5097315,ISDB,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,8.038925886154175 19798,828,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5097315,ISDB,UTHVFIKQCUKKQW-CGAAFMNDSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3+/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1\C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,8.038925886154175 19799,827,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1proton1ethylamine,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 19800,827,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1proton1ethylamine,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 19801,827,391,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UTHVFIKQCUKKQW-CGAAFMNDSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3+/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1\C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1proton1ethylamine,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,6.0 19802,824,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.20319273,ISDB,RBFUQMMJTXKBOG-YTSXHMEESA-N,"InChI=1S/C45H38O20/c46-16-8-21(50)31-30(9-16)63-42(13-1-2-18(47)20(49)3-13)39(61)35(31)33-23(52)12-24(53)34-36(40(62)43(65-45(33)34)15-6-27(56)38(60)28(57)7-15)32-22(51)11-19(48)17-10-29(58)41(64-44(17)32)14-4-25(54)37(59)26(55)5-14/h1-9,11-12,29,35-36,39-43,46-62H,10H2/t29-,35-,36+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C45H38O20,,898.195643616,RBFUQMMJTXKBOG,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],4,3,6.312770903110504 19803,823,-1,,,,0.0,MS1_match,OUDFNZMQXZILJD-UHFFFAOYSA-N,"InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",Cc1ccc(C=O)o1,C6H6O2,pos_1_1proton1acetonitrile,110.036779432,OUDFNZMQXZILJD,Polyketides,Cyclic polyketides,Furans,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 19804,823,-1,,,,0.0,MS1_match,MAGPZHKLEZXLNU-SSDOTTSWSA-N,"InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)/t7-/m1/s1",NC(=O)[C@H](O)c1ccccc1,C8H9NO2,pos_1_1proton,151.063328528,MAGPZHKLEZXLNU,,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 19805,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,10.959052681922913 19806,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,10.959052681922913 19807,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus lycioides,3902793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus lycioides'],8,3,10.959052681922913 19808,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus triloba,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,10.959052681922913 19809,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus ulmifolia,1004891.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus triloba'],8,3,10.959052681922913 19810,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus prostrata,307264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus prostrata'],8,3,10.959052681922913 19811,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus itosakura,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,10.959052681922913 19812,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus spachiana,953615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus subhirtella'],8,3,10.959052681922913 19813,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,3,10.959052681922913 19814,822,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.36476317,ISDB,PADQINQHPQKXNL-LSDHHAIUSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,10.959052681922913 19815,821,-1,,,,0.0,MS1_match,BLAKLJDVFMLDKM-OBQZRBNSSA-N,"InChI=1S/C15H18O8/c16-8-4-1-7(2-5-8)3-6-9(17)23-15-13(21)11(19)10(18)12(20)14(15)22/h1-6,10-16,18-22H/b6-3+/t10-,11-,12+,13+,14-,15+",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,BLAKLJDVFMLDKM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 19816,819,-1,,,,0.0,MS1_match,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1sodium,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 19817,819,-1,,,,0.0,MS1_match,UTHVFIKQCUKKQW-RCXKYWNRSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3-/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1sodium,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Cowania mexicana,3902519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia mexicana'],6,0,6.0 19818,819,-1,,,,0.0,MS1_match,UTHVFIKQCUKKQW-CGAAFMNDSA-N,"InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/b7-3+/t8-,9+,10-,11-,12+,13-,14-/m1/s1",N#C/C=C1\C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO7,pos_1_1sodium,313.116151948,UTHVFIKQCUKKQW,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Purshia tridentata,156916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Purshia'],['Purshia tridentata'],6,0,6.0 19819,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1sodium1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,0,6.0 19820,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1sodium1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],6,0,6.0 19821,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-SVNGYHJRSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m0/s1",OC[C@@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O,C12H16O7,pos_1_1sodium1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Sorbaria sorbifolia,873712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Sorbaria'],['Sorbaria sorbifolia'],6,0,6.0 19822,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1sodium1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],6,0,6.0 19823,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1sodium1acetonitrile,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 19824,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1sodium1acetonitrile,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],6,0,6.0 19825,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1sodium1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],6,0,6.0 19826,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1sodium1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Cotoneaster simonsii,3903153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cotoneaster'],['Cotoneaster simonsii'],6,0,6.0 19827,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-SVNGYHJRSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m0/s1",OC[C@@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O,C12H16O7,pos_1_1sodium1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Sorbaria sorbifolia,873712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Sorbaria'],['Sorbaria sorbifolia'],6,0,6.0 19828,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1sodium1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus bourgaeana,377831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus mamorensis'],6,0,6.0 19829,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1sodium1acetonitrile,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],6,0,6.0 19830,819,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1sodium1acetonitrile,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],6,0,6.0 19831,817,-1,,,,0.0,MS1_match,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,pos_1_1proton1ammonium,120.093900384,ODLMAHJVESYWTB,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19832,816,-1,,,,0.0,MS1_match,NNICRUQPODTGRU-UHFFFAOYSA-N,"InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H",N#CC(O)c1ccccc1,C8H7NO,pos_1_1proton,133.052763844,NNICRUQPODTGRU,,,,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],9,0,9.0 19833,815,-1,,,,0.79058224,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,11.162328958511353 19834,813,3434,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6612393,ISDB,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinus,771683.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Unknown'],6,3,10.144957304000854 19835,813,3434,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.6612393,ISDB,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,3,10.144957304000854 19836,806,-1,,,,0.0,MS1_match,LSHBVEKPESRSHY-UXXRCYHCSA-N,"InChI=1S/C15H20O9/c1-22-10-4-7(2-3-8(10)17)9(18)6-23-15-14(21)13(20)12(19)11(5-16)24-15/h2-4,11-17,19-21H,5-6H2,1H3/t11-,12-,13+,14-,15-/m1/s1",COc1cc(C(=O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C15H20O9,pos_1_1sodium,344.1107322199999,LSHBVEKPESRSHY,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 19837,805,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21209691,ISDB,NVTLDVSBUJGIAD-QHBXHTPSSA-N,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34-,35+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C45H38O21,,914.1905582360004,NVTLDVSBUJGIAD,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],4,3,6.348387658596039 19838,805,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.21209691,ISDB,NVTLDVSBUJGIAD-YXPYEDIHSA-N,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34+,35-,39+,40+,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C45H38O21,,914.190558236,NVTLDVSBUJGIAD,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],4,3,6.348387658596039 19839,801,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IYMHVUYNBVWXKH-HUMDKZJCSA-N,"InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34+/m1/s1",O=C1OC[C@H]2O[C@H](O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,IYMHVUYNBVWXKH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19840,801,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,IYMHVUYNBVWXKH-HUMDKZJCSA-N,"InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34+/m1/s1",O=C1OC[C@H]2O[C@H](O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,IYMHVUYNBVWXKH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19841,801,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19842,801,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19843,801,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,3,9.5 19844,800,-1,,,,0.0,MS1_match,LSHBVEKPESRSHY-UXXRCYHCSA-N,"InChI=1S/C15H20O9/c1-22-10-4-7(2-3-8(10)17)9(18)6-23-15-14(21)13(20)12(19)11(5-16)24-15/h2-4,11-17,19-21H,5-6H2,1H3/t11-,12-,13+,14-,15-/m1/s1",COc1cc(C(=O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C15H20O9,pos_1_1proton1ethylamine,344.1107322199999,LSHBVEKPESRSHY,Shikimates and Phenylpropanoids,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 19845,799,-1,,,,0.0,MS1_match,VOVIXJKPXLCBEJ-WVYCKJFQSA-N,"InChI=1S/C27H32N2O6/c1-15-8-4-5-9-16(2)25(17(3)24(32)19-11-7-13-28-19)35-27-23-18(10-6-12-20(23)30)26(33)29(27)22(31)14-21(15)34-27/h6-7,10-13,15-17,21,25,28,30H,4-5,8-9,14H2,1-3H3/t15-,16+,17-,21+,25+,27-/m0/s1",C[C@@H]1CCCC[C@H](C)[C@H]2CC(=O)N3C(=O)c4cccc(O)c4[C@@]3(O[C@H]1[C@@H](C)C(=O)c1ccc[nH]1)O2,C27H32N2O6,pos_3_3sodium,480.226036744,VOVIXJKPXLCBEJ,,,,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 19846,798,-1,,,,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_2_1magnesium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19847,796,-1,,,,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_1_minus1proton1magnesium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 19848,795,-1,,,,0.0,MS1_match,DVJHWTLBEYCZJZ-VGMNWLOBSA-N,"InChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1",C[C@H](O)C[C@@H]1CCC[C@@H](C)N1,C9H19NO,pos_1_1proton,157.146664228,DVJHWTLBEYCZJZ,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 19849,794,-1,,,,0.0,MS1_match,REHZVRNVHQFBAF-YYMOATHLSA-N,"InChI=1S/C16H24O9/c1-23-11-4-8(2-3-10(11)19)9(5-17)7-24-16-15(22)14(21)13(20)12(6-18)25-16/h2-4,9,12-22H,5-7H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1",COc1cc([C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H24O9,pos_1_1proton1ethylamine,360.142032348,REHZVRNVHQFBAF,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 19850,794,-1,,,,0.0,MS1_match,REHZVRNVHQFBAF-YYMOATHLSA-N,"InChI=1S/C16H24O9/c1-23-11-4-8(2-3-10(11)19)9(5-17)7-24-16-15(22)14(21)13(20)12(6-18)25-16/h2-4,9,12-22H,5-7H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1",COc1cc([C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H24O9,pos_1_1proton1ethylamine,360.142032348,REHZVRNVHQFBAF,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,0,7.0 19851,793,-1,,,,0.0,MS1_match,XEXMYXBGTYEPEE-CQSZACIVSA-N,"InChI=1S/C20H20O3/c1-3-14(15-7-5-4-6-8-15)13-18(21)16-9-10-19-17(11-12-23-19)20(16)22-2/h4-12,14H,3,13H2,1-2H3/t14-/m1/s1",CC[C@H](CC(=O)c1ccc2occc2c1OC)c1ccccc1,C20H20O3,pos_1_minus1proton1iron,308.1412445,XEXMYXBGTYEPEE,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia pulchra,273760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia pulchra'],6,0,6.0 19852,793,-1,,,,0.0,MS1_match,DGUGLZYULGVSIZ-DHZHZOJOSA-N,"InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+",CC(C)=CCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1,C20H20O3,pos_1_minus1proton1iron,308.1412445,DGUGLZYULGVSIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia erythrocalyx,5147402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia erythrocalyx'],6,0,6.0 19853,793,-1,,,,0.0,MS1_match,DGUGLZYULGVSIZ-DHZHZOJOSA-N,"InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+",CC(C)=CCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1,C20H20O3,pos_1_minus1proton1iron,308.1412445,DGUGLZYULGVSIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Derris floribunda,1064460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris trifoliata'],6,0,6.0 19854,793,-1,,,,0.0,MS1_match,DGUGLZYULGVSIZ-DHZHZOJOSA-N,"InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+",CC(C)=CCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1,C20H20O3,pos_1_minus1proton1iron,308.1412445,DGUGLZYULGVSIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Derris trifoliata,1064460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris trifoliata'],6,0,6.0 19855,793,-1,,,,0.0,MS1_match,ZBNBGEUTJNZRKT-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-13(2)8-9-15-17(21)11-10-16-18(22)12-19(23-20(15)16)14-6-4-3-5-7-14/h3-8,10-11,19,21H,9,12H2,1-2H3",CC(C)=CCc1c(O)ccc2c1OC(c1ccccc1)CC2=O,C20H20O3,pos_1_minus1proton1iron,308.1412445,ZBNBGEUTJNZRKT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tephrosia falciformis,3920318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia falciformis'],6,0,6.0 19856,793,-1,,,,0.0,MS1_match,ZBNBGEUTJNZRKT-IBGZPJMESA-N,"InChI=1S/C20H20O3/c1-13(2)8-9-15-17(21)11-10-16-18(22)12-19(23-20(15)16)14-6-4-3-5-7-14/h3-8,10-11,19,21H,9,12H2,1-2H3/t19-/m0/s1",CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccccc1)CC2=O,C20H20O3,pos_1_minus1proton1iron,308.1412445,ZBNBGEUTJNZRKT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Glycyrrhiza pallidiflora,629594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza pallidiflora'],6,0,6.0 19857,793,-1,,,,0.0,MS1_match,ZBNBGEUTJNZRKT-IBGZPJMESA-N,"InChI=1S/C20H20O3/c1-13(2)8-9-15-17(21)11-10-16-18(22)12-19(23-20(15)16)14-6-4-3-5-7-14/h3-8,10-11,19,21H,9,12H2,1-2H3/t19-/m0/s1",CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccccc1)CC2=O,C20H20O3,pos_1_minus1proton1iron,308.1412445,ZBNBGEUTJNZRKT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],6,0,6.0 19858,793,-1,,,,0.0,MS1_match,DGUGLZYULGVSIZ-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3",CC(C)=CCOc1ccc(C(=O)C=Cc2ccccc2)c(O)c1,C20H20O3,pos_1_minus1proton1iron,308.1412445,DGUGLZYULGVSIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lonchocarpus sericeus,1055829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus sericeus'],6,0,6.0 19859,793,-1,,,,0.0,MS1_match,AISOGEAVKZHKCU-SGQUHAKNSA-N,"InChI=1S/C20H20O3/c1-13(2)8-9-15-17(21)11-10-16-18(22)12-19(23-20(15)16)14-6-4-3-5-7-14/h3-11,13,19,21H,12H2,1-2H3/b9-8+/t19-/m0/s1",CC(C)/C=C/c1c(O)ccc2c1O[C@H](c1ccccc1)CC2=O,C20H20O3,pos_1_minus1proton1iron,308.1412445,AISOGEAVKZHKCU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tephrosia falciformis,3920318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia falciformis'],6,0,6.0 19860,793,-1,,,,0.0,MS1_match,CHWWSUSAPRACBZ-FMIVXFBMSA-N,"InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3/b12-9+",CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1O,C20H20O3,pos_1_minus1proton1iron,308.1412445,CHWWSUSAPRACBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Tephrosia spinosa,3920189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia spinosa'],6,0,6.0 19861,793,-1,,,,0.0,MS1_match,CHWWSUSAPRACBZ-FMIVXFBMSA-N,"InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3/b12-9+",CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1O,C20H20O3,pos_1_minus1proton1iron,308.1412445,CHWWSUSAPRACBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],6,0,6.0 19862,793,-1,,,,0.0,MS1_match,CHWWSUSAPRACBZ-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3",CC(C)=CCc1c(O)ccc(C(=O)C=Cc2ccccc2)c1O,C20H20O3,pos_1_minus1proton1iron,308.1412445,CHWWSUSAPRACBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lonchocarpus guatemalensis,379585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus guatemalensis'],6,0,6.0 19863,793,-1,,,,0.0,MS1_match,CHWWSUSAPRACBZ-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3",CC(C)=CCc1c(O)ccc(C(=O)C=Cc2ccccc2)c1O,C20H20O3,pos_1_minus1proton1iron,308.1412445,CHWWSUSAPRACBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Derris floribunda,1064460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris trifoliata'],6,0,6.0 19864,793,-1,,,,0.0,MS1_match,CHWWSUSAPRACBZ-UHFFFAOYSA-N,"InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3",CC(C)=CCc1c(O)ccc(C(=O)C=Cc2ccccc2)c1O,C20H20O3,pos_1_minus1proton1iron,308.1412445,CHWWSUSAPRACBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Derris trifoliata,1064460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris trifoliata'],6,0,6.0 19865,793,-1,,,,0.0,MS1_match,GIXIYAFVCREOAY-LJQANCHMSA-N,"InChI=1S/C20H20O3/c1-14(2)10-11-22-16-8-9-17-18(21)13-19(23-20(17)12-16)15-6-4-3-5-7-15/h3-10,12,19H,11,13H2,1-2H3/t19-/m1/s1",CC(C)=CCOc1ccc2c(c1)O[C@@H](c1ccccc1)CC2=O,C20H20O3,pos_1_minus1proton1iron,308.1412445,GIXIYAFVCREOAY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Lonchocarpus sericeus,1055829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus sericeus'],6,0,6.0 19866,793,-1,,,,0.0,MS1_match,CHWWSUSAPRACBZ-FMIVXFBMSA-N,"InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3/b12-9+",CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1O,C20H20O3,pos_1_minus1proton1iron,308.1412445,CHWWSUSAPRACBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lonchocarpus sericeus,1055829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus sericeus'],6,0,6.0 19867,793,-1,,,,0.0,MS1_match,OQLMXLAENGAHTP-KRWDZBQOSA-N,"InChI=1S/C20H20O3/c1-20(2)12-11-16-18(23-20)10-6-14-5-9-17(22-19(14)16)13-3-7-15(21)8-4-13/h3-4,6-8,10-12,17,21H,5,9H2,1-2H3/t17-/m0/s1",CC1(C)C=Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3)O1,C20H20O3,pos_1_minus1proton1iron,308.1412445,OQLMXLAENGAHTP,Shikimates and Phenylpropanoids,Flavonoids,Flavans,Dendrolobium lanceolatum,488037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Dendrolobium'],['Dendrolobium lanceolatum'],6,0,6.0 19868,792,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton1ethylamine,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19869,792,-1,,,,0.0,MS1_match,SWGKAHCIOQPKFW-JTNORFRNSA-N,"InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O,C13H12O9,pos_1_1proton1ethylamine,312.04813196399994,SWGKAHCIOQPKFW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19870,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-BGNCJLHMSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.079432092,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 19871,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],6,0,6.0 19872,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19873,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-BGNCJLHMSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.079432092,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 19874,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],6,0,6.0 19875,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19876,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-BGNCJLHMSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12+,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.079432092,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 19877,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],6,0,6.0 19878,792,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 19879,792,-1,,,,0.0,MS1_match,XCVOCJFOQNDTNC-ZNDRGHTASA-N,"InChI=1S/C15H16O9/c1-5-11(18)13(20)14(21)15(23-5)24-9-4-22-8-3-6(16)2-7(17)10(8)12(9)19/h2-5,11,13-18,20-21H,1H3/t5-,11-,13+,14+,15-/m0/s1",C[C@@H]1O[C@@H](Oc2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XCVOCJFOQNDTNC,Polyketides,Chromanes,Chromones,Hymenaea martiana,3917064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Detarieae'],['Hymenaea'],['Hymenaea martiana'],6,0,6.0 19880,792,-1,,,,0.0,MS1_match,VZSKLDHXYLNZMO-UHFFFAOYSA-N,"InChI=1S/C22H18O4/c1-14(2)8-10-24-20-12-17-18(23)13-19(15-6-4-3-5-7-15)26-21(17)16-9-11-25-22(16)20/h3-9,11-13H,10H2,1-2H3",CC(C)=CCOc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C22H18O4,pos_2MMg,346.12050905599995,VZSKLDHXYLNZMO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],6,0,6.0 19881,792,-1,,,,0.0,MS1_match,VZSKLDHXYLNZMO-UHFFFAOYSA-N,"InChI=1S/C22H18O4/c1-14(2)8-10-24-20-12-17-18(23)13-19(15-6-4-3-5-7-15)26-21(17)16-9-11-25-22(16)20/h3-9,11-13H,10H2,1-2H3",CC(C)=CCOc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C22H18O4,pos_2MMg,346.12050905599995,VZSKLDHXYLNZMO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Millettia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],6,0,6.0 19882,792,-1,,,,0.0,MS1_match,VZSKLDHXYLNZMO-UHFFFAOYSA-N,"InChI=1S/C22H18O4/c1-14(2)8-10-24-20-12-17-18(23)13-19(15-6-4-3-5-7-15)26-21(17)16-9-11-25-22(16)20/h3-9,11-13H,10H2,1-2H3",CC(C)=CCOc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12,C22H18O4,pos_2MMg,346.12050905599995,VZSKLDHXYLNZMO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Millettia erythrocalyx,5147402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia erythrocalyx'],6,0,6.0 19883,792,-1,,,,0.0,MS1_match,GKSZOVHKODBYMX-ZGSXILORSA-N,"InChI=1S/C31H42O16/c1-41-20-7-14(3-5-18(20)36)25-16(9-32)17(10-33)26(46-25)15-4-6-19(21(8-15)42-2)44-29-27(24(38)23(37)22(11-34)45-29)47-30-28(39)31(40,12-35)13-43-30/h3-8,16-17,22-30,32-40H,9-13H2,1-2H3/t16-,17-,22-,23-,24+,25+,26+,27-,28+,29-,30+,31-/m1/s1",COc1cc([C@@H]2O[C@@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO)[C@H]4O)c(OC)c3)[C@H](CO)[C@H]2CO)ccc1O,C31H42O16,pos_2_2sodium,670.247285264,GKSZOVHKODBYMX,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Astragalus pycnocephalus,1017336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus pycnocephalus'],6,0,6.0 19884,791,-1,,,,0.0,MS1_match,ZEACOKJOQLAYTD-ILXRZTDVSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O,C15H14O8,pos_1_1proton,322.0688674079999,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Alhagi pseudalhagi,809997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi maurorum'],6,0,6.0 19885,791,-1,,,,0.0,MS1_match,ZEACOKJOQLAYTD-ILXRZTDVSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O,C15H14O8,pos_1_1proton,322.0688674079999,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Alhagi maurorum,809997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi maurorum'],6,0,6.0 19886,791,-1,,,,0.0,MS1_match,ZEACOKJOQLAYTD-ILXRZTDVSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O,C15H14O8,pos_1_1proton,322.0688674079999,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Alhagi pseudalhagi,809997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi maurorum'],6,0,6.0 19887,791,-1,,,,0.0,MS1_match,ZEACOKJOQLAYTD-ILXRZTDVSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O,C15H14O8,pos_1_1proton,322.0688674079999,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Alhagi maurorum,809997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi maurorum'],6,0,6.0 19888,791,-1,,,,0.0,MS1_match,PONGJRZSHJPTOF-YMTOWFKASA-N,"InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14-/m1/s1",Oc1ccc([C@H]2Oc3c(O)c(O)c(O)c(O)c3C[C@H]2O)cc1O,C15H14O8,pos_1_1proton,322.068867408,PONGJRZSHJPTOF,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Wisteria floribunda,489469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Wisteria'],['Wisteria floribunda'],6,0,6.0 19889,791,-1,,,,0.0,MS1_match,PONGJRZSHJPTOF-OTYXRUKQSA-N,"InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14+/m1/s1",Oc1ccc([C@@H]2Oc3c(O)c(O)c(O)c(O)c3C[C@H]2O)cc1O,C15H14O8,pos_1_1proton,322.068867408,PONGJRZSHJPTOF,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Elephantorrhiza goetzei,1076015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Elephantorrhiza'],['Elephantorrhiza goetzei'],6,0,6.0 19890,788,-1,,,,0.0,MS1_match,XUDZYVQTZDTQGU-PDEJURLFSA-N,"InChI=1S/C21H24O6/c1-24-18-5-3-14(9-20(18)25-2)7-16(11-22)17(12-23)8-15-4-6-19-21(10-15)27-13-26-19/h3-6,8-10,16,22-23H,7,11-13H2,1-2H3/b17-8-/t16-/m0/s1",COc1ccc(C[C@@H](CO)/C(=C\c2ccc3c(c2)OCO3)CO)cc1OC,C21H24O6,pos_1_1proton1dmso,372.157288488,XUDZYVQTZDTQGU,Shikimates and Phenylpropanoids,Lignans,Neolignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 19891,784,1679,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7607445,ISDB,MDRWFICNTMXXQK-UHFFFAOYSA-N,"InChI=1S/C11H15NO2/c1-13-10-4-3-8-5-6-12-7-9(8)11(10)14-2/h3-4,12H,5-7H2,1-2H3",COc1ccc2c(c1OC)CNCC2,C11H15NO2,,193.11027872,MDRWFICNTMXXQK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pachycereus militaris,250202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Pachycereus'],['Pachycereus militaris'],4,3,8.542978048324585 19892,784,1679,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7607445,ISDB,MDRWFICNTMXXQK-UHFFFAOYSA-N,"InChI=1S/C11H15NO2/c1-13-10-4-3-8-5-6-12-7-9(8)11(10)14-2/h3-4,12H,5-7H2,1-2H3",COc1ccc2c(c1OC)CNCC2,C11H15NO2,,193.11027872,MDRWFICNTMXXQK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pachycereus weberi,145729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Pachycereus'],['Pachycereus weberi'],4,3,8.542978048324585 19893,781,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,REHZVRNVHQFBAF-YYMOATHLSA-N,"InChI=1S/C16H24O9/c1-23-11-4-8(2-3-10(11)19)9(5-17)7-24-16-15(22)14(21)13(20)12(6-18)25-16/h2-4,9,12-22H,5-7H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1",COc1cc([C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H24O9,pos_1_1proton1ammonium,360.142032348,REHZVRNVHQFBAF,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Juniperus communis var. depressa,517893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,1,7.5 19894,781,303,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.0,MS1_match,REHZVRNVHQFBAF-YYMOATHLSA-N,"InChI=1S/C16H24O9/c1-23-11-4-8(2-3-10(11)19)9(5-17)7-24-16-15(22)14(21)13(20)12(6-18)25-16/h2-4,9,12-22H,5-7H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1",COc1cc([C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H24O9,pos_1_1proton1ammonium,360.142032348,REHZVRNVHQFBAF,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Juniperus communis,582859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus communis'],7,1,7.5 19895,779,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.34235218,ISDB,HGVVOUNEGQIPMS-UHFFFAOYSA-N,"InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O13,,594.137340892,HGVVOUNEGQIPMS,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,2,9.3694087266922 19896,776,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27421162,ISDB,MOJZMWJRUKIQGL-POEQRLLMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],5,3,7.5968464612960815 19897,776,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27421162,ISDB,MOJZMWJRUKIQGL-FWCKPOPSSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38+,39+,40+,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],5,3,7.5968464612960815 19898,776,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27421162,ISDB,MOJZMWJRUKIQGL-POEQRLLMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,C45H38O18,,866.2058143760003,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],5,3,7.5968464612960815 19899,776,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.27421162,ISDB,MOJZMWJRUKIQGL-XILRTYJMSA-N,"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C45H38O18,,866.205814376,MOJZMWJRUKIQGL,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Thujopsis dolabrata,665925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Thujopsis'],['Thujopsis dolabrata'],5,3,7.5968464612960815 19900,772,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,3,7.5 19901,772,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-QHCUMBMQSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 19902,772,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,LYJUZZNOXNVGPX-JCCHURMHSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)25(43-32-31(41)30(40)26(19-37)44-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26-,27+,29-,30-,31+,32+,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,LYJUZZNOXNVGPX,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 19903,772,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus serrulatoides,177840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus serrulatoides'],6,3,7.5 19904,772,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-WJIZNOSESA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29+,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus pendula,639092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus pendula'],6,3,7.5 19905,772,733,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,0.0,MS1_match,UQAZIPIFDVMYDE-KDHKCOGYSA-N,"InChI=1S/C36H60O8/c1-20(2)22(5)10-17-36(9,42)24-12-16-35(8)29(24)26(44-32-31(41)30(40)25(37)19-43-32)18-27-33(6,14-13-28(38)39)23(21(3)4)11-15-34(27,35)7/h20,23-27,29-32,37,40-42H,3,5,10-19H2,1-2,4,6-9H3,(H,38,39)/t23-,24-,25+,26+,27+,29-,30-,31+,32-,33-,34+,35+,36-/m0/s1",C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C,C36H60O8,pos_2_1proton1sodium,620.42881888,UQAZIPIFDVMYDE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],6,3,7.5 19906,767,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 19907,767,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 19908,767,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 19909,767,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus cerasus,900499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus cerasus'],8,0,8.0 19910,767,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus insititia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 19911,767,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus angustifolia,66998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus angustifolia'],8,0,8.0 19912,767,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 19913,767,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton2acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus japonica,478349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus japonica'],8,0,8.0 19914,763,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WXTPOHDTGNYFSB-RMPHRYRLSA-N,"InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O8,pos_1_1proton,288.084517472,WXTPOHDTGNYFSB,Polyketides,Phloroglucinols,Acyl phloroglucinols,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,0,7.0 19915,760,-1,,,,0.0,MS1_match,MTLJGULDLAKMRZ-JRQSSSKMSA-N,"InChI=1S/C21H22O5/c1-4-7-21(23-3)11-15-13(2)17(26-18(15)10-20(21)22)8-14-5-6-16-19(9-14)25-12-24-16/h4-6,9-11,13,17H,1,7-8,12H2,2-3H3/t13-,17+,21+/m1/s1",C=CC[C@]1(OC)C=C2C(=CC1=O)O[C@@H](Cc1ccc3c(c1)OCO3)[C@@H]2C,C21H22O5,pos_1_1proton1dmso,354.146723804,MTLJGULDLAKMRZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba,297724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Unknown'],6,0,6.0 19916,760,-1,,,,0.0,MS1_match,NCVHFCDNGBVWBR-IBNJYYFUSA-N,"InChI=1S/C21H22O5/c1-4-7-21-11-19(23-3)15(22)10-20(21)26-17(13(21)2)8-14-5-6-16-18(9-14)25-12-24-16/h4-6,9-11,13,17H,1,7-8,12H2,2-3H3/t13-,17-,21+/m0/s1",C=CC[C@]12C=C(OC)C(=O)C=C1O[C@@H](Cc1ccc3c(c1)OCO3)[C@@H]2C,C21H22O5,pos_1_1proton1dmso,354.146723804,NCVHFCDNGBVWBR,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba,297724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Unknown'],6,0,6.0 19917,759,-1,,,,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,0,8.0 19918,758,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37017092,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],5,3,7.98068368434906 19919,758,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37017092,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus robur,239659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus robur'],5,3,7.98068368434906 19920,758,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37017092,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Platycarya strobilacea,264610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Platycarya'],['Platycarya strobilacea'],5,3,7.98068368434906 19921,758,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.37017092,ISDB,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Castanea,452591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Unknown'],5,3,7.98068368434906 19922,757,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,3,9.5 19923,754,-1,,,,0.0,MS1_match,JRFQBNCUNXLLQL-SLFNRPLXSA-N,"InChI=1S/C22H24O7/c1-6-7-13-10-21(26-4)12(2)17(22(27-5,19(13)23)20(21)24)14-8-15(25-3)18-16(9-14)28-11-29-18/h6,8-10,12,17H,1,7,11H2,2-5H3/t12-,17+,21-,22+/m1/s1",C=CCC1=C[C@]2(OC)C(=O)[C@@](OC)(C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C,C22H24O7,pos_1_1proton1dmso,400.152203108,JRFQBNCUNXLLQL,Terpenoids,Monoterpenoids,Irregular monoterpenoids,Pleurothyrium cinereum,360220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Pleurothyrium'],['Pleurothyrium cinereum'],6,0,6.0 19924,754,-1,,,,0.0,MS1_match,YKCQRENZSQIALG-BKEYBNDJSA-N,"InChI=1S/C22H24O7/c1-14(28-19-8-6-16(5-4-10-23)11-20(19)25-3)22(29-15(2)24)17-7-9-18-21(12-17)27-13-26-18/h4-9,11-12,14,22-23H,10,13H2,1-3H3/b5-4+/t14-,22+/m1/s1",COc1cc(/C=C/CO)ccc1O[C@H](C)[C@H](OC(C)=O)c1ccc2c(c1)OCO2,C22H24O7,pos_1_1proton1dmso,400.152203108,YKCQRENZSQIALG,Shikimates and Phenylpropanoids,Lignans,Neolignans,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,0,6.0 19925,754,-1,,,,0.0,MS1_match,OAOGZAWORNOYEF-UHFFFAOYSA-N,"InChI=1S/C22H24O7/c1-6-7-22-10-16(25-4)18(23)20(26-5)21(22)29-12(2)17(22)13-8-14(24-3)19-15(9-13)27-11-28-19/h6,8-10,12,17H,1,7,11H2,2-5H3",C=CCC12C=C(OC)C(=O)C(OC)=C1OC(C)C2c1cc(OC)c2c(c1)OCO2,C22H24O7,pos_1_1proton1dmso,400.152203108,OAOGZAWORNOYEF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Licaria chrysophylla,527089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria chrysophylla'],6,0,6.0 19926,754,-1,,,,0.0,MS1_match,NJFHXYMWTMIKKJ-KPZWWZAWSA-N,"InChI=1S/C22H24O7/c1-6-7-26-21-16(24-4)10-14-18(12(2)29-19(14)22(21)25-5)13-8-15(23-3)20-17(9-13)27-11-28-20/h6,8-10,12,18H,1,7,11H2,2-5H3/t12-,18+/m0/s1",C=CCOc1c(OC)cc2c(c1OC)O[C@@H](C)[C@@H]2c1cc(OC)c2c(c1)OCO2,C22H24O7,pos_1_1proton1dmso,400.152203108,NJFHXYMWTMIKKJ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Licaria chrysophylla,527089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria chrysophylla'],6,0,6.0 19927,754,-1,,,,0.0,MS1_match,QKLCVHOHVAXBNF-TWAZELFTSA-N,"InChI=1S/C22H24O7/c1-5-8-21-10-17(26-4)19(24)22(25,20(21)29-13(3)23)18(12(21)2)14-6-7-15-16(9-14)28-11-27-15/h5-7,9-10,12,18,20,25H,1,8,11H2,2-4H3/t12-,18+,20-,21-,22+/m1/s1",C=CC[C@@]12C=C(OC)C(=O)[C@@](O)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2OC(C)=O,C22H24O7,pos_1_1proton1dmso,400.152203108,QKLCVHOHVAXBNF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Licaria armeniaca,6026396.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Licaria'],['Licaria armeniaca'],6,0,6.0 19928,754,-1,,,,0.0,MS1_match,MJVCVFLQZLVCHG-PNLZDCPESA-N,"InChI=1S/C22H24O7/c1-13(23)26-11-17-16(7-14-3-5-18(24)20(8-14)25-2)10-27-22(17)15-4-6-19-21(9-15)29-12-28-19/h3-6,8-9,16-17,22,24H,7,10-12H2,1-2H3/t16-,17-,22+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2COC(C)=O)ccc1O,C22H24O7,pos_1_1proton1dmso,400.152203108,MJVCVFLQZLVCHG,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Actinodaphne longifolia,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,0,6.0 19929,754,-1,,,,0.0,MS1_match,MJVCVFLQZLVCHG-PNLZDCPESA-N,"InChI=1S/C22H24O7/c1-13(23)26-11-17-16(7-14-3-5-18(24)20(8-14)25-2)10-27-22(17)15-4-6-19-21(9-15)29-12-28-19/h3-6,8-9,16-17,22,24H,7,10-12H2,1-2H3/t16-,17-,22+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2COC(C)=O)ccc1O,C22H24O7,pos_1_1proton1dmso,400.152203108,MJVCVFLQZLVCHG,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Actinodaphne acuminata,5699245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne acuminata'],6,0,6.0 19930,754,-1,,,,0.0,MS1_match,ISBKEYQPAWAMRF-IIBDXVJDSA-N,"InChI=1S/C22H24O7/c1-11-12(2)20(14-6-16(24-4)22-18(8-14)26-10-28-22)29-19(11)13-5-15(23-3)21-17(7-13)25-9-27-21/h5-8,11-12,19-20H,9-10H2,1-4H3/t11-,12-,19-,20-/m1/s1",COc1cc([C@@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc2c1OCO2,C22H24O7,pos_1_1proton1dmso,400.1522031079999,ISBKEYQPAWAMRF,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Beilschmiedia tsangii,5699365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia tsangii'],6,0,6.0 19931,754,-1,,,,0.0,MS1_match,ISBKEYQPAWAMRF-IIBDXVJDSA-N,"InChI=1S/C22H24O7/c1-11-12(2)20(14-6-16(24-4)22-18(8-14)26-10-28-22)29-19(11)13-5-15(23-3)21-17(7-13)25-9-27-21/h5-8,11-12,19-20H,9-10H2,1-4H3/t11-,12-,19-,20-/m1/s1",COc1cc([C@@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc2c1OCO2,C22H24O7,pos_1_1proton1dmso,400.1522031079999,ISBKEYQPAWAMRF,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Beilschmiedia tsangii,5699365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia tsangii'],6,0,6.0 19932,754,-1,,,,0.0,MS1_match,AYTYMCIIRBKYNI-SGTLLEGYSA-N,"InChI=1S/C22H24O7/c1-6-7-26-21-16(24-4)10-14-12(2)18(29-19(14)22(21)25-5)13-8-15(23-3)20-17(9-13)27-11-28-20/h6,8-10,12,18H,1,7,11H2,2-5H3/t12-,18-/m0/s1",C=CCOc1c(OC)cc2c(c1OC)O[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C,C22H24O7,pos_1_1proton1dmso,400.152203108,AYTYMCIIRBKYNI,Shikimates and Phenylpropanoids,Lignans,Neolignans,Ocotea catharinensis,251045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea catharinensis'],6,0,6.0 19933,753,610,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.0,MS1_match,BNOJRDCSTNIEHV-BQPQXBNFSA-N,"InChI=1S/C25H34O8/c1-9-33-25(15-10-17(28-4)23(31-7)18(11-15)29-5)14(3)13(2)21(26)16-12-19(30-6)24(32-8)22(27)20(16)25/h10-14,21,26-27H,9H2,1-8H3/t13-,14+,21-,25-/m0/s1",CCO[C@@]1(c2cc(OC)c(OC)c(OC)c2)c2c(cc(OC)c(OC)c2O)[C@@H](O)[C@@H](C)[C@H]1C,C25H34O8,pos_2MMg,462.225368048,BNOJRDCSTNIEHV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Eusideroxylon zwageri,395011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Eusideroxylon'],['Eusideroxylon zwageri'],6,3,7.5 19934,752,610,Shikimates and Phenylpropanoids,Lignans,Neolignans,0.33966202,ISDB,,,,,,,JVDHMDZKNYZZTR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3586480617523193 19935,751,-1,,,,0.0,MS1_match,FHEHIXJLCWUPCZ-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2",C=CCc1ccc(O)c(O)c1,C9H10O2,pos_1_1proton1acetonitrile,150.06807956,FHEHIXJLCWUPCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum tenuifolium,5699220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tenuifolium'],6,0,6.0 19936,751,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-FOIQADDNSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 19937,751,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-YWZLYKJASA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 19938,751,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-YWZLYKJASA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ocotea acutangula,6027126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutangula'],6,0,6.0 19939,751,-1,,,,0.0,MS1_match,SAERKXUSZPTMCQ-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-17(25-4)20(22)19-13-10-16(24-3)15(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,SAERKXUSZPTMCQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea valerioana,6027536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea valeriana'],6,0,6.0 19940,751,-1,,,,0.0,MS1_match,SAERKXUSZPTMCQ-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-17(25-4)20(22)19-13-10-16(24-3)15(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,SAERKXUSZPTMCQ,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea valerioana,6027536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea valeriana'],6,0,6.0 19941,751,-1,,,,0.0,MS1_match,MMPSCNRRQGVBGG-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-14(22)19(24-3)18-16(12)13(21)9-11-5-6-15(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,MMPSCNRRQGVBGG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 19942,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 19943,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 19944,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea calophylla,6026573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea calophylla'],6,0,6.0 19945,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1O)CC1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea,76670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Unknown'],6,0,6.0 19946,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,0,6.0 19947,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,0,6.0 19948,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera angustifolia,6026465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera angustifolia'],6,0,6.0 19949,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,0,6.0 19950,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,6.0 19951,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,0,6.0 19952,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Actinodaphne speciosa,6025247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Actinodaphne'],['Actinodaphne speciosa'],6,0,6.0 19953,751,-1,,,,0.0,MS1_match,ZQCGNPNWSMJDEF-HOTGVXAUSA-N,"InChI=1S/C20H23NO4/c1-21-15-6-12-8-19(24-3)20(25-4)10-14(12)16(21)5-11-7-18(23-2)17(22)9-13(11)15/h7-10,15-16,22H,5-6H2,1-4H3/t15-,16-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)N1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZQCGNPNWSMJDEF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya longifolia,6026008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya longifolia'],6,0,6.0 19954,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19955,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 19956,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 19957,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum insulari-montanum,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,0,6.0 19958,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum yabunikkei,7589244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum yabunikkei'],6,0,6.0 19959,751,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-FOIQADDNSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 19960,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum burmanni,7589168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum burmanni'],6,0,6.0 19961,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,0,6.0 19962,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum sieboldii,130590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum sieboldii'],6,0,6.0 19963,751,-1,,,,0.0,MS1_match,MTZQAGJQAFMTAQ-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",CCOC(=O)c1ccccc1,C9H10O2,pos_1_1proton1acetonitrile,150.06807956,MTZQAGJQAFMTAQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Umbellularia californica,913214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Umbellularia'],['Umbellularia californica'],6,0,6.0 19964,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Alseodaphne perakensis,61206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Alseodaphne'],['Alseodaphne perakensis'],6,0,6.0 19965,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera erythrocarpa,971385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera erythrocarpa'],6,0,6.0 19966,751,-1,,,,0.0,MS1_match,ZFLRVRLYWHNAEC-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZFLRVRLYWHNAEC,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea acutifolia,5699455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutifolia'],6,0,6.0 19967,751,-1,,,,0.0,MS1_match,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,O=c1ccc2ccccc2o1,C9H6O2,pos_1_1proton1ethylamine,146.036779432,ZYGHJZDHTFUPRJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cinnamomum macrostemon,17158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum macrostemon'],6,0,6.0 19968,751,-1,,,,0.0,MS1_match,ZQCGNPNWSMJDEF-HOTGVXAUSA-N,"InChI=1S/C20H23NO4/c1-21-15-6-12-8-19(24-3)20(25-4)10-14(12)16(21)5-11-7-18(23-2)17(22)9-13(11)15/h7-10,15-16,22H,5-6H2,1-4H3/t15-,16-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)N1C,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,ZQCGNPNWSMJDEF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Cryptocarya chinensis,445161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya chinensis'],6,0,6.0 19969,751,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3",COC1=CC23CCN(C)C(Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Litsea glutinosa,9694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glutinosa'],6,0,6.0 19970,751,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 19971,751,-1,,,,0.0,MS1_match,YLRXAIKMLINXQY-ZDUSSCGKSA-O,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3,C20H24NO4+,pos_2_2proton1acetonitrile,342.1699846680899,YLRXAIKMLINXQY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,0,6.0 19972,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 19973,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea brachybotra,416837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea brachybotrya'],6,0,6.0 19974,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea macropoda,5699288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea macropoda'],6,0,6.0 19975,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821600006,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 19976,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821600006,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea acutifolia,5699455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutifolia'],6,0,6.0 19977,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha,218936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Unknown'],6,0,6.0 19978,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha filiformis,218933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Cassytha filiformis'],6,0,6.0 19979,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea brachybotra,416837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea brachybotrya'],6,0,6.0 19980,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea macropoda,5699288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea macropoda'],6,0,6.0 19981,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821600006,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 19982,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-AWEZNQCLSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821600006,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea acutifolia,5699455.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea acutifolia'],6,0,6.0 19983,751,-1,,,,0.0,MS1_match,OUTYMWDDJORZOH-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,OUTYMWDDJORZOH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cassytha,218936.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cassytha'],['Unknown'],6,0,6.0 19984,751,-1,,,,0.0,MS1_match,KJAVJETZYFENNG-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(23-2)20(25-4)18-16(12)13(21)9-11-5-6-14(22)19(24-3)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,KJAVJETZYFENNG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera praecox,5699258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera praecox'],6,0,6.0 19985,751,-1,,,,0.0,MS1_match,MNYYCWDTJBJERS-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-11-8-17(24-3)20(25-4)19-13-10-15(22)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3",COc1cc2c(cc1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,MNYYCWDTJBJERS,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Cryptocarya griffithiana,5699339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya griffithiana'],6,0,6.0 19986,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea ligustrina,6026684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea ligustrina'],6,0,6.0 19987,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,0,6.0 19988,751,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Lindera myrrha,6026499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera myrrha'],6,0,6.0 19989,751,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia hainanensis,374588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia hainanensis'],6,0,6.0 19990,751,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Neolitsea konishii,5699237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea konishii'],6,0,6.0 19991,751,-1,,,,0.0,MS1_match,IDQUPXZJURZAGF-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,IDQUPXZJURZAGF,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 19992,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dehaasia incrassata,635063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Dehaasia'],['Dehaasia incrassata'],6,0,6.0 19993,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe clemensii,6027639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe clemensii'],6,0,6.0 19994,751,-1,,,,0.0,MS1_match,DBPGJIUVRZHFCM-FOIQADDNSA-N,"InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,DBPGJIUVRZHFCM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Neolitsea acuminatissima,6027034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea acuminatissima'],6,0,6.0 19995,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Phoebe forbesii,616591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Phoebe'],['Phoebe forrestii'],6,0,6.0 19996,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea holdridgeiana,6027302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea holdridgeiana'],6,0,6.0 19997,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea brenesii,6027184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea brenesii'],6,0,6.0 19998,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea holdridgeana,7048509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea holdridgeana'],6,0,6.0 19999,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea velloziana,1050964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea velloziana'],6,0,6.0 20000,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Ocotea macrophylla,6027360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea macrophylla'],6,0,6.0 20001,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Damburneya salicifolia,24811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya salicifolia'],6,0,6.0 20002,751,-1,,,,0.0,MS1_match,QELDJEKNFOQJOY-ZDUSSCGKSA-N,"InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1",COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C20H23NO4,pos_2_2proton1acetonitrile,341.162708216,QELDJEKNFOQJOY,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Aiouea tonduzii,6025853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea tonduzii'],6,0,6.0 20003,751,-1,,,,0.0,MS1_match,XEZBZEXZYWKCJZ-FQEVSTJZSA-N,"InChI=1S/C20H23NO4/c1-20-10-12-7-14(22)15(23-2)9-13(12)17-18(20)11(5-6-21-20)8-16(24-3)19(17)25-4/h7-9,21-22H,5-6,10H2,1-4H3/t20-/m0/s1",COc1cc2c(cc1O)C[C@]1(C)NCCc3cc(OC)c(OC)c-2c31,C20H23NO4,pos_2_2proton1acetonitrile,341.16270821599994,XEZBZEXZYWKCJZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Beilschmiedia kunstleri,5699367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia kunstleri'],6,0,6.0 20004,750,-1,,,,0.0,MS1_match,QILSEMOPVAZWLY-DSJRXEMUSA-N,"InChI=1S/C28H46N2O/c1-19(29(5)6)22-13-15-28(4)24-10-9-23-20(16-21(24)12-14-27(22,28)3)8-11-25-26(23,2)17-31-18-30(25)7/h12,16,19,22-25H,8-11,13-15,17-18H2,1-7H3/t19-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C)N(C)C,C28H46N2O,pos_2_1magnesium,426.361014092,QILSEMOPVAZWLY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20005,750,-1,,,,0.0,MS1_match,OJABFNKICCPMPG-APAUBBSSSA-N,"InChI=1S/C28H46N2O/c1-18(29-19(2)31)22-14-16-28(6)24-11-10-23-20(17-21(24)13-15-27(22,28)5)9-12-25(30(7)8)26(23,3)4/h13,17-18,22-25H,9-12,14-16H2,1-8H3,(H,29,31)/t18-,22+,23+,24+,25-,27+,28-/m0/s1",CC(=O)N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C28H46N2O,pos_2_1magnesium,426.361014092,OJABFNKICCPMPG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20006,746,1434,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton1ammonium,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 20007,742,-1,,,,0.4492075,ISDB,QYMDEOQLJUUNOF-UHFFFAOYSA-N,"InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3",COc1ccc2[nH]c3c(c2c1)CCNC3,C12H14N2O,,202.110613068,QYMDEOQLJUUNOF,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Phyllodium pulchellum,964134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Phyllodium'],['Phyllodium pulchellum'],4,0,5.796830058097839 20008,741,-1,,,,0.4127043,ISDB,GZFUNESZCZCIFV-NSCUHMNNSA-N,"InChI=1S/C12H11NO/c1-9(14)2-3-10-4-5-12-11(8-10)6-7-13-12/h2-8,13H,1H3/b3-2+",CC(=O)/C=C/c1ccc2[nH]ccc2c1,C12H11NO,,185.084063972,GZFUNESZCZCIFV,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Monodora myristica,134103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Monodoreae'],['Monodora'],['Monodora myristica'],4,0,5.650817155838013 20009,740,-1,,,,0.5494733,ISDB,DPEYEJOFAHQWJI-UHFFFAOYSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h5-7,13H,3-4H2,1-2H3",COc1cc(CCC=O)cc(OC)c1O,C11H14O4,,210.089208928,DPEYEJOFAHQWJI,Alkaloids,,,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],4,0,6.197893142700195 20010,739,2255,,,,0.25382793,ISDB,TUNPWIUIRCNHPM-WDCWCFNPSA-N,"InChI=1S/C15H21NO5/c1-2-8-5-10-9(3-4-13(10)18)11(6-8)14(19)16-12(7-17)15(20)21/h6,8-10,12,17H,2-5,7H2,1H3,(H,16,19)(H,20,21)/t8-,9+,10+,12+/m1/s1",CC[C@H]1C=C(C(=O)N[C@@H](CO)C(=O)O)[C@H]2CCC(=O)[C@H]2C1,C15H21NO5,,295.141972772,TUNPWIUIRCNHPM,,,,Pseudomonas syringae,413638.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Pseudomonadales'],['Pseudomonadaceae'],['Unknown'],['Pseudomonas'],['Pseudomonas syringae'],0,0,1.0153117179870605 20011,737,-1,,,,0.0,MS1_match,IYMHVUYNBVWXKH-HUMDKZJCSA-N,"InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34+/m1/s1",O=C1OC[C@H]2O[C@H](O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,IYMHVUYNBVWXKH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 20012,737,-1,,,,0.0,MS1_match,IYMHVUYNBVWXKH-HUMDKZJCSA-N,"InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34+/m1/s1",O=C1OC[C@H]2O[C@H](O)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,IYMHVUYNBVWXKH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 20013,737,-1,,,,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 20014,737,-1,,,,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 20015,737,-1,,,,0.0,MS1_match,CHBITXAMNKHJCR-JNUHSSLSSA-N,"InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1",O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]2[C@@H]4O)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O,C34H24O22,pos_1_1proton1ammonium,784.0759224080002,CHBITXAMNKHJCR,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 20016,735,1544,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,0.0,MS1_match,DVJHWTLBEYCZJZ-VGMNWLOBSA-N,"InChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1",C[C@H](O)C[C@@H]1CCC[C@@H](C)N1,C9H19NO,pos_1_1proton,157.146664228,DVJHWTLBEYCZJZ,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 20017,734,-1,,,,0.0,MS1_match,ZKGCXEGVGZLKCO-NJZAAPMLSA-N,"InChI=1S/C15H20O3/c1-9-6-12(18-8-9)7-11(3)13-5-4-10(2)14(16)15(13)17/h4,6,8,11,13,15,17H,5,7H2,1-3H3/t11-,13+,15+/m0/s1",CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)[C@@H](O)C1=O,C15H20O3,pos_2MFe,248.1412445,ZKGCXEGVGZLKCO,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Abies lasiocarpa,85998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies lasiocarpa'],6,0,6.0 20018,734,-1,,,,0.0,MS1_match,ZMVIZCUVIDSYNR-PNQHRLASSA-N,"InChI=1S/C30H40O6/c1-15(10-17-11-16(2)26(35)36-17)18-8-9-28(5)24-19(31)12-21-27(3,4)22(33)13-23(34)30(21,7)25(24)20(32)14-29(18,28)6/h11,15,17-18,21-22,33H,8-10,12-14H2,1-7H3/t15-,17-,18-,21+,22-,28+,29-,30-/m1/s1",CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)C(=O)C[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O,C30H40O6,pos_2_1iron,496.282489,ZMVIZCUVIDSYNR,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Abies mariesii,648453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies mariesii'],6,0,6.0 20019,732,1393,,,,0.0,MS1_match,JQVZYONXFQBJLS-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5-2-3-6(7)4-8-5/h5H,2-4H2,1H3",CC1CCC(=O)CO1,C6H10O2,pos_2MHCH3CN,114.06807956,JQVZYONXFQBJLS,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20020,732,1393,,,,0.0,MS1_match,CZEOXNDFAPPJHG-UHFFFAOYSA-N,"InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-4H2,1-2H3",CC1=C(C)OC(=O)CC1,C7H10O2,pos_2MHNH3,126.06807956,CZEOXNDFAPPJHG,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20021,731,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-UHFFFAOYSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3",CC1=C(C)C2CCC1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20022,731,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-DTORHVGOSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+",CC1=C(C)[C@H]2CC[C@@H]1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20023,731,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_1_1proton,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20024,726,-1,,,,0.0,MS1_match,VAKXLUHTYNZAFY-RBUKOAKNSA-N,"InChI=1S/C19H30O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h18-19,21H,4-11,14H2,1-3H3/t18-,19+/m0/s1",CCCCCCCCC[C@H](O)C#CC#C[C@@H](CC)OC(C)=O,C19H30O3,pos_1_minus1proton1iron,306.21949482,VAKXLUHTYNZAFY,Fatty acids,Fatty acyls,Fatty alcohols,Cussonia zimmermannii,3885832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Cussonia'],['Cussonia zimmermannii'],6,0,6.0 20025,724,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1sodium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,0,7.0 20026,719,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1sodium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 20027,719,-1,,,,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1sodium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 20028,719,-1,,,,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1sodium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,0,7.0 20029,719,-1,,,,0.0,MS1_match,XKVYZLLWKHGKMT-BEJOYRPXSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1",O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@@H]1O,C27H22O18,pos_1_1sodium,634.080613864,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 20030,719,-1,,,,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1sodium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,0,7.0 20031,719,-1,,,,0.0,MS1_match,XKVYZLLWKHGKMT-BEJOYRPXSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1",O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@@H]1O,C27H22O18,pos_1_1sodium,634.080613864,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 20032,717,1883,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6663855,ISDB,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tsuga chinensis,608487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Tsuga'],['Tsuga chinensis'],6,3,10.165541887283325 20033,716,-1,,,,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_2_1magnesium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20034,714,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20035,714,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20036,714,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,3,8.5 20037,714,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-BEJOYRPXSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1",O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@@H]1O,C27H22O18,pos_1_1proton1ammonium,634.080613864,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20038,714,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,3,8.5 20039,714,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-BEJOYRPXSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1",O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@@H]1O,C27H22O18,pos_1_1proton1ammonium,634.080613864,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20040,711,-1,,,,0.81619585,ISDB,,,,,,,WGQCKYRWBUZEEG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.2647833824157715 20041,710,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20042,710,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20043,710,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,3,8.5 20044,710,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-BEJOYRPXSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1",O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@@H]1O,C27H22O18,pos_1_1proton,634.080613864,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20045,710,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,3,8.5 20046,710,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-BEJOYRPXSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1",O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@@H]1O,C27H22O18,pos_1_1proton,634.080613864,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20047,709,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.4256938,ISDB,ADCWWONRVSXNJV-UHFFFAOYSA-N,"InChI=1S/C27H20O17/c28-5-13-20-19(36)23(27(40-13)44-24(37)6-1-9(29)16(33)10(30)2-6)43-26(39)8-4-12(32)18(35)22-15(8)14-7(25(38)42-20)3-11(31)17(34)21(14)41-22/h1-4,13,19-20,23,27-36H,5H2",O=C(OC1OC(CO)C2OC(=O)c3cc(O)c(O)c4oc5c(O)c(O)cc(c5c34)C(=O)OC1C2O)c1cc(O)c(O)c(O)c1,C27H20O17,,616.07004918,ADCWWONRVSXNJV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Phyllanthus emblica,399352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus emblica'],4,3,7.202775239944458 20048,706,527,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,2,8.0 20049,705,180,Shikimates and Phenylpropanoids,,,0.0,MS1_match,DPTPQXXDBLPEOP-UHFFFAOYSA-N,"InChI=1S/C9H12O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6,10-12H,1-2,5H2",OCCCc1ccc(O)c(O)c1,C9H12O3,pos_1_1proton1acetonitrile,168.078644244,DPTPQXXDBLPEOP,,,,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 20050,703,302,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,0.0,MS1_match,SUSGJBHGRXXLLU-UHFFFAOYSA-N,"InChI=1S/C18H20O6/c1-22-16-13(12(19)10-9-11-7-5-4-6-8-11)17(23-2)15(21)18(24-3)14(16)20/h4-8,20-21H,9-10H2,1-3H3",COc1c(O)c(OC)c(C(=O)CCc2ccccc2)c(OC)c1O,C18H20O6,pos_2_2proton,332.12598835999995,SUSGJBHGRXXLLU,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera lucida,958491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera lucida'],6,3,7.5 20051,702,-1,,,,0.0,MS1_match,CMJGAYUQSLJSCR-UHFFFAOYSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2",O=C1OCC(Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2,C20H16O6,pos_1_1proton1dmso,352.094688232,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 20052,702,-1,,,,0.0,MS1_match,CMJGAYUQSLJSCR-UHFFFAOYSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2",O=C1OCC(Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2,C20H16O6,pos_1_1proton1dmso,352.094688232,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 20053,702,-1,,,,0.0,MS1_match,CMJGAYUQSLJSCR-UHFFFAOYSA-N,"InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2",O=C1OCC(Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2,C20H16O6,pos_1_1proton1dmso,352.094688232,CMJGAYUQSLJSCR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 20054,701,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.44642484,ISDB,SJDDGZBVGOKCKT-AUAPZSSCSA-N,"InChI=1S/C30H24O14/c31-11-5-14(33)22-20(6-11)43-30(10-3-17(36)26(40)18(37)4-10)29(41)24(22)23-21(44-30)8-13(32)12-7-19(38)27(42-28(12)23)9-1-15(34)25(39)16(35)2-9/h1-6,8,19,24,27,29,31-41H,7H2/t19-,24+,27+,29+,30-/m0/s1",Oc1cc(O)c2c(c1)O[C@@]1(c3cc(O)c(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C4,C30H24O14,,608.116605448,SJDDGZBVGOKCKT,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Phyllanthus emblica,399352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus emblica'],4,3,7.285699367523193 20055,699,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.45186788,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Daucus carota,372836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Daucus'],['Daucus carota'],5,2,7.807471513748169 20056,699,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.45186788,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Coriandrum sativum,2476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Coriandreae'],['Coriandrum'],['Coriandrum sativum'],5,2,7.807471513748169 20057,699,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.45186788,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Pimpinella anisum,700330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Pimpinelleae'],['Pimpinella'],['Pimpinella anisum'],5,2,7.807471513748169 20058,699,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.45186788,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Anethum graveolens,378039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Anethum'],['Anethum graveolens'],5,2,7.807471513748169 20059,699,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.45186788,ISDB,SBHXYTNGIZCORC-ZDUSSCGKSA-N,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,SBHXYTNGIZCORC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Petroselinum crispum,2485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Petroselinum'],['Petroselinum crispum'],5,2,7.807471513748169 20060,698,2,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,pos_1_1proton1ethylamine,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Machilus zuihoensis,36198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus zuihoensis'],6,3,7.5 20061,698,2,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CDICDSOGTRCHMG-ONEGZZNKSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",COc1cc(/C=C/C=O)cc(OC)c1O,C11H12O4,pos_1_1proton1ethylamine,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aralia bipinnata,553970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia bipinnata'],6,3,7.5 20062,698,2,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QSGMKFMIYYKIKX-NSCUHMNNSA-N,"InChI=1S/C11H12O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-3,5-6,12H,4,7H2,1H3/b3-2+",COc1cc(/C=C/CO)cc2c1OCO2,C11H12O4,pos_1_1proton1ethylamine,208.073558864,QSGMKFMIYYKIKX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cinnamomum subavenium,17156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum subavenium'],6,3,7.5 20063,697,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40141684,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],5,3,8.105667352676392 20064,697,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40141684,ISDB,RTEDIEITOBJPNI-MMKMIGCXSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C30H26O14,,610.1322555119999,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],5,3,8.105667352676392 20065,697,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40141684,ISDB,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Castanea,452591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Unknown'],5,3,8.105667352676392 20066,697,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40141684,ISDB,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],5,3,8.105667352676392 20067,697,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40141684,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Platycarya strobilacea,264610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Juglandaceae'],['Unknown'],['Platycarya'],['Platycarya strobilacea'],5,3,8.105667352676392 20068,697,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.40141684,ISDB,RTEDIEITOBJPNI-MDPSILPBSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C30H26O14,,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Quercus robur,239659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus robur'],5,3,8.105667352676392 20069,692,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7967642,ISDB,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,3,12.68705677986145 20070,692,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7967642,ISDB,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],8,3,12.68705677986145 20071,692,89,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7967642,ISDB,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pyrus pyrifolia,443418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyrifolia'],8,3,12.68705677986145 20072,691,-1,,,,0.0,MS1_match,KKEXONXLVLHEJJ-FQEVSTJZSA-N,"InChI=1S/C23H20O5/c1-27-21-12-18(25)16(11-15-9-5-6-10-17(15)24)23-22(21)19(26)13-20(28-23)14-7-3-2-4-8-14/h2-10,12,20,24-25H,11,13H2,1H3/t20-/m0/s1",COc1cc(O)c(Cc2ccccc2O)c2c1C(=O)C[C@@H](c1ccccc1)O2,C23H20O5,pos_2MMg,376.13107374,KKEXONXLVLHEJJ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Micromeles ferruginea,7637458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Micromeles'],['Micromeles ferruginea'],7,0,7.0 20073,690,-1,,,,0.30956376,ISDB,,,,,,,OQVZJGGNKYGQLT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2382550239562988 20074,688,1393,,,,0.0,MS1_match,JQVZYONXFQBJLS-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5-2-3-6(7)4-8-5/h5H,2-4H2,1H3",CC1CCC(=O)CO1,C6H10O2,pos_2MHCH3CN,114.06807956,JQVZYONXFQBJLS,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20075,688,1393,,,,0.0,MS1_match,CZEOXNDFAPPJHG-UHFFFAOYSA-N,"InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-4H2,1-2H3",CC1=C(C)OC(=O)CC1,C7H10O2,pos_2MHNH3,126.06807956,CZEOXNDFAPPJHG,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20076,684,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.7726585,ISDB,ALHVSADYXQWYJH-UHFFFAOYSA-N,InChI=1S/C10H6O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-6H,O=Cc1cc2ccccc2c(=O)o1,C10H6O3,,174.031694052,ALHVSADYXQWYJH,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Artemisia campestris,408655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia campestris'],4,1,7.590634107589722 20077,684,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.7726585,ISDB,ALHVSADYXQWYJH-UHFFFAOYSA-N,InChI=1S/C10H6O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-6H,O=Cc1cc2ccccc2c(=O)o1,C10H6O3,,174.031694052,ALHVSADYXQWYJH,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Artemisia dracunculus,1070795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia dracunculus'],4,1,7.590634107589722 20078,683,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78419435,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.636777400970459 20079,683,552,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.78419435,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.636777400970459 20080,682,527,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1proton1ethylamine,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,3,7.5 20081,682,527,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1proton1ethylamine,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,3,7.5 20082,682,527,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1proton1ethylamine,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],6,3,7.5 20083,682,527,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1proton1ethylamine,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],6,3,7.5 20084,681,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.79410917,ISDB,QFQYZMGOKIROEC-DUXPYHPUSA-N,"InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+",O=C(O)/C=C/c1ccc2c(c1)OCO2,C10H8O4,,192.042258736,QFQYZMGOKIROEC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],4,1,7.67643666267395 20085,681,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.79410917,ISDB,QFQYZMGOKIROEC-DUXPYHPUSA-N,"InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+",O=C(O)/C=C/c1ccc2c(c1)OCO2,C10H8O4,,192.042258736,QFQYZMGOKIROEC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brombya platynema,5233170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Brombya'],['Brombya platynema'],4,1,7.67643666267395 20086,681,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.79410917,ISDB,QFQYZMGOKIROEC-DUXPYHPUSA-N,"InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+",O=C(O)/C=C/c1ccc2c(c1)OCO2,C10H8O4,,192.042258736,QFQYZMGOKIROEC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,1,7.67643666267395 20087,681,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.79410917,ISDB,QFQYZMGOKIROEC-DUXPYHPUSA-N,"InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+",O=C(O)/C=C/c1ccc2c(c1)OCO2,C10H8O4,,192.042258736,QFQYZMGOKIROEC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,1,7.67643666267395 20088,680,2255,,,,0.25639245,ISDB,TUNPWIUIRCNHPM-WDCWCFNPSA-N,"InChI=1S/C15H21NO5/c1-2-8-5-10-9(3-4-13(10)18)11(6-8)14(19)16-12(7-17)15(20)21/h6,8-10,12,17H,2-5,7H2,1H3,(H,16,19)(H,20,21)/t8-,9+,10+,12+/m1/s1",CC[C@H]1C=C(C(=O)N[C@@H](CO)C(=O)O)[C@H]2CCC(=O)[C@H]2C1,C15H21NO5,,295.141972772,TUNPWIUIRCNHPM,,,,Pseudomonas syringae,413638.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Pseudomonadales'],['Pseudomonadaceae'],['Unknown'],['Pseudomonas'],['Pseudomonas syringae'],0,0,1.0255697965621948 20089,679,-1,,,,0.0,MS1_match,ZUILVKYUNYJWMV-JTRBZCFYSA-N,"InChI=1S/C28H48N2/c1-19(29(6)7)22-15-17-28(5)24-12-11-23-20(18-21(24)14-16-27(22,28)4)10-13-25(30(8)9)26(23,2)3/h14,18-19,22-25H,10-13,15-17H2,1-9H3/t19-,22+,23+,24+,25-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C,C28H48N2,pos_2_1magnesium,412.381749536,ZUILVKYUNYJWMV,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20090,678,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.66914785,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],4,3,8.176591396331787 20091,678,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.66914785,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Remusatia vivipara,1023103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Remusatia'],['Remusatia vivipara'],4,3,8.176591396331787 20092,678,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.66914785,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,8.176591396331787 20093,678,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.66914785,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,3,8.176591396331787 20094,678,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.66914785,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.176591396331787 20095,678,1023,Alkaloids,Ornithine alkaloids,Polyamines,0.66914785,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,8.176591396331787 20096,676,-1,,,,0.0,MS1_match,KYRNFTRJARVVEU-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-2-6(8)9-5(4)3-7/h2-3,8H,1H3",Cc1cc(O)oc1C=O,C6H6O3,pos_2MHNH3,126.031694052,KYRNFTRJARVVEU,,,,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,0,6.0 20097,676,-1,,,,0.0,MS1_match,NOEGNKMFWQHSLB-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",O=Cc1ccc(CO)o1,C6H6O3,pos_2MHNH3,126.031694052,NOEGNKMFWQHSLB,Polyketides,Cyclic polyketides,Furans,Prunus mume,426562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mume'],6,0,6.0 20098,675,-1,,,,0.0,MS1_match,QILSEMOPVAZWLY-DSJRXEMUSA-N,"InChI=1S/C28H46N2O/c1-19(29(5)6)22-13-15-28(4)24-10-9-23-20(16-21(24)12-14-27(22,28)3)8-11-25-26(23,2)17-31-18-30(25)7/h12,16,19,22-25H,8-11,13-15,17-18H2,1-7H3/t19-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C)N(C)C,C28H46N2O,pos_2_1magnesium,426.361014092,QILSEMOPVAZWLY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20099,675,-1,,,,0.0,MS1_match,OJABFNKICCPMPG-APAUBBSSSA-N,"InChI=1S/C28H46N2O/c1-18(29-19(2)31)22-14-16-28(6)24-11-10-23-20(17-21(24)13-15-27(22,28)5)9-12-25(30(7)8)26(23,3)4/h13,17-18,22-25H,9-12,14-16H2,1-8H3,(H,29,31)/t18-,22+,23+,24+,25-,27+,28-/m0/s1",CC(=O)N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C28H46N2O,pos_2_1magnesium,426.361014092,OJABFNKICCPMPG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20100,674,-1,,,,0.0,MS1_match,HDQFIVFINXJTNV-LSDHHAIUSA-N,"InChI=1S/C22H30O5/c1-14(9-16-7-8-18(23)19(11-16)24-3)15(2)10-17-12-20(25-4)22(27-6)21(13-17)26-5/h7-8,11-15,23H,9-10H2,1-6H3/t14-,15+/m0/s1",COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)ccc1O,C22H30O5,pos_1_minus1proton1iron,374.2093240599999,HDQFIVFINXJTNV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Machilus robusta,587989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus robusta'],6,0,6.0 20101,674,-1,,,,0.0,MS1_match,JHEXMPZEYDIRNZ-AYSMAOOMSA-N,"InChI=1S/C22H30O5/c1-14(11-16-7-9-18(24-3)20(12-16)26-5)15(2)22(23)17-8-10-19(25-4)21(13-17)27-6/h7-10,12-15,22-23H,11H2,1-6H3/t14-,15-,22+/m0/s1",COc1ccc(C[C@H](C)[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC,C22H30O5,pos_1_minus1proton1iron,374.20932406,JHEXMPZEYDIRNZ,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Nectandra puberula,6027005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra puberula'],6,0,6.0 20102,674,-1,,,,0.0,MS1_match,FQVOUBMAFAEGLT-ZDMFQPKKSA-N,"InChI=1S/C22H30O5/c1-7-11-21-14-17(23-3)10-12-22(21,26-6)27-20(15(21)2)16-8-9-18(24-4)19(13-16)25-5/h7-10,12-13,15,17,20H,1,11,14H2,2-6H3/t15-,17+,20-,21-,22+/m1/s1",C=CC[C@]12C[C@@H](OC)C=C[C@]1(OC)O[C@@H](c1ccc(OC)c(OC)c1)[C@H]2C,C22H30O5,pos_1_minus1proton1iron,374.20932406,FQVOUBMAFAEGLT,Shikimates and Phenylpropanoids,Lignans,Neolignans,Ocotea porosa,5919678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea porosa'],6,0,6.0 20103,674,-1,,,,0.0,MS1_match,CHICGHALZFQFLW-BREDGVMVSA-N,"InChI=1S/C22H30O5/c1-6-11-22(14-17(25-3)8-10-21(22)24)15(2)18(23)12-16-7-9-19(26-4)20(13-16)27-5/h6-10,13,15,17-18,23H,1,11-12,14H2,2-5H3/t15-,17+,18+,22-/m0/s1",C=CC[C@@]1([C@@H](C)[C@H](O)Cc2ccc(OC)c(OC)c2)C[C@H](OC)C=CC1=O,C22H30O5,pos_1_minus1proton1iron,374.20932406,CHICGHALZFQFLW,,,,Ocotea porosa,5919678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea porosa'],6,0,6.0 20104,673,1293,Terpenoids,Diterpenoids,pteridine alkaloids,0.0,MS1_match,VOWJIFKFNBEVKN-NHCASCSRSA-N,"InChI=1S/C24H28O6/c1-13-14(2)24(18-8-10-20(30-16(4)26)22(12-18)28-6)23(13)17-7-9-19(29-15(3)25)21(11-17)27-5/h7-14,23-24H,1-6H3/t13-,14-,23-,24-/m0/s1",COc1cc([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O,C24H28O6,pos_2MMg,412.1885886159999,VOWJIFKFNBEVKN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Endiandra anthropophagorum,6026191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Endiandra'],['Endiandra anthropophagorum'],6,0,6.0 20105,672,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4187619,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Eucommia ulmoides,743836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Garryales'],['Eucommiaceae'],['Unknown'],['Eucommia'],['Eucommia ulmoides'],4,1,6.1750476360321045 20106,672,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4187619,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lamium album,332796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lamieae'],['Lamium'],['Lamium album'],4,1,6.1750476360321045 20107,672,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4187619,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,1,6.1750476360321045 20108,672,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4187619,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Garrya elliptica,148281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Garryales'],['Garryaceae'],['Unknown'],['Garrya'],['Garrya elliptica'],4,1,6.1750476360321045 20109,672,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4187619,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rothmannia globosa,3878139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Rothmannia'],['Rothmannia globosa'],4,1,6.1750476360321045 20110,672,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4187619,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Apodytes dimidiata,979569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Metteniusales'],['Metteniusaceae'],['Unknown'],['Apodytes'],['Apodytes dimidiata'],4,1,6.1750476360321045 20111,672,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4187619,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia,840077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Unknown'],4,1,6.1750476360321045 20112,672,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4187619,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Genipa americana,771037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Genipa'],['Genipa americana'],4,1,6.1750476360321045 20113,671,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.5306934,ISDB,CDICDSOGTRCHMG-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3",COc1cc(C=CC=O)cc(OC)c1O,C11H12O4,,208.073558864,CDICDSOGTRCHMG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Machilus zuihoensis,36198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus zuihoensis'],6,3,9.62277364730835 20114,669,-1,,,,0.0,MS1_match,AWHHJEGHYHOVRN-UJPOAAIJSA-N,"InChI=1S/C13H18O8/c14-4-6-1-2-8(7(16)3-6)20-13-12(19)11(18)10(17)9(5-15)21-13/h1-3,9-19H,4-5H2/t9-,10-,11+,12-,13-/m1/s1",OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C13H18O8,pos_1_1sodium,302.100167536,AWHHJEGHYHOVRN,Shikimates and Phenylpropanoids,,,Pyrus calleryana,217646.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus calleryana'],8,0,8.0 20115,666,-1,,,,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1dmso,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 20116,666,-1,,,,0.0,MS1_match,MATGKVZWFZHCLI-LSDHHAIUSA-N,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,C20H22O6,pos_1_1proton1dmso,358.14163842399995,MATGKVZWFZHCLI,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 20117,665,-1,,,,0.46873498,ISDB,RRKMWVISRMWBAL-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3",COc1cc(C=O)cc(O)c1O,C8H8O4,,168.042258736,RRKMWVISRMWBAL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pluchea indica,446140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea indica'],4,0,5.874939918518066 20118,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia sanguinolenta,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.683127760887146 20119,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia complanata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.683127760887146 20120,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia paniculata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.683127760887146 20121,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia colorata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.683127760887146 20122,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-UHFFFAOYSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2",O=C1OC2C(OC(CO)C(O)C2O)c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia japonica,565684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia japonica'],4,3,6.683127760887146 20123,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Flueggea virosa,351505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea virosa'],4,3,6.683127760887146 20124,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-HZQLJAILSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Rodgersia podophylla,429366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Rodgersia'],['Rodgersia podophylla'],4,3,6.683127760887146 20125,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Saxifraga stolonifera,816926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Saxifraga'],['Saxifraga stolonifera'],4,3,6.683127760887146 20126,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],4,3,6.683127760887146 20127,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],4,3,6.683127760887146 20128,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],4,3,6.683127760887146 20129,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-UHFFFAOYSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2",O=C1OC2C(OC(CO)C(O)C2O)c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,3,6.683127760887146 20130,659,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.29578194,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],4,3,6.683127760887146 20131,657,-1,,,,0.0,MS1_match,NMRPBPVERJPACX-UHFFFAOYSA-N,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3",CCCCCC(O)CC,C8H18O,pos_1_1proton1acetonitrile,130.135765196,NMRPBPVERJPACX,Fatty acids,Fatty acyls,Fatty alcohols,Picea omorika,771684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea omorika'],7,0,7.0 20132,657,-1,,,,0.0,MS1_match,WRYLYDPHFGVWKC-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",CC1=CCC(O)(C(C)C)CC1,C10H18O,pos_1_1proton1ammonium,154.135765196,WRYLYDPHFGVWKC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea omorika,771684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea omorika'],7,0,7.0 20133,657,-1,,,,0.0,MS1_match,WUOACPNHFRMFPN-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",CC1=CCC(C(C)(C)O)CC1,C10H18O,pos_1_1proton1ammonium,154.135765196,WUOACPNHFRMFPN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea omorika,771684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea omorika'],7,0,7.0 20134,656,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.23594898,ISDB,NVTLDVSBUJGIAD-QHBXHTPSSA-N,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34-,35+,39-,40-,41+,42+,43+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C45H38O21,,914.1905582360004,NVTLDVSBUJGIAD,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],4,3,6.443795919418335 20135,656,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.23594898,ISDB,NVTLDVSBUJGIAD-YXPYEDIHSA-N,"InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34+,35-,39+,40+,41-,42-,43-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C45H38O21,,914.190558236,NVTLDVSBUJGIAD,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],4,3,6.443795919418335 20136,652,-1,,,,0.0,MS1_match,UKYKCLFPJXHNON-ZWMPHZAGSA-N,"InChI=1S/C16H24O10/c1-24-9-4-7(2-3-8(9)19)12(20)10(5-17)25-16-15(23)14(22)13(21)11(6-18)26-16/h2-4,10-23H,5-6H2,1H3/t10-,11+,12-,13+,14-,15+,16+/m0/s1",COc1cc([C@H](O)[C@H](CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H24O10,pos_1_1sodium,376.1369469679999,UKYKCLFPJXHNON,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 20137,652,-1,,,,0.0,MS1_match,JUYHDXTVLYGGTJ-BRERNLBNSA-N,"InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)18)12(20)9(19)6-25-16-15(23)14(22)13(21)11(5-17)26-16/h2-4,9,11-23H,5-6H2,1H3/t9-,11-,12-,13-,14+,15-,16-/m1/s1",COc1cc([C@@H](O)[C@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C16H24O10,pos_1_1sodium,376.1369469679999,JUYHDXTVLYGGTJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 20138,650,-1,,,,0.0,MS1_match,WRBJIPNZGJUCOJ-UHFFFAOYSA-N,"InChI=1S/C19H22O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-8,12-13,20-21H,9-11H2,1-2H3",CC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O,C19H22O2,pos_1_minus1proton1iron,282.161979944,WRBJIPNZGJUCOJ,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Glycyrrhiza lepidota,38037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza lepidota'],6,0,6.0 20139,650,-1,,,,0.0,MS1_match,BIRSGZKFKXLSJQ-SQOUGZDYSA-N,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1",O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C6H13O10P,pos_1_1proton1isopropanol,276.024633246,BIRSGZKFKXLSJQ,Carbohydrates,Saccharides,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20140,649,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-UHFFFAOYSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3",CC1=C(C)C2CCC1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20141,649,-1,,,,0.0,MS1_match,LSIXBBPOJBJQHN-DTORHVGOSA-N,"InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3/t8-,9+",CC1=C(C)[C@H]2CC[C@@H]1C2,C9H14,pos_1_1proton1ammonium,122.109550448,LSIXBBPOJBJQHN,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20142,649,-1,,,,0.0,MS1_match,CXQRNYIKPJXYLU-ZHBVTVBMSA-N,"InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1",C/C=C/[C@H]1CCC[C@@H](C)N1,C9H17N,pos_1_1proton,139.136099544,CXQRNYIKPJXYLU,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20143,648,1544,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,0.0,MS1_match,DVJHWTLBEYCZJZ-VGMNWLOBSA-N,"InChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1",C[C@H](O)C[C@@H]1CCC[C@@H](C)N1,C9H19NO,pos_1_1proton,157.146664228,DVJHWTLBEYCZJZ,Alkaloids,Pseudoalkaloids,Acetate-derived alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 20144,647,464,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,WKBYYEDQGZSMCP-CNLUTGEBSA-N,"InChI=1S/C28H44N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,12,17,19,21-23,25H,9-11,13-16H2,1-7H3,(H,29,31)/b18-8+/t19-,21-,22-,23+,25-,27-,28+/m0/s1",C/C=C(\C)C(=O)N[C@@H]1C=C2CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,C28H44N2O,pos_2_1magnesium,424.345364028,WKBYYEDQGZSMCP,Terpenoids,Steroids,Pregnane steroids,Sarcococca saligna,332838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca saligna'],6,3,7.5 20145,638,-1,,,,0.5820418,ISDB,XXBQCKGZTFHKKF-YPENRWOSSA-N,"InChI=1S/C22H22O6/c1-9-5-11-16(25)8-13(21(27)20(11)17(26)6-9)18-10(2)7-12-14(23)3-4-15(24)19(12)22(18)28/h5-7,13-14,21,23,26-28H,3-4,8H2,1-2H3/t13-,14+,21+/m1/s1",Cc1cc(O)c2c(c1)C(=O)C[C@H](c1c(C)cc3c(c1O)C(=O)CC[C@@H]3O)[C@@H]2O,C22H22O6,,382.141638424,XXBQCKGZTFHKKF,Polyketides,Polycyclic aromatic polyketides,,Euclea natalensis,520661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Euclea'],['Euclea natalensis'],4,0,6.328167200088501 20146,636,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,0,7.0 20147,636,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,0,7.0 20148,636,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,0,7.0 20149,636,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,0,7.0 20150,636,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,0,7.0 20151,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia sanguinolenta,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.6409832239151 20152,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia complanata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.6409832239151 20153,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia paniculata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.6409832239151 20154,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia colorata,1055567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia paniculata'],4,3,6.6409832239151 20155,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-UHFFFAOYSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2",O=C1OC2C(OC(CO)C(O)C2O)c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Ardisia japonica,565684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia japonica'],4,3,6.6409832239151 20156,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Flueggea virosa,351505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea virosa'],4,3,6.6409832239151 20157,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-HZQLJAILSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Rodgersia podophylla,429366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Rodgersia'],['Rodgersia podophylla'],4,3,6.6409832239151 20158,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-VPOXOROISA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8+,10+,11+,12+/m1/s1",O=C1O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Saxifraga stolonifera,816926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Saxifragaceae'],['Unknown'],['Saxifraga'],['Saxifraga stolonifera'],4,3,6.6409832239151 20159,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],4,3,6.6409832239151 20160,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],4,3,6.6409832239151 20161,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],4,3,6.6409832239151 20162,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-UHFFFAOYSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2",O=C1OC2C(OC(CO)C(O)C2O)c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,3,6.6409832239151 20163,634,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.2852458,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Peltophorum africanum,560529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Peltophorum'],['Peltophorum africanum'],4,3,6.6409832239151 20164,633,1019,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple phenolic acids,0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton1acetonitrile,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,3,10.5 20165,631,1019,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple phenolic acids,0.0,MS1_match,AFDXODALSZRGIH-QPJJXVBHSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+",COc1ccc(/C=C/C(=O)O)cc1,C10H10O3,pos_1_1proton1ammonium,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Spiraea salicifolia,437899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea salicifolia'],6,2,7.0 20166,630,1958,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,0.0,MS1_match,QFUYWQPDFLHXSV-MRXNPFEDSA-N,"InChI=1S/C21H26O5/c1-24-17-11-8-14-7-10-16(22)6-4-3-5-15-9-12-18(26-19(17)13-14)21(25-2)20(15)23/h8-9,11-13,16,22-23H,3-7,10H2,1-2H3/t16-/m1/s1",COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCC[C@@H](O)CC2,C21H26O5,pos_2_1magnesium,358.178023932,QFUYWQPDFLHXSV,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,3,7.5 20167,630,1958,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,0.0,MS1_match,QFUYWQPDFLHXSV-MRXNPFEDSA-N,"InChI=1S/C21H26O5/c1-24-17-11-8-14-7-10-16(22)6-4-3-5-15-9-12-18(26-19(17)13-14)21(25-2)20(15)23/h8-9,11-13,16,22-23H,3-7,10H2,1-2H3/t16-/m1/s1",COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCC[C@@H](O)CC2,C21H26O5,pos_2_1magnesium,358.178023932,QFUYWQPDFLHXSV,Shikimates and Phenylpropanoids,Diarylheptanoids,Diarylether type diarylheptanoids,Alnus hirsuta,639096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus hirsuta'],6,3,7.5 20168,629,-1,,,,0.0,MS1_match,WLJVXDMOQOGPHL-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",O=C(O)Cc1ccccc1,C8H8O2,pos_1_1proton,136.052429496,WLJVXDMOQOGPHL,Shikimates and Phenylpropanoids,,,Pinus edulis,568629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus edulis'],6,0,6.0 20169,628,2087,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.0,MS1_match,SNUANQYZLYFQEB-AJBSGBCOSA-N,"InChI=1S/C12H20O5/c1-7(13)2-8(14)3-9-4-10-5-11(16-9)6-12(15)17-10/h7-11,13-14H,2-6H2,1H3/t7-,8-,9-,10-,11+/m0/s1",C[C@H](O)C[C@H](O)C[C@H]1C[C@H]2C[C@H](CC(=O)O2)O1,C12H20O5,pos_1_1proton1ammonium,244.13107374,SNUANQYZLYFQEB,Polyketides,,,Cryptocarya latifolia,5232060.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya latifolia'],6,0,6.0 20170,625,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2MNa,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,0,7.0 20171,625,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2MNa,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,0,7.0 20172,625,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2MNa,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,0,7.0 20173,625,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2MNa,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,0,7.0 20174,625,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2MNa,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,0,7.0 20175,624,-1,,,,0.7178258,ISDB,MHTLPFVHBVOGMZ-UHFFFAOYSA-N,"InChI=1S/C10H13NO2/c1-13-10-5-8-6-11-3-2-7(8)4-9(10)12/h4-5,11-12H,2-3,6H2,1H3",COc1cc2c(cc1O)CCNC2,C10H13NO2,,179.094628656,MHTLPFVHBVOGMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Echinocereus enneacanthus,278473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Echinocereeae'],['Echinocereus'],['Echinocereus enneacanthus'],4,0,6.871303081512451 20176,623,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_2_2proton,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 20177,623,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_2_2proton,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 20178,620,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,3,8.5 20179,620,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,8.5 20180,620,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,8.5 20181,620,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,8.5 20182,620,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,8.5 20183,619,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.24894829,ISDB,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,3,9.495793163776398 20184,619,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.24894829,ISDB,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,9.495793163776398 20185,619,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.24894829,ISDB,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,9.495793163776398 20186,619,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.24894829,ISDB,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,9.495793163776398 20187,619,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.24894829,ISDB,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,9.495793163776398 20188,618,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47025225,ISDB,RADKZDMFGJYCBB-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",Cc1ncc(CO)c(C=O)c1O,C8H9NO3,,167.058243148,RADKZDMFGJYCBB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,7.881008982658386 20189,617,-1,,,,0.28585467,ISDB,IBWIDYNKCGIMFM-UHFFFAOYSA-N,"InChI=1S/C11H16O8/c1-4-10(5(13)3-17-4)19-11-9(16)8(15)7(14)6(2-12)18-11/h6-9,11-12,14-16H,2-3H2,1H3",CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CO1,C11H16O8,,276.084517472,IBWIDYNKCGIMFM,,,,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,0,7.143418669700623 20190,616,2097,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,YUWBTKIVDAWQHK-UHFFFAOYSA-N,"InChI=1S/C18H15NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,8-9H,6-7,10H2,1H3",CN1CCc2cc3c(c4c2c1cc1ccccc14)OCO3,C18H15NO2,pos_2_2proton1acetonitrile,277.11027872,YUWBTKIVDAWQHK,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Colubrina faralaotra,6108928.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Unknown'],['Colubrina'],['Colubrina faralaotra'],6,3,7.5 20191,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Tephrosia purpurea,138659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia purpurea'],6,0,6.0 20192,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],6,0,6.0 20193,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia pulchra,273760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia pulchra'],6,0,6.0 20194,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Derris ovalifolia,583850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris ovalifolia'],6,0,6.0 20195,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia ovalifolia,7633024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia ovalifolia'],6,0,6.0 20196,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia erythrocalyx,5147402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia erythrocalyx'],6,0,6.0 20197,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia sanagana,3920563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia sanagana'],6,0,6.0 20198,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia peguensis,830319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia peguensis'],6,0,6.0 20199,615,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Dahlstedtia pinnata,869824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Dahlstedtia'],['Dahlstedtia pinnata'],6,0,6.0 20200,614,-1,,,,0.0,MS1_match,IBWIDYNKCGIMFM-UHFFFAOYSA-N,"InChI=1S/C11H16O8/c1-4-10(5(13)3-17-4)19-11-9(16)8(15)7(14)6(2-12)18-11/h6-9,11-12,14-16H,2-3H2,1H3",CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CO1,C11H16O8,pos_1_1sodium,276.084517472,IBWIDYNKCGIMFM,,,,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,0,6.0 20201,613,-1,,,,0.0,MS1_match,IBWIDYNKCGIMFM-UHFFFAOYSA-N,"InChI=1S/C11H16O8/c1-4-10(5(13)3-17-4)19-11-9(16)8(15)7(14)6(2-12)18-11/h6-9,11-12,14-16H,2-3H2,1H3",CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CO1,C11H16O8,pos_1_1proton1ethylamine,276.084517472,IBWIDYNKCGIMFM,,,,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,0,6.0 20202,612,-1,,,,0.0,MS1_match,IBWIDYNKCGIMFM-UHFFFAOYSA-N,"InChI=1S/C11H16O8/c1-4-10(5(13)3-17-4)19-11-9(16)8(15)7(14)6(2-12)18-11/h6-9,11-12,14-16H,2-3H2,1H3",CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CO1,C11H16O8,pos_2MNa,276.084517472,IBWIDYNKCGIMFM,,,,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,0,6.0 20203,610,-1,,,,0.0,MS1_match,IBWIDYNKCGIMFM-UHFFFAOYSA-N,"InChI=1S/C11H16O8/c1-4-10(5(13)3-17-4)19-11-9(16)8(15)7(14)6(2-12)18-11/h6-9,11-12,14-16H,2-3H2,1H3",CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CO1,C11H16O8,pos_1_1potassium,276.084517472,IBWIDYNKCGIMFM,,,,Juniperus phoenicea,740296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Juniperus'],['Juniperus phoenicea'],6,0,6.0 20204,609,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1potassium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,0,7.0 20205,609,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1potassium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,0,7.0 20206,609,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1potassium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,0,7.0 20207,609,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1potassium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,0,7.0 20208,609,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1potassium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,0,7.0 20209,609,-1,,,,0.0,MS1_match,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,pos_1_1sodium1acetonitrile,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Bauhinia purpurea,560318.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia purpurea'],7,0,7.0 20210,607,967,Terpenoids,Small peptides,Aminoacids,0.59415287,ISDB,LDCYZAJDBXYCGN-UHFFFAOYSA-N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,C11H12N2O3,,220.084792244,LDCYZAJDBXYCGN,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,7.8766114711761475 20211,606,851,Alkaloids,Flavonoids,Simple indole alkaloids,0.0,MS1_match,KMAKOBLIOCQGJP-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",O=C(O)c1c[nH]c2ccccc12,C9H7NO2,pos_1_1proton,161.047678464,KMAKOBLIOCQGJP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Bauhinia tarapotensis,3916404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia tarapotensis'],7,3,8.5 20212,604,739,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,0.68973285,ISDB,JFXXTGMGGRAQPX-UHFFFAOYSA-N,"InChI=1S/C15H9ClO6/c16-13-9(20)3-8(19)11-12(13)14(21)6-1-5(4-17)2-7(18)10(6)15(11)22/h1-3,17-20H,4H2",O=C1c2c(O)cc(CO)cc2C(=O)c2c(Cl)c(O)cc(O)c21,C15H9ClO6,,320.008765688,JFXXTGMGGRAQPX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Nephroma laevigatum,43547.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Peltigerales'],['Nephromataceae'],['Unknown'],['Nephroma'],['Nephroma laevigatum'],1,3,5.258931398391724 20213,603,-1,,,,0.2590022,ISDB,VMNRUJGOLBSEPK-VIFPVBQESA-N,"InChI=1S/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1",N[C@@H](CCC(=O)Nc1ccccc1)C(=O)O,C11H14N2O3,,222.100442308,VMNRUJGOLBSEPK,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],1,0,2.036008834838867 20214,602,-1,,,,0.0,MS1_match,GOPBSOBZHJQEJA-LAXBZTGHSA-N,"InChI=1S/C24H36O16/c25-5-9-3-1-2-4-11(9)37-24-21(40-23-20(34)17(31)15(29)12(6-26)38-23)18(32)16(30)13(39-24)8-36-22-19(33)14(28)10(27)7-35-22/h1-4,10,12-34H,5-8H2/t10-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-/m1/s1",OCc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C24H36O16,pos_1_1sodium,580.200335072,GOPBSOBZHJQEJA,,,,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,0,6.0 20215,601,-1,,,,0.0,MS1_match,GOPBSOBZHJQEJA-LAXBZTGHSA-N,"InChI=1S/C24H36O16/c25-5-9-3-1-2-4-11(9)37-24-21(40-23-20(34)17(31)15(29)12(6-26)38-23)18(32)16(30)13(39-24)8-36-22-19(33)14(28)10(27)7-35-22/h1-4,10,12-34H,5-8H2/t10-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-/m1/s1",OCc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C24H36O16,pos_2_2sodium,580.200335072,GOPBSOBZHJQEJA,,,,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,0,6.0 20216,600,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BLAKLJDVFMLDKM-OBQZRBNSSA-N,"InChI=1S/C15H18O8/c16-8-4-1-7(2-5-8)3-6-9(17)23-15-13(21)11(19)10(18)12(20)14(15)22/h1-6,10-16,18-22H/b6-3+/t10-,11-,12+,13+,14-,15+",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1proton,326.100167536,BLAKLJDVFMLDKM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,1,7.5 20217,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cajanus cajan,612448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Cajanus'],['Cajanus cajan'],6,0,6.0 20218,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cyclopia subternata,456904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cyclopia'],['Cyclopia subternata'],6,0,6.0 20219,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus onobrychis,340173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus onobrychis'],6,0,6.0 20220,598,-1,,,,0.0,MS1_match,KDADHLPROOOPIC-QMHKHESXSA-N,"InChI=1S/C27H34O7/c1-15(2)16(9-10-27(3,4)31)11-19-20(29)13-24(33-6)25-21(30)14-23(34-26(19)25)18-8-7-17(28)12-22(18)32-5/h7-8,12-13,16,23,28-29,31H,1,9-11,14H2,2-6H3/t16-,23+/m0/s1",C=C(C)[C@@H](CCC(C)(C)O)Cc1c(O)cc(OC)c2c1O[C@@H](c1ccc(O)cc1OC)CC2=O,C27H34O7,pos_2_1magnesium,470.230453428,KDADHLPROOOPIC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],6,0,6.0 20221,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium medium,76048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium medium'],6,0,6.0 20222,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 20223,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lupinus luteus,1086811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus luteus'],6,0,6.0 20224,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lupinus cosentinii,539270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus cosentinii'],6,0,6.0 20225,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Erythrina abyssinica,3921472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina abyssinica'],6,0,6.0 20226,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tetrapleura tetraptera,213992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Tetrapleura'],['Tetrapleura tetraptera'],6,0,6.0 20227,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dalbergia volubilis,3926893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia volubilis'],6,0,6.0 20228,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dalbergia monetaria,717477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia monetaria'],6,0,6.0 20229,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Mucuna membranacea,3921630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Mucuna'],['Mucuna membranacea'],6,0,6.0 20230,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Daviesia latifolia,215901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mirbelieae'],['Daviesia'],['Daviesia latifolia'],6,0,6.0 20231,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clitoria ternatea,404244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Clitoria'],['Clitoria ternatea'],6,0,6.0 20232,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium pratense,839027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pratense'],6,0,6.0 20233,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trifolium alpestre,128247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium alpestre'],6,0,6.0 20234,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cyamopsis tetragonoloba,91411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Cyamopsis'],['Cyamopsis tetragonoloba'],6,0,6.0 20235,598,-1,,,,0.0,MS1_match,KDADHLPROOOPIC-QMHKHESXSA-N,"InChI=1S/C27H34O7/c1-15(2)16(9-10-27(3,4)31)11-19-20(29)13-24(33-6)25-21(30)14-23(34-26(19)25)18-8-7-17(28)12-22(18)32-5/h7-8,12-13,16,23,28-29,31H,1,9-11,14H2,2-6H3/t16-,23+/m0/s1",C=C(C)[C@@H](CCC(C)(C)O)Cc1c(O)cc(OC)c2c1O[C@@H](c1ccc(O)cc1OC)CC2=O,C27H34O7,pos_2_1magnesium,470.230453428,KDADHLPROOOPIC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],6,0,6.0 20236,598,-1,,,,0.0,MS1_match,DZTHIGRZJZPRDV-UHFFFAOYSA-N,"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)",CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C13H14N2O3,pos_1_1proton,246.100442308,DZTHIGRZJZPRDV,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20237,598,-1,,,,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 20238,598,-1,,,,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],6,0,6.0 20239,598,-1,,,,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20240,598,-1,,,,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gliricidia sepium,869024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Gliricidia'],['Gliricidia sepium'],6,0,6.0 20241,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cyclopia falcata,786749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cyclopia'],['Cyclopia falcata'],6,0,6.0 20242,598,-1,,,,0.0,MS1_match,PMOWTIHVNWZYFI-AATRIKPKSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",O=C(O)/C=C/c1ccccc1O,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 20243,598,-1,,,,0.0,MS1_match,PMOWTIHVNWZYFI-AATRIKPKSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",O=C(O)/C=C/c1ccccc1O,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Melilotus albus,38042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus albus'],6,0,6.0 20244,598,-1,,,,0.0,MS1_match,PMOWTIHVNWZYFI-AATRIKPKSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",O=C(O)/C=C/c1ccccc1O,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20245,598,-1,,,,0.0,MS1_match,PMOWTIHVNWZYFI-AATRIKPKSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",O=C(O)/C=C/c1ccccc1O,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gliricidia sepium,869024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Gliricidia'],['Gliricidia sepium'],6,0,6.0 20246,598,-1,,,,0.0,MS1_match,PMOWTIHVNWZYFI-AATRIKPKSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",O=C(O)/C=C/c1ccccc1O,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20247,598,-1,,,,0.0,MS1_match,AXMVYSVVTMKQSL-OWOJBTEDSA-N,"InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+",O=C/C=C/c1ccc(O)c(O)c1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,AXMVYSVVTMKQSL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tachigali paniculata,404627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Tachigali'],['Tachigali paniculata'],6,0,6.0 20248,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Mimosa pudica,333195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Mimosa'],['Mimosa pudica'],6,0,6.0 20249,598,-1,,,,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Amburana cearensis,1053008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amburaneae'],['Amburana'],['Amburana cearensis'],6,0,6.0 20250,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Caragana spinosa,232431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana spinosa'],6,0,6.0 20251,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],6,0,6.0 20252,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cyclopia intermedia,356254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Cyclopia'],['Cyclopia intermedia'],6,0,6.0 20253,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20254,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cicer arietinum,612429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer arietinum'],6,0,6.0 20255,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],6,0,6.0 20256,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus lunatus,989229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus lunatus'],6,0,6.0 20257,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],6,0,6.0 20258,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20259,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vigna radiata var. radiata,1065946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],6,0,6.0 20260,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vigna unguiculata,1065941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna unguiculata'],6,0,6.0 20261,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],6,0,6.0 20262,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lens culinaris,156245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lens'],['Lens culinaris'],6,0,6.0 20263,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus eximius,3923857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus eximius'],6,0,6.0 20264,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lotus tenuis,484504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus tenuis'],6,0,6.0 20265,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lotus creticus,472038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus creticus'],6,0,6.0 20266,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20267,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lotus filicaulis,653433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus filicaulis'],6,0,6.0 20268,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lotus burttii,152567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus burttii'],6,0,6.0 20269,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],6,0,6.0 20270,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus mongholicus,445993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus mongholicus'],6,0,6.0 20271,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus membranaceus,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],6,0,6.0 20272,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20273,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Erythrina americana,3921497.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina americana'],6,0,6.0 20274,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 20275,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Melilotus messanensis,596048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus messanensis'],6,0,6.0 20276,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Melilotus siculus,596048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus messanensis'],6,0,6.0 20277,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus trimestris,263091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus membranaceus'],6,0,6.0 20278,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tadehagi triquetrum,99354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Tadehagi'],['Tadehagi triquetrum'],6,0,6.0 20279,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20280,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haematoxylum brasiletto,896123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Haematoxylum'],['Haematoxylum brasiletto'],6,0,6.0 20281,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Glycine,459704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Unknown'],6,0,6.0 20282,598,-1,,,,0.0,MS1_match,VHLRSKHOMKTLFY-WKAYIHASSA-N,"InChI=1S/C27H34O7/c1-15-17-13-19(28)34-26(17,31)14-18-20(15)21(29)22(33-23(30)16-9-6-5-7-10-16)27(32)24(2,3)11-8-12-25(18,27)4/h5-7,9-10,13,15,18,20-22,29,31-32H,8,11-12,14H2,1-4H3/t15-,18-,20-,21+,22+,25+,26+,27+/m0/s1",C[C@H]1C2=CC(=O)O[C@]2(O)C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C,C27H34O7,pos_2_1magnesium,470.2304534279999,VHLRSKHOMKTLFY,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia,434073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Caesalpinia'],['Unknown'],6,0,6.0 20283,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gliricidia sepium,869024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Gliricidia'],['Gliricidia sepium'],6,0,6.0 20284,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sophora pachycarpa,57102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora pachycarpa'],6,0,6.0 20285,598,-1,,,,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton2acetonitrile,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astragalus floccosifolius,3924893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus floccosifolius'],6,0,6.0 20286,595,287,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.7318288,ISDB,VOGIOFXGPGYBDO-QHUZOQRCSA-N,"InChI=1S/C12H18O8/c1-5-2-6(3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h3,5,7,9-13,15-17H,2,4H2,1H3/t5-,7+,9+,10-,11+,12+/m0/s1",C[C@H]1CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)O1,C12H18O8,,290.100167536,VOGIOFXGPGYBDO,,,,Gerbera jamesonii,1021698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Gerbera'],['Gerbera jamesonii'],4,0,6.9273152351379395 20287,595,287,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,0.7318288,ISDB,VOGIOFXGPGYBDO-UHFFFAOYSA-N,"InChI=1S/C12H18O8/c1-5-2-6(3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h3,5,7,9-13,15-17H,2,4H2,1H3",CC1CC(OC2OC(CO)C(O)C(O)C2O)=CC(=O)O1,C12H18O8,,290.100167536,VOGIOFXGPGYBDO,,,,Oreoseris gossypina,229617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Gerbera'],['Gerbera gossypina'],4,0,6.9273152351379395 20288,592,-1,,,,0.0,MS1_match,BLAKLJDVFMLDKM-OBQZRBNSSA-N,"InChI=1S/C15H18O8/c16-8-4-1-7(2-5-8)3-6-9(17)23-15-13(21)11(19)10(18)12(20)14(15)22/h1-6,10-16,18-22H/b6-3+/t10-,11-,12+,13+,14-,15+",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,BLAKLJDVFMLDKM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 20289,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,MJKVTPMWOKAVMS-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H",O=c1oc2ccccc2cc1O,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,MJKVTPMWOKAVMS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Melilotus siculus,596048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus messanensis'],6,0,6.0 20290,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Bituminaria bituminosa,807795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Bituminaria'],['Bituminaria bituminosa'],6,0,6.0 20291,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen drupaceum,3919784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen drupaceum'],6,0,6.0 20292,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20293,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20294,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen lachnostachys,858423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen lachnostachys'],6,0,6.0 20295,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea leucantha,858421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen leucanthum'],6,0,6.0 20296,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen pustulatum,858414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen pustulatum'],6,0,6.0 20297,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen obtusifolium,3919779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen tomentosum'],6,0,6.0 20298,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Pediomelum canescens,1023723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Pediomelum'],['Pediomelum canescens'],6,0,6.0 20299,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Orbexilum lupinellum,276499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Orbexilum'],['Orbexilum lupinellum'],6,0,6.0 20300,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen cinereum,1076887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen cinereum'],6,0,6.0 20301,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen tomentosum,3919779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen tomentosum'],6,0,6.0 20302,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Orbexilum onobrychis,900821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Orbexilum'],['Orbexilum onobrychis'],6,0,6.0 20303,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Hoita macrostachya,276487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Hoita'],['Hoita macrostachya'],6,0,6.0 20304,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Otholobium glandulosum,812679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Otholobium'],['Otholobium glandulosum'],6,0,6.0 20305,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Pediomelum canescens,1023723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Pediomelum'],['Pediomelum canescens'],6,0,6.0 20306,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Bituminaria bituminosa,807795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Bituminaria'],['Bituminaria bituminosa'],6,0,6.0 20307,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Coronilla glauca,253730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla valentina'],6,0,6.0 20308,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Orbexilum lupinellus,6097148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Orbexilum'],['Orbexilum lupinellus'],6,0,6.0 20309,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Otholobium glandulosum,812679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Otholobium'],['Otholobium glandulosum'],6,0,6.0 20310,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Orbexilum onobrychis,900821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Orbexilum'],['Orbexilum onobrychis'],6,0,6.0 20311,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Hoita macrostachya,276487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Hoita'],['Hoita macrostachya'],6,0,6.0 20312,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,HMUJHZNYHJMOHR-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H,O=c1ccc2c(ccc3ccoc32)o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,HMUJHZNYHJMOHR,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20313,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,HMUJHZNYHJMOHR-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H,O=c1ccc2c(ccc3ccoc32)o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,HMUJHZNYHJMOHR,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20314,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,HMUJHZNYHJMOHR-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H,O=c1ccc2c(ccc3ccoc32)o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,HMUJHZNYHJMOHR,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen plicatum,3919781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen plicatum'],6,0,6.0 20315,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen plicatum,3919781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen plicatum'],6,0,6.0 20316,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea arborea,3919763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Psoralea'],['Psoralea arborea'],6,0,6.0 20317,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea ramulosa,3919769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Psoralea'],['Psoralea ramulosa'],6,0,6.0 20318,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea affinis,3919759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Psoralea'],['Psoralea affinis'],6,0,6.0 20319,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea pullata,3919760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Psoralea'],['Psoralea pullata'],6,0,6.0 20320,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea speciosa,5147488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Psoralea'],['Psoralea speciosa'],6,0,6.0 20321,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea leucantha,858421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen leucanthum'],6,0,6.0 20322,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea glabra,3919739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Psoralea'],['Psoralea glabra'],6,0,6.0 20323,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Psoralea fascicularis,3919742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Psoralea'],['Psoralea fascicularis'],6,0,6.0 20324,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen pustulatum,858414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen pustulatum'],6,0,6.0 20325,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen lachnostachys,858423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen lachnostachys'],6,0,6.0 20326,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen obtusifolium,3919779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen tomentosum'],6,0,6.0 20327,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen cinereum,1076887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen cinereum'],6,0,6.0 20328,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Orbexilum lupinellus,6097148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Orbexilum'],['Orbexilum lupinellus'],6,0,6.0 20329,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Orbexilum lupinellum,276499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Orbexilum'],['Orbexilum lupinellum'],6,0,6.0 20330,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,XDROKJSWHURZGO-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,O=c1ccc2ccc3occc3c2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,XDROKJSWHURZGO,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen tomentosum,3919779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen tomentosum'],6,0,6.0 20331,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen drupaceum,3919784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen drupaceum'],6,0,6.0 20332,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Coronilla scorpioides,253732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla scorpioides'],6,0,6.0 20333,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Coronilla vaginalis,526304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla vaginalis'],6,0,6.0 20334,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Coronilla viminalis,1010772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla viminalis'],6,0,6.0 20335,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Acacia ehrenbergiana,878662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia ehrenbergiana'],6,0,6.0 20336,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cullen drupaceum,3919784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen drupaceum'],6,0,6.0 20337,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coronilla scorpioides,253732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla scorpioides'],6,0,6.0 20338,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coronilla vaginalis,526304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla vaginalis'],6,0,6.0 20339,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coronilla viminalis,1010772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla viminalis'],6,0,6.0 20340,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus brachycarpus,3923915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus brachycarpus'],6,0,6.0 20341,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],6,0,6.0 20342,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20343,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coronilla varia,383451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Securigera'],['Securigera varia'],6,0,6.0 20344,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Securigera varia,383451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Securigera'],['Securigera varia'],6,0,6.0 20345,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Securigera securidaca,678506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Securigera'],['Securigera securidaca'],6,0,6.0 20346,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Melilotus messanensis,596048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus messanensis'],6,0,6.0 20347,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Melilotus siculus,596048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus messanensis'],6,0,6.0 20348,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Melilotus indicus,1072867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus indicus'],6,0,6.0 20349,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Astragalus onobrychis,340173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus onobrychis'],6,0,6.0 20350,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Caragana spinosa,232431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana spinosa'],6,0,6.0 20351,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Dipteryx odorata,908610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dipterygeae'],['Dipteryx'],['Dipteryx odorata'],6,0,6.0 20352,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,CJIJXIFQYOPWTF-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H",O=c1ccc2cc(O)ccc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,CJIJXIFQYOPWTF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Amburana cearensis,1053008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amburaneae'],['Amburana'],['Amburana cearensis'],6,0,6.0 20353,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,MJKVTPMWOKAVMS-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H",O=c1oc2ccccc2cc1O,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,MJKVTPMWOKAVMS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Melilotus messanensis,596048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus messanensis'],6,0,6.0 20354,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Butea monosperma,170163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Butea'],['Butea monosperma'],6,0,6.0 20355,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,FECOWIAOIRMVIE-IBGZPJMESA-N,"InChI=1S/C23H22O4/c1-5-23(2,3)19(20(24)15-9-7-6-8-10-15)21(25)17-11-12-18-16(13-14-27-18)22(17)26-4/h5-14,19H,1H2,2-4H3/t19-/m0/s1",C=CC(C)(C)[C@@H](C(=O)c1ccccc1)C(=O)c1ccc2occc2c1OC,C23H22O4,pos_2_2sodium,362.151809184,FECOWIAOIRMVIE,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Hebestigma cubense,1085819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Hebestigma'],['Hebestigma cubense'],6,0,6.0 20356,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],6,0,6.0 20357,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Caragana frutex,187482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana frutex'],6,0,6.0 20358,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen plicatum,3919781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen plicatum'],6,0,6.0 20359,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20360,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,O=c1ccc2cc3ccoc3cc2o1,C11H6O3,pos_1_1proton1ammonium,186.031694052,ZCCUUQDIBDJBTK,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20361,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,QVTNCCTYKIEOIS-QZTJIDSGSA-N,"InChI=1S/C18H12O6/c19-18-7-21-13-5-12-9(1-2-20-12)3-10(13)17(18)24-14-6-16-15(4-11(14)18)22-8-23-16/h1-6,17,19H,7-8H2/t17-,18-/m1/s1",O[C@@]12COc3cc4occc4cc3[C@H]1Oc1cc3c(cc12)OCO3,C18H12O6,pos_2_2proton2acetonitrile,324.063388104,QVTNCCTYKIEOIS,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia amboensis,3922100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia amboensis'],6,0,6.0 20362,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,QVTNCCTYKIEOIS-QZTJIDSGSA-N,"InChI=1S/C18H12O6/c19-18-7-21-13-5-12-9(1-2-20-12)3-10(13)17(18)24-14-6-16-15(4-11(14)18)22-8-23-16/h1-6,17,19H,7-8H2/t17-,18-/m1/s1",O[C@@]12COc3cc4occc4cc3[C@H]1Oc1cc3c(cc12)OCO3,C18H12O6,pos_2_2proton2acetonitrile,324.063388104,QVTNCCTYKIEOIS,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Neorautanenia mitis,324035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia mitis'],6,0,6.0 20363,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,WVJCRTSTRGRJJT-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H",O=c1ccoc2cc(O)ccc12,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,WVJCRTSTRGRJJT,Polyketides,Chromanes,Chromones,Dipteryx odorata,908610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dipterygeae'],['Dipteryx'],['Dipteryx odorata'],6,0,6.0 20364,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,VXIXUWQIVKSKSA-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H",O=c1cc(O)c2ccccc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,VXIXUWQIVKSKSA,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cullen drupaceum,3919784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen drupaceum'],6,0,6.0 20365,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coronilla glauca,253730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Coronilla'],['Coronilla valentina'],6,0,6.0 20366,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,FECOWIAOIRMVIE-IBGZPJMESA-N,"InChI=1S/C23H22O4/c1-5-23(2,3)19(20(24)15-9-7-6-8-10-15)21(25)17-11-12-18-16(13-14-27-18)22(17)26-4/h5-14,19H,1H2,2-4H3/t19-/m0/s1",C=CC(C)(C)[C@@H](C(=O)c1ccccc1)C(=O)c1ccc2occc2c1OC,C23H22O4,pos_2_2sodium,362.151809184,FECOWIAOIRMVIE,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lonchocarpus heptaphyllus,922295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus heptaphyllus'],6,0,6.0 20367,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Melilotus suaveolens,989938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus officinalis'],6,0,6.0 20368,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Melilotus albus,38042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Melilotus'],['Melilotus albus'],6,0,6.0 20369,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Onobrychis kemulariae,3922592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis kemulariae'],6,0,6.0 20370,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coronilla elegans,947372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Securigera'],['Securigera elegans'],6,0,6.0 20371,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cicer arietinum,612429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cicereae'],['Cicer'],['Cicer arietinum'],6,0,6.0 20372,591,967,Terpenoids,Small peptides,Aminoacids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Vicia sativa,1056096.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia sativa'],6,0,6.0 20373,589,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1sodium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Cornus kousa,22353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus kousa'],7,0,7.0 20374,584,-1,,,,0.0,MS1_match,BLAKLJDVFMLDKM-OBQZRBNSSA-N,"InChI=1S/C15H18O8/c16-8-4-1-7(2-5-8)3-6-9(17)23-15-13(21)11(19)10(18)12(20)14(15)22/h1-6,10-16,18-22H/b6-3+/t10-,11-,12+,13+,14-,15+",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_2MNa,326.100167536,BLAKLJDVFMLDKM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 20375,583,-1,,,,0.22383489,ISDB,ABSGILSFGPQVOT-VOTSOKGWSA-N,"InChI=1S/C17H12O3/c18-15(7-6-12-4-2-1-3-5-12)14-11-17-13(8-9-20-17)10-16(14)19/h1-11,19H/b7-6+",O=C(/C=C/c1ccccc1)c1cc2occc2cc1O,C17H12O3,,264.078644244,ABSGILSFGPQVOT,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia erythrocalyx,5147402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia erythrocalyx'],6,0,6.895339548587799 20376,582,-1,,,,0.0,MS1_match,ZOOGRGPOEVQQDX-UUOKFMHZSA-N,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,C10H12N5O7P,pos_2_2proton3acetonitrile,345.0474343539999,ZOOGRGPOEVQQDX,Alkaloids,,,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20377,582,-1,,,,0.0,MS1_match,ZOOGRGPOEVQQDX-UUOKFMHZSA-N,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,C10H12N5O7P,pos_2_2proton3acetonitrile,345.0474343539999,ZOOGRGPOEVQQDX,Alkaloids,,,Lathyrus oleraceus,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20378,582,-1,,,,0.0,MS1_match,ZOOGRGPOEVQQDX-UUOKFMHZSA-N,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,C10H12N5O7P,pos_2_2proton3acetonitrile,345.0474343539999,ZOOGRGPOEVQQDX,Alkaloids,,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20379,582,-1,,,,0.0,MS1_match,ZOOGRGPOEVQQDX-UUOKFMHZSA-N,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,C10H12N5O7P,pos_2_2proton3acetonitrile,345.0474343539999,ZOOGRGPOEVQQDX,Alkaloids,,,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20380,582,-1,,,,0.0,MS1_match,ZOOGRGPOEVQQDX-UUOKFMHZSA-N,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,C10H12N5O7P,pos_2_2proton3acetonitrile,345.0474343539999,ZOOGRGPOEVQQDX,Alkaloids,,,Lathyrus oleraceus,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20381,582,-1,,,,0.0,MS1_match,ZOOGRGPOEVQQDX-UUOKFMHZSA-N,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,C10H12N5O7P,pos_2_2proton3acetonitrile,345.0474343539999,ZOOGRGPOEVQQDX,Alkaloids,,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20382,580,1570,,,,0.0,MS1_match,JQVZYONXFQBJLS-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5-2-3-6(7)4-8-5/h5H,2-4H2,1H3",CC1CCC(=O)CO1,C6H10O2,pos_2MHCH3CN,114.06807956,JQVZYONXFQBJLS,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20383,580,1570,,,,0.0,MS1_match,CZEOXNDFAPPJHG-UHFFFAOYSA-N,"InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-4H2,1-2H3",CC1=C(C)OC(=O)CC1,C7H10O2,pos_2MHNH3,126.06807956,CZEOXNDFAPPJHG,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20384,578,-1,,,,0.0,MS1_match,YHRUHBBTQZKMEX-YFVJMOTDSA-N,"InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+",CC(C)=CCC/C(C)=C/CC/C(C)=C/C=O,C15H24O,pos_1_minus1proton1iron,220.182715388,YHRUHBBTQZKMEX,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Abies firma,648454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies firma'],6,0,6.0 20385,578,-1,,,,0.0,MS1_match,LMCRYOCEDDKMQA-RIENIYILSA-N,"InChI=1S/C15H24O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h5-6,9-13,16H,7-8H2,1-4H3/t10-,11+,12-,13?,14-,15-/m0/s1",CC(C)[C@H]1C=C[C@H](C)[C@]23CC[C@](C)(O)C2[C@H]13,C15H24O,pos_1_minus1proton1iron,220.182715388,LMCRYOCEDDKMQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Picea koraiensis,262757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea koraiensis'],6,0,6.0 20386,578,-1,,,,0.0,MS1_match,NVEQFIOZRFFVFW-CXTNEJHOSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m1/s1",C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_minus1proton1iron,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 20387,578,-1,,,,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_minus1proton1iron,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Abies cilicica,811585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies cilicica'],6,0,6.0 20388,578,-1,,,,0.0,MS1_match,CIIYOYPOMGIECX-MGPQQGTHSA-N,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14-/m1/s1",C=C1CC[C@@H]2[C@H](CC2(C)C)C(=C)CC[C@H]1O,C15H24O,pos_1_minus1proton1iron,220.182715388,CIIYOYPOMGIECX,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 20389,578,-1,,,,0.0,MS1_match,RKQDKXOBRXTSFS-QZFXXANLSA-N,"InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-",C/C1=C/CCC2(C)OC2CC(C)(C)/C=C\C1,C15H24O,pos_1_minus1proton1iron,220.182715388,RKQDKXOBRXTSFS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Abies sibirica,301374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies sibirica'],6,0,6.0 20390,578,-1,,,,0.0,MS1_match,QTGAEXCCAPTGLB-DZGCQCFKSA-N,"InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/t13-,15+/m0/s1",CC1=CCC(C)(C)C=CC[C@@]2(C)O[C@H]2CC1,C15H24O,pos_1_minus1proton1iron,220.182715388,QTGAEXCCAPTGLB,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Abies nordmanniana,876306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nordmanniana'],6,0,6.0 20391,570,2077,Alkaloids,Ornithine alkaloids,Polyamines,0.6202102,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],4,3,7.980840682983398 20392,570,2077,Alkaloids,Ornithine alkaloids,Polyamines,0.6202102,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Remusatia vivipara,1023103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Remusatia'],['Remusatia vivipara'],4,3,7.980840682983398 20393,570,2077,Alkaloids,Ornithine alkaloids,Polyamines,0.6202102,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.980840682983398 20394,570,2077,Alkaloids,Ornithine alkaloids,Polyamines,0.6202102,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,3,7.980840682983398 20395,570,2077,Alkaloids,Ornithine alkaloids,Polyamines,0.6202102,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.980840682983398 20396,570,2077,Alkaloids,Ornithine alkaloids,Polyamines,0.6202102,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.980840682983398 20397,569,-1,,,,0.6409465,ISDB,YLWQKYSDNGHLAO-PWRINDRCSA-N,"InChI=1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3/t8-,10+,12+,13+,14+,15+,16-,19-,20+,21-/m0/s1",COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](O)[C@@H]24,C21H26O10,,438.1525970319999,YLWQKYSDNGHLAO,Terpenoids,Triterpenoids,Quassinoids,Brucea javanica,841359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Brucea'],['Brucea javanica'],4,0,6.563786029815674 20398,567,-1,,,,0.0,MS1_match,SXKCFMYNSDVGSD-RTWAWAEBSA-N,"InChI=1S/C21H26O3/c1-22-18-11-6-16(7-12-18)8-13-20-4-3-5-21(24-20)17-9-14-19(23-2)15-10-17/h6-7,9-12,14-15,20-21H,3-5,8,13H2,1-2H3/t20-,21+/m1/s1",COc1ccc(CC[C@H]2CCC[C@@H](c3ccc(OC)cc3)O2)cc1,C21H26O3,pos_2_1magnesium,326.188194692,SXKCFMYNSDVGSD,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Centrolobium robustum,317072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Centrolobium'],['Centrolobium robustum'],6,0,6.0 20399,567,-1,,,,0.0,MS1_match,ZWGUMZQPAPPDMV-HMXCVIKNSA-N,"InChI=1S/C21H26O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]12,C21H26O3,pos_2_1magnesium,326.188194692,ZWGUMZQPAPPDMV,Terpenoids,Diterpenoids,Cassane diterpenoids,Hultholia mimosoides,3916163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Hultholia'],['Hultholia mimosoides'],6,0,6.0 20400,567,-1,,,,0.0,MS1_match,ZWGUMZQPAPPDMV-HMXCVIKNSA-N,"InChI=1S/C21H26O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]12,C21H26O3,pos_2_1magnesium,326.188194692,ZWGUMZQPAPPDMV,Terpenoids,Diterpenoids,Cassane diterpenoids,Moullava spicata,1048244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Moullava'],['Moullava spicata'],6,0,6.0 20401,567,-1,,,,0.0,MS1_match,ZWGUMZQPAPPDMV-NRSPTQNISA-N,"InChI=1S/C21H26O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20-,21+/m1/s1",COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]12,C21H26O3,pos_2_1magnesium,326.188194692,ZWGUMZQPAPPDMV,Terpenoids,Diterpenoids,Cassane diterpenoids,Mezoneuron benthamianum,3916145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Mezoneuron'],['Mezoneuron benthamianum'],6,0,6.0 20402,567,-1,,,,0.0,MS1_match,ZWGUMZQPAPPDMV-HMXCVIKNSA-N,"InChI=1S/C21H26O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20-,21-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]12,C21H26O3,pos_2_1magnesium,326.188194692,ZWGUMZQPAPPDMV,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,0,6.0 20403,567,-1,,,,0.0,MS1_match,ZOAMBXDOGPRZLP-UHFFFAOYSA-N,"InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)",NC(=O)Cc1c[nH]c2ccccc12,C10H10N2O,pos_1_1proton,174.07931294,ZOAMBXDOGPRZLP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20404,565,-1,,,,0.0,MS1_match,SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",O=C(OCc1ccccc1)c1ccccc1,C14H12O2,pos_2_2proton2acetonitrile,212.083729624,SESFRYSPDFLNCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Senegalia berlandieri,112136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia berlandieri'],6,0,6.0 20405,565,-1,,,,0.0,MS1_match,SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",O=C(OCc1ccccc1)c1ccccc1,C14H12O2,pos_2_2proton2acetonitrile,212.083729624,SESFRYSPDFLNCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Tephrosia sinapou,3920315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia sinapou'],6,0,6.0 20406,565,-1,,,,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_1proton1acetonitrile,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 20407,565,-1,,,,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_1proton1acetonitrile,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20408,565,-1,,,,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_1proton1acetonitrile,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Robinia pseudoacacia,928416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Robinia'],['Robinia pseudoacacia'],6,0,6.0 20409,565,-1,,,,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_1proton1acetonitrile,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 20410,565,-1,,,,0.0,MS1_match,HUMNYLRZRPPJDN-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,O=Cc1ccccc1,C7H6O,pos_1_1proton1acetonitrile,106.041864812,HUMNYLRZRPPJDN,Shikimates and Phenylpropanoids,,,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 20411,565,-1,,,,0.0,MS1_match,QVWDCTQRORVHHT-UHFFFAOYSA-N,InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H,O=c1cccccc1,C7H6O,pos_1_1proton1acetonitrile,106.041864812,QVWDCTQRORVHHT,Shikimates and Phenylpropanoids,,,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 20412,565,-1,,,,0.0,MS1_match,OJPNKYLDSDFUPG-UHFFFAOYSA-N,"InChI=1S/C7H6O/c1-6-2-4-7(8)5-3-6/h2-5H,1H2",C=C1C=CC(=O)C=C1,C7H6O,pos_1_1proton1acetonitrile,106.041864812,OJPNKYLDSDFUPG,,,,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20413,565,-1,,,,0.0,MS1_match,IVYPNXXAYMYVSP-UHFFFAOYSA-N,"InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2",OCc1c[nH]c2ccccc12,C9H9NO,pos_1_1proton,147.068413908,IVYPNXXAYMYVSP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Dalbergia,383449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Unknown'],6,0,6.0 20414,564,-1,,,,0.0,MS1_match,OLNJUISKUQQNIM-UHFFFAOYSA-N,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",O=Cc1c[nH]c2ccccc12,C9H7NO,pos_1_1proton,145.052763844,OLNJUISKUQQNIM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20415,564,-1,,,,0.0,MS1_match,OLNJUISKUQQNIM-UHFFFAOYSA-N,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",O=Cc1c[nH]c2ccccc12,C9H7NO,pos_1_1proton,145.052763844,OLNJUISKUQQNIM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Derris ovalifolia,583850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris ovalifolia'],6,0,6.0 20416,563,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,XHQZJYCNDZAGLW-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)",COc1cccc(C(=O)O)c1,C8H8O3,pos_1_1proton1acetonitrile,152.047344116,XHQZJYCNDZAGLW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 20417,563,145,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,ILUJQPXNXACGAN-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)",COc1ccccc1C(=O)O,C8H8O3,pos_1_1proton1acetonitrile,152.047344116,ILUJQPXNXACGAN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,3,9.5 20418,562,-1,,,,0.6852275,ISDB,GUCPYIYFQVTFSI-UHFFFAOYSA-N,"InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)",COc1ccc(C(N)=O)cc1,C8H9NO2,,151.063328528,GUCPYIYFQVTFSI,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Naravelia zeylanica,274607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Naravelia'],['Naravelia zeylanica'],4,0,6.740910053253174 20419,561,1883,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.62581384,ISDB,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],7,3,11.003255367279053 20420,561,1883,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.62581384,ISDB,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia crassipes,235693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia crassipes'],7,3,11.003255367279053 20421,560,-1,,,,0.0,MS1_match,OGGMJUADVUDJGQ-LZCSMOCGSA-N,"InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3/t19-,22+,23+,24+,25-,27-,28-/m0/s1",CN[C@H]1CC=C2C=C3CC[C@@]4(C)[C@@H]([C@H](C)N=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C,C28H46N2,pos_2_1magnesium,410.366099472,OGGMJUADVUDJGQ,Terpenoids,Triterpenoids,,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20422,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,MPFACQITBMQUJJ-UHFFFAOYSA-N,"InChI=1S/C23H30O7/c1-12(24)29-18-11-19(30-13(2)25)22(5)16-10-17-15(7-9-28-17)20(26)14(16)6-8-23(22,27)21(18,3)4/h7,9,14,16,18-19,27H,6,8,10-11H2,1-5H3",CC(=O)OC1CC(OC(C)=O)C2(C)C3Cc4occc4C(=O)C3CCC2(O)C1(C)C,C23H30O7,pos_1_minus1proton1magnesium,418.1991533,MPFACQITBMQUJJ,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,7.5 20423,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,MPFACQITBMQUJJ-UHFFFAOYSA-N,"InChI=1S/C23H30O7/c1-12(24)29-18-11-19(30-13(2)25)22(5)16-10-17-15(7-9-28-17)20(26)14(16)6-8-23(22,27)21(18,3)4/h7,9,14,16,18-19,27H,6,8,10-11H2,1-5H3",CC(=O)OC1CC(OC(C)=O)C2(C)C3Cc4occc4C(=O)C3CCC2(O)C1(C)C,C23H30O7,pos_1_minus1proton1magnesium,418.1991533,MPFACQITBMQUJJ,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],6,3,7.5 20424,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,FGVVZVPAVGZHMX-SHLUOHGRSA-N,"InChI=1S/C23H30O7/c1-12(24)30-18-10-14-15(11-16-13(7-9-29-16)19(14)20(26)28-5)22(4)17(25)6-8-21(2,3)23(18,22)27/h7,9,14-15,18-19,27H,6,8,10-11H2,1-5H3/t14-,15+,18+,19-,22+,23-/m1/s1",COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CCC(=O)[C@]21C,C23H30O7,pos_1_minus1proton1magnesium,418.1991532999999,FGVVZVPAVGZHMX,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,7.5 20425,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,FGVVZVPAVGZHMX-SHLUOHGRSA-N,"InChI=1S/C23H30O7/c1-12(24)30-18-10-14-15(11-16-13(7-9-29-16)19(14)20(26)28-5)22(4)17(25)6-8-21(2,3)23(18,22)27/h7,9,14-15,18-19,27H,6,8,10-11H2,1-5H3/t14-,15+,18+,19-,22+,23-/m1/s1",COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CCC(=O)[C@]21C,C23H30O7,pos_1_minus1proton1magnesium,418.1991532999999,FGVVZVPAVGZHMX,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],6,3,7.5 20426,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,KWOVIFZNTAPYCQ-UHFFFAOYSA-N,"InChI=1S/C23H30O7/c1-12-15-7-8-23(28)21(4,5)10-19(29-13(2)25)20(30-14(3)26)22(23,6)17(15)9-18(27)16(12)11-24/h9,11,19-20,27-28H,7-8,10H2,1-6H3",CC(=O)OC1CC(C)(C)C2(O)CCc3c(cc(O)c(C=O)c3C)C2(C)C1OC(C)=O,C23H30O7,pos_1_minus1proton1magnesium,418.1991533,KWOVIFZNTAPYCQ,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,7.5 20427,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,SOBRISMVUYEESV-UHFFFAOYSA-N,"InChI=1S/C23H30O7/c1-12(24)29-18-11-21(3,4)23(27)8-6-14-16(22(23,5)20(18)30-13(2)25)10-17-15(19(14)26)7-9-28-17/h7,9,14,16,18,20,27H,6,8,10-11H2,1-5H3",CC(=O)OC1CC(C)(C)C2(O)CCC3C(=O)c4ccoc4CC3C2(C)C1OC(C)=O,C23H30O7,pos_1_minus1proton1magnesium,418.1991533,SOBRISMVUYEESV,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,7.5 20428,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,SOBRISMVUYEESV-UHFFFAOYSA-N,"InChI=1S/C23H30O7/c1-12(24)29-18-11-21(3,4)23(27)8-6-14-16(22(23,5)20(18)30-13(2)25)10-17-15(19(14)26)7-9-28-17/h7,9,14,16,18,20,27H,6,8,10-11H2,1-5H3",CC(=O)OC1CC(C)(C)C2(O)CCC3C(=O)c4ccoc4CC3C2(C)C1OC(C)=O,C23H30O7,pos_1_minus1proton1magnesium,418.1991533,SOBRISMVUYEESV,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],6,3,7.5 20429,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,ZHPKGQYOROKIGK-DWQJTFDBSA-N,"InChI=1S/C23H30O7/c1-12-15-7-8-23(28)21(4,5)19(29-13(2)25)10-20(30-14(3)26)22(23,6)17(15)9-18(27)16(12)11-24/h9,11,19-20,27-28H,7-8,10H2,1-6H3/t19-,20+,22+,23-/m1/s1",CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc(O)c(C=O)c3C)[C@@]12C,C23H30O7,pos_1_minus1proton1magnesium,418.1991533,ZHPKGQYOROKIGK,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,7.5 20430,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,QAALIIFRYQDFRU-IYRWYFENSA-N,"InChI=1S/C23H30O7/c1-12-15(11-24)9-17(27)20-16(12)7-8-23(28)21(4,5)18(29-13(2)25)10-19(22(20,23)6)30-14(3)26/h9,11,18-19,27-28H,7-8,10H2,1-6H3/t18-,19+,22-,23-/m1/s1",CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(C)c(C=O)cc(O)c3[C@@]12C,C23H30O7,pos_1_minus1proton1magnesium,418.1991533,QAALIIFRYQDFRU,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,7.5 20431,558,912,Terpenoids,Diterpenoids,Cassane diterpenoids,0.0,MS1_match,RZUPNWIKIOESCU-GILHYWDNSA-N,"InChI=1S/C23H30O7/c1-12-14-5-6-18-22(3,21(27)28-4)19(30-13(2)24)7-9-23(18,20(25)26)16(14)11-17-15(12)8-10-29-17/h8,10,12,14,16,18-19H,5-7,9,11H2,1-4H3,(H,25,26)/t12-,14+,16+,18+,19+,22-,23+/m1/s1",COC(=O)[C@@]1(C)[C@@H](OC(C)=O)CC[C@]2(C(=O)O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12,C23H30O7,pos_1_minus1proton1magnesium,418.1991532999999,RZUPNWIKIOESCU,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,7.5 20432,557,-1,,,,0.66722715,ISDB,IXOBWMNTICTXOJ-UHFFFAOYSA-N,"InChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)",N#CCC1(O)C(=O)Nc2ccccc21,C10H8N2O2,,188.058577496,IXOBWMNTICTXOJ,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,0,6.668908596038818 20433,557,-1,,,,0.66722715,ISDB,IXOBWMNTICTXOJ-UHFFFAOYSA-N,"InChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)",N#CCC1(O)C(=O)Nc2ccccc21,C10H8N2O2,,188.058577496,IXOBWMNTICTXOJ,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Brassica oleracea var. capitata,833629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,0,6.668908596038818 20434,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Arbutus unedo,100947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Unknown'],['Arbutus'],['Arbutus unedo'],0,0,3.082547426223755 20435,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Mycoacia fuscoatra,116757.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Meruliaceae'],['Unknown'],['Mycoacia'],['Mycoacia fuscoatra'],0,0,3.082547426223755 20436,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pistacia weinmannifolia,1010714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pistacia'],['Pistacia weinmaniifolia'],0,0,3.082547426223755 20437,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Erodium cicutarium,431177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Erodium'],['Erodium cicutarium'],0,0,3.082547426223755 20438,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],0,0,3.082547426223755 20439,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Castanopsis sieboldii,853655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis sieboldii'],0,0,3.082547426223755 20440,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Castanopsis cuspidata,448681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis cuspidata'],0,0,3.082547426223755 20441,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],0,0,3.082547426223755 20442,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],0,0,3.082547426223755 20443,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-UHFFFAOYSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)",O=C(O)C1=CC(O)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.063782028,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],0,0,3.082547426223755 20444,540,-1,,,,0.77063686,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Quercus mongolica,429751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus mongolica'],0,0,3.082547426223755 20445,537,967,Terpenoids,Small peptides,Aminoacids,0.5857116,ISDB,LDCYZAJDBXYCGN-UHFFFAOYSA-N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,C11H12N2O3,,220.084792244,LDCYZAJDBXYCGN,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,7.842846393585205 20446,536,-1,,,,0.0,MS1_match,QILSEMOPVAZWLY-DSJRXEMUSA-N,"InChI=1S/C28H46N2O/c1-19(29(5)6)22-13-15-28(4)24-10-9-23-20(16-21(24)12-14-27(22,28)3)8-11-25-26(23,2)17-31-18-30(25)7/h12,16,19,22-25H,8-11,13-15,17-18H2,1-7H3/t19-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C)N(C)C,C28H46N2O,pos_2_1magnesium,426.361014092,QILSEMOPVAZWLY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20447,536,-1,,,,0.0,MS1_match,OJABFNKICCPMPG-APAUBBSSSA-N,"InChI=1S/C28H46N2O/c1-18(29-19(2)31)22-14-16-28(6)24-11-10-23-20(17-21(24)13-15-27(22,28)5)9-12-25(30(7)8)26(23,3)4/h13,17-18,22-25H,9-12,14-16H2,1-8H3,(H,29,31)/t18-,22+,23+,24+,25-,27+,28-/m0/s1",CC(=O)N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C28H46N2O,pos_2_1magnesium,426.361014092,OJABFNKICCPMPG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20448,532,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5711329,ISDB,GPDXFYPVHRESMA-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)cc1O,C7H6O5,,170.021523292,GPDXFYPVHRESMA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Ficus glumosa,795590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Ficus'],['Ficus glumosa'],0,3,3.784531593322754 20449,531,-1,,,,0.0,MS1_match,LMCRYOCEDDKMQA-RIENIYILSA-N,"InChI=1S/C15H24O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h5-6,9-13,16H,7-8H2,1-4H3/t10-,11+,12-,13?,14-,15-/m0/s1",CC(C)[C@H]1C=C[C@H](C)[C@]23CC[C@](C)(O)C2[C@H]13,C15H24O,pos_1_minus1proton1iron,220.182715388,LMCRYOCEDDKMQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 20450,531,-1,,,,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_minus1proton1iron,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Pinus merkusii,837877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus merkusii'],6,0,6.0 20451,531,-1,,,,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_minus1proton1iron,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Pinus massoniana,714296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus massoniana'],6,0,6.0 20452,531,-1,,,,0.0,MS1_match,NVEQFIOZRFFVFW-CXTNEJHOSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m1/s1",C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_minus1proton1iron,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 20453,526,375,,,,0.22164601,ISDB,,,,,,,RZEQJINQXOBMCE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8865840435028076 20454,523,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,KMAKOBLIOCQGJP-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",O=C(O)c1c[nH]c2ccccc12,C9H7NO2,pos_1_1proton,161.047678464,KMAKOBLIOCQGJP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Bauhinia tarapotensis,3916404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia tarapotensis'],7,0,7.0 20455,522,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.4910331,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Betula platyphylla var. japonica,46579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],6,3,9.46413242816925 20456,522,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.4910331,ISDB,CXQWRCVTCMQVQX-LSDHHAIUSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O,C15H12O7,,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Abies nephrolepis,876311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies nephrolepis'],6,3,9.46413242816925 20457,516,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.48283485,ISDB,ZEACOKJOQLAYTD-UHFFFAOYSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2O,C15H14O8,,322.068867408,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Terminalia alata,5516278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Terminalia'],['Terminalia alata'],4,2,6.931339383125305 20458,516,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.48283485,ISDB,ZEACOKJOQLAYTD-ILXRZTDVSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O,C15H14O8,,322.0688674079999,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],4,2,6.931339383125305 20459,516,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.48283485,ISDB,ZEACOKJOQLAYTD-ZNMIVQPWSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15-/m0/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2O,C15H14O8,,322.068867408,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Gentiana lutea,346679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Gentiana'],['Gentiana lutea'],4,2,6.931339383125305 20460,516,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.48283485,ISDB,ZEACOKJOQLAYTD-ILXRZTDVSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O,C15H14O8,,322.0688674079999,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Koenigia coriaria,439753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Persicarieae'],['Koenigia'],['Koenigia coriaria'],4,2,6.931339383125305 20461,516,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.48283485,ISDB,ZEACOKJOQLAYTD-ILXRZTDVSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O,C15H14O8,,322.0688674079999,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Alhagi pseudalhagi,809997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi maurorum'],4,2,6.931339383125305 20462,516,187,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,0.48283485,ISDB,ZEACOKJOQLAYTD-ILXRZTDVSA-N,"InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14+,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O,C15H14O8,,322.0688674079999,ZEACOKJOQLAYTD,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Alhagi maurorum,809997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Alhagi'],['Alhagi maurorum'],4,2,6.931339383125305 20463,511,1115,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7143784,ISDB,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Betula fruticosa,567485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula fruticosa'],6,3,10.357513666152954 20464,511,1115,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7143784,ISDB,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus,424333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Unknown'],6,3,10.357513666152954 20465,511,1115,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7143784,ISDB,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],6,3,10.357513666152954 20466,508,834,Amino acids and Peptides,Small peptides,Tripeptides,0.74417377,ISDB,HKBNQXMLSMKLJV-BQBZGAKWSA-N,"InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)C(=O)O,C11H19N3O6S,,321.099456328,HKBNQXMLSMKLJV,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],3,2,6.9766950607299805 20467,508,834,Amino acids and Peptides,Small peptides,Tripeptides,0.74417377,ISDB,HKBNQXMLSMKLJV-BQBZGAKWSA-N,"InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)C(=O)O,C11H19N3O6S,,321.099456328,HKBNQXMLSMKLJV,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],3,2,6.9766950607299805 20468,508,834,Amino acids and Peptides,Small peptides,Tripeptides,0.74417377,ISDB,HKBNQXMLSMKLJV-BQBZGAKWSA-N,"InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)C(=O)O,C11H19N3O6S,,321.099456328,HKBNQXMLSMKLJV,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus coccineus,1060490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus coccineus'],3,2,6.9766950607299805 20469,507,167,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.0,MS1_match,MNKQAVLCMUQMSD-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,C30H26O14,pos_1_1proton,610.132255512,MNKQAVLCMUQMSD,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Pinus uncinata,516531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,2,8.0 20470,505,2178,Alkaloids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",CNC[C@H](O)c1ccc(O)c(O)c1,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,UCTWMZQNUQWSLP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crataegus monogyna,653070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus monogyna'],7,3,8.5 20471,505,2178,Alkaloids,Tyrosine alkaloids,Phenylethylamines,0.0,MS1_match,UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",CNC[C@H](O)c1ccc(O)c(O)c1,C9H13NO3,pos_1_1proton1ethylamine,183.089543276,UCTWMZQNUQWSLP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Crataegus oxyacantha,547115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Crataegus laevigata'],7,3,8.5 20472,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum tamala,212562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tamala'],6,0,9.508124589920044 20473,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum kotoense,5919653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum kotoense'],6,0,9.508124589920044 20474,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Damburneya cufodontisii,6026959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Damburneya'],['Damburneya cufodontisii'],6,0,9.508124589920044 20475,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Litsea rubescens,339331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea rubescens'],6,0,9.508124589920044 20476,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Litsea pedunculata,5699416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea pedunculata'],6,0,9.508124589920044 20477,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nectandra gardneri,5699189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra gardneri'],6,0,9.508124589920044 20478,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Aiouea tonduzii,6025853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aiouea'],['Aiouea tonduzii'],6,0,9.508124589920044 20479,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,0,9.508124589920044 20480,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum philippinense,430716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum philippinense'],6,0,9.508124589920044 20481,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lindera glauca,157205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera glauca'],6,0,9.508124589920044 20482,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Ocotea holdridgeiana,6027302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea holdridgeiana'],6,0,9.508124589920044 20483,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Machilus thunbergii,245023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus thunbergii'],6,0,9.508124589920044 20484,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cryptocarya alba,634467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya alba'],6,0,9.508124589920044 20485,503,-1,,,,0.87703115,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,9.508124589920044 20486,502,-1,,,,0.0,MS1_match,MGIQTXDHQJGPEZ-WUXMJOGZSA-N,"InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+",C=C1CC/C=C(/CO)CCC2C1CC2(C)C,C15H24O,pos_1_minus1proton1iron,220.182715388,MGIQTXDHQJGPEZ,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 20487,502,-1,,,,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_minus1proton1iron,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 20488,502,-1,,,,0.0,MS1_match,NONDJOZVZVTVHD-POHAHGRESA-N,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h6,12-14,16H,2,5,7-9H2,1,3-4H3/b10-6-",C=C1CCC2C(CC2(C)C)/C(C)=C\CC1O,C15H24O,pos_1_minus1proton1iron,220.182715388,NONDJOZVZVTVHD,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 20489,502,-1,,,,0.0,MS1_match,CIIYOYPOMGIECX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3",C=C1CCC2C(CC2(C)C)C(=C)CCC1O,C15H24O,pos_1_minus1proton1iron,220.182715388,CIIYOYPOMGIECX,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 20490,502,-1,,,,0.0,MS1_match,QTGAEXCCAPTGLB-DZGCQCFKSA-N,"InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/t13-,15+/m0/s1",CC1=CCC(C)(C)C=CC[C@@]2(C)O[C@H]2CC1,C15H24O,pos_1_minus1proton1iron,220.182715388,QTGAEXCCAPTGLB,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 20491,502,-1,,,,0.0,MS1_match,KPNGOCXLTVWHAC-GETKEXHGSA-N,"InChI=1S/C15H24O/c1-12-6-5-8-15(3,4)9-7-13(2)11-14(16)10-12/h5,7-8,10,14,16H,6,9,11H2,1-4H3/b8-5+,12-10+,13-7+/t14-/m0/s1",C/C1=C\[C@H](O)C/C(C)=C/CC(C)(C)/C=C/C1,C15H24O,pos_1_minus1proton1iron,220.182715388,KPNGOCXLTVWHAC,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Betula pendula,267719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pendula'],8,0,8.0 20492,499,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20493,499,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,RQOWLXQAJIAZMF-CXQFPWCTSA-N,"InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,RQOWLXQAJIAZMF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20494,499,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,3,8.5 20495,499,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-BEJOYRPXSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1",O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@@H]1O,C27H22O18,pos_1_1proton1ammonium,634.080613864,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20496,499,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-UHFFFAOYSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2",O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O,C27H22O18,pos_1_1proton1ammonium,634.0806138640002,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus controversa,414754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus controversa'],7,3,8.5 20497,499,1571,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XKVYZLLWKHGKMT-BEJOYRPXSA-N,"InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1",O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@@H]1O,C27H22O18,pos_1_1proton1ammonium,634.080613864,XKVYZLLWKHGKMT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,3,8.5 20498,497,2087,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.0,MS1_match,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,pos_2MFe,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii,1080548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,3,7.5 20499,497,2087,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.0,MS1_match,OQFCDULGZUFMNS-GNZFURHMSA-N,"InChI=1S/C14H22/c1-6-12-8-9-14(5,7-2)13(10-12)11(3)4/h6-7,13H,2-3,8-10H2,1,4-5H3/b12-6+/t13-,14+/m0/s1",C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C,C14H22,pos_2MFe,190.172150704,OQFCDULGZUFMNS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Larix gmelinii var. gmelinii,63009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix gmelinii'],6,3,7.5 20500,494,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,AAWZDTNXLSGCEK-LNVDRNJUSA-N,"InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1",O=C(O)C1(O)C[C@@H](O)C(O)[C@H](O)C1,C7H12O6,pos_1_1proton1isopropanol,192.063388104,AAWZDTNXLSGCEK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Betula pubescens,456846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula pubescens'],7,0,7.0 20501,489,-1,,,,0.35059458,ISDB,RAIGVWDYSNRRDG-UHFFFAOYSA-N,"InChI=1S/C18H10O8/c19-10-6-12-8(1-3-15(21)24-12)5-14(10)26-18-9-2-4-16(22)25-13(9)7-11(20)17(18)23/h1-7,19-20,23H",O=c1ccc2cc(Oc3c(O)c(O)cc4oc(=O)ccc34)c(O)cc2o1,C18H10O8,,354.03756728,RAIGVWDYSNRRDG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Viola yedoensis,382889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Violaceae'],['Unknown'],['Viola'],['Viola philippica'],4,0,5.40237832069397 20502,489,-1,,,,0.35059458,ISDB,RAIGVWDYSNRRDG-UHFFFAOYSA-N,"InChI=1S/C18H10O8/c19-10-6-12-8(1-3-15(21)24-12)5-14(10)26-18-9-2-4-16(22)25-13(9)7-11(20)17(18)23/h1-7,19-20,23H",O=c1ccc2cc(Oc3c(O)c(O)cc4oc(=O)ccc34)c(O)cc2o1,C18H10O8,,354.03756728,RAIGVWDYSNRRDG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Viola philippica,382889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Violaceae'],['Unknown'],['Viola'],['Viola philippica'],4,0,5.40237832069397 20503,483,-1,,,,0.0,MS1_match,XPFVYQJUAUNWIW-UHFFFAOYSA-N,"InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",OCc1ccco1,C5H6O2,pos_1_1proton1methanol,98.036779432,XPFVYQJUAUNWIW,Polyketides,Cyclic polyketides,Furans,Cornus officinalis,505084.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Cornus'],['Cornus officinalis'],7,0,7.0 20504,482,307,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ANMHTSXDCQBWAR-DCXXXQMHSA-N,"InChI=1S/C21H28O/c1-2-3-4-5-6-7-10-16-17-12-13-22-19-11-8-9-15-14-18(16)21(17)20(15)19/h8-9,11-13,16-18,21H,2-7,10,14H2,1H3/t16-,17-,18+,21-/m1/s1",CCCCCCCC[C@@H]1[C@H]2C=COc3cccc4c3[C@H]2[C@H]1C4,C21H28O,pos_2_1iron,296.214015516,ANMHTSXDCQBWAR,,,,Beilschmiedia anacardioides,6025398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia anacardioides'],6,0,6.0 20505,470,-1,,,,0.0,MS1_match,KZSNJWFQEVHDMF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)",CC(C)C(N)C(=O)O,C5H11NO2,pos_2MCa,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 20506,470,-1,,,,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MCa,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Hedera helix,524074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera helix'],6,0,6.0 20507,470,-1,,,,0.0,MS1_match,KWIUHFFTVRNATP-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",C[N+](C)(C)CC(=O)[O-],C5H11NO2,pos_2MCa,117.078978592,KWIUHFFTVRNATP,Amino acids and Peptides,Small peptides,Aminoacids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 20508,466,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.7290548,ISDB,HBEDSQVIWPRPAY-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",c1ccc2c(c1)CCO2,C8H8O,,120.057514876,HBEDSQVIWPRPAY,Shikimates and Phenylpropanoids,Isoflavonoids,,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,2,7.916219234466553 20509,466,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.7290548,ISDB,HBEDSQVIWPRPAY-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",c1ccc2c(c1)CCO2,C8H8O,,120.057514876,HBEDSQVIWPRPAY,Shikimates and Phenylpropanoids,Isoflavonoids,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,2,7.916219234466553 20510,466,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.7290548,ISDB,HBEDSQVIWPRPAY-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",c1ccc2c(c1)CCO2,C8H8O,,120.057514876,HBEDSQVIWPRPAY,Shikimates and Phenylpropanoids,Isoflavonoids,,Phyla nodiflora,668292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Phyla'],['Phyla nodiflora'],4,2,7.916219234466553 20511,466,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.7290548,ISDB,HBEDSQVIWPRPAY-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",c1ccc2c(c1)CCO2,C8H8O,,120.057514876,HBEDSQVIWPRPAY,Shikimates and Phenylpropanoids,Isoflavonoids,,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],4,2,7.916219234466553 20512,466,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.7290548,ISDB,HBEDSQVIWPRPAY-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",c1ccc2c(c1)CCO2,C8H8O,,120.057514876,HBEDSQVIWPRPAY,Shikimates and Phenylpropanoids,Isoflavonoids,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,2,7.916219234466553 20513,461,1570,,,,0.0,MS1_match,JQVZYONXFQBJLS-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5-2-3-6(7)4-8-5/h5H,2-4H2,1H3",CC1CCC(=O)CO1,C6H10O2,pos_2MHCH3CN,114.06807956,JQVZYONXFQBJLS,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20514,461,1570,,,,0.0,MS1_match,CZEOXNDFAPPJHG-UHFFFAOYSA-N,"InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-4H2,1-2H3",CC1=C(C)OC(=O)CC1,C7H10O2,pos_2MHNH3,126.06807956,CZEOXNDFAPPJHG,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20515,459,1293,Terpenoids,Diterpenoids,pteridine alkaloids,0.0,MS1_match,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,pos_1_1proton1ammonium,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 20516,458,1883,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6562,ISDB,NITWSHWHQAQBAW-QPJJXVBHSA-N,"InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+",COC(=O)/C=C/c1ccc(O)cc1,C10H10O3,,178.06299418,NITWSHWHQAQBAW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aralia bipinnata,553970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Aralia'],['Aralia bipinnata'],6,3,10.124799966812134 20517,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Gymnocalycium quehlianum,433758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium quehlianum'],4,0,6.574410676956177 20518,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lophophora williamsii,543120.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Cacteae'],['Lophophora'],['Lophophora williamsii'],4,0,6.574410676956177 20519,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Vachellia rigidula,671629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia rigidula'],4,0,6.574410676956177 20520,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Gymnocalycium chubutense,13122.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium chubutense'],4,0,6.574410676956177 20521,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Gymnocalycium uebelmannianum,383092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium uebelmannianum'],4,0,6.574410676956177 20522,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Gymnocalycium marsoneri,830706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium marsoneri'],4,0,6.574410676956177 20523,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Gymnocalycium oenanthemum,1010357.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium oenanthemum'],4,0,6.574410676956177 20524,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Gymnocalycium stellatum,959276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium stellatum'],4,0,6.574410676956177 20525,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Senegalia berlandieri,112136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Senegalia'],['Senegalia berlandieri'],4,0,6.574410676956177 20526,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Gymnocalycium monvillei,484178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium monvillei'],4,0,6.574410676956177 20527,456,-1,,,,0.64360267,ISDB,DVQVXTPSJBCBJI-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3",COc1cc2c(c(O)c1OC)CNCC2,C11H15NO3,,209.10519334,DVQVXTPSJBCBJI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Gymnocalycium gibbosum,951372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Trichocereeae'],['Gymnocalycium'],['Gymnocalycium gibbosum'],4,0,6.574410676956177 20528,455,2,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZTPHVEHVTWLHEI-UHFFFAOYSA-N,"InChI=1S/C12H14O3/c1-4-5-9-6-10(8(2)13)12(14)11(7-9)15-3/h4,6-7,14H,1,5H2,2-3H3",C=CCc1cc(OC)c(O)c(C(C)=O)c1,C12H14O3,pos_1_1proton1ammonium,206.094294308,ZTPHVEHVTWLHEI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,3,8.5 20529,453,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6705246,ISDB,SFSJZXMDTNDWIX-UHFFFAOYSA-N,"InChI=1S/C6H13NO2S/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",CSCCCC(N)C(=O)O,C6H13NO2S,,163.066699656,SFSJZXMDTNDWIX,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.182098388671875 20530,444,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.50903535,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Neviusia alabamensis,782153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Neviusia'],['Neviusia alabamensis'],5,3,8.536141395568848 20531,444,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.50903535,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda serratifolia,717971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda serratifolia'],5,3,8.536141395568848 20532,444,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.50903535,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prinsepia uniflora,156920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia uniflora'],5,3,8.536141395568848 20533,444,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.50903535,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],5,3,8.536141395568848 20534,444,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.50903535,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Kerria japonica,432505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Kerria'],['Kerria japonica'],5,3,8.536141395568848 20535,444,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.50903535,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Rhodotypos scandens,156934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Rhodotypos'],['Rhodotypos scandens'],5,3,8.536141395568848 20536,444,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.50903535,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],5,3,8.536141395568848 20537,442,-1,,,,0.0,MS1_match,GOPBSOBZHJQEJA-LAXBZTGHSA-N,"InChI=1S/C24H36O16/c25-5-9-3-1-2-4-11(9)37-24-21(40-23-20(34)17(31)15(29)12(6-26)38-23)18(32)16(30)13(39-24)8-36-22-19(33)14(28)10(27)7-35-22/h1-4,10,12-34H,5-8H2/t10-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-/m1/s1",OCc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C24H36O16,pos_2_2sodium,580.200335072,GOPBSOBZHJQEJA,,,,Alangium chinense,899878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Cornaceae'],['Unknown'],['Alangium'],['Alangium chinense'],6,0,6.0 20538,441,-1,,,,0.74372363,ISDB,UNYNVICDCJHOPO-UHFFFAOYSA-N,"InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3",CC1=C(O)C(=O)OC1C,C6H8O3,,128.047344116,UNYNVICDCJHOPO,,,,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],4,0,6.9748945236206055 20539,441,-1,,,,0.74372363,ISDB,UNYNVICDCJHOPO-SCSAIBSYSA-N,"InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3/t4-/m1/s1",CC1=C(O)C(=O)O[C@@H]1C,C6H8O3,,128.047344116,UNYNVICDCJHOPO,,,,Quararibea funebris,5762173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Quararibea'],['Quararibea funebris'],4,0,6.9748945236206055 20540,441,-1,,,,0.74372363,ISDB,UNYNVICDCJHOPO-SCSAIBSYSA-N,"InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3/t4-/m1/s1",CC1=C(O)C(=O)O[C@@H]1C,C6H8O3,,128.047344116,UNYNVICDCJHOPO,,,,Mallotus peltatus,188269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus peltatus'],4,0,6.9748945236206055 20541,441,-1,,,,0.74372363,ISDB,UNYNVICDCJHOPO-UHFFFAOYSA-N,"InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3",CC1=C(O)C(=O)OC1C,C6H8O3,,128.047344116,UNYNVICDCJHOPO,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,6.9748945236206055 20542,440,-1,,,,0.63367134,ISDB,ATIPDCIQTUXABX-UWVGGRQHSA-N,"InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O,C12H25N3O3,,259.18959166,ATIPDCIQTUXABX,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,0,6.534685373306274 20543,440,-1,,,,0.63367134,ISDB,ATIPDCIQTUXABX-UWVGGRQHSA-N,"InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O,C12H25N3O3,,259.18959166,ATIPDCIQTUXABX,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,6.534685373306274 20544,437,-1,,,,0.2361104,ISDB,,,,,,,HWPABGZEQSSGQL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9444416165351868 20545,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-HDOXWXFPSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8?,9?,11-,14+/m0/s1",O=C(OC1C[C@@](O)(C(=O)O)CC(O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.0743467119999,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Geranium thunbergii,387579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Geranium'],['Geranium thunbergii'],4,3,8.267240524291992 20546,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Quercus salicina,429778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus salicina'],4,3,8.267240524291992 20547,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Ribes uva-crispa,163280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes uva-crispa'],4,3,8.267240524291992 20548,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Fragaria,208027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Potentilleae'],['Fragaria'],['Unknown'],4,3,8.267240524291992 20549,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Vaccinium corymbosum,567253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Vaccinieae'],['Vaccinium'],['Vaccinium corymbosum'],4,3,8.267240524291992 20550,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Rubus,972648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Unknown'],4,3,8.267240524291992 20551,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],4,3,8.267240524291992 20552,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],4,3,8.267240524291992 20553,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Arbutus unedo,100947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Unknown'],['Arbutus'],['Arbutus unedo'],4,3,8.267240524291992 20554,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Quercus myrsinaefolia,165073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus myrsinifolia'],4,3,8.267240524291992 20555,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],4,3,8.267240524291992 20556,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-UHFFFAOYSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)",O=C(OC1CC(O)(C(=O)O)CC(O)C1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Quercus aliena,429770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus aliena'],4,3,8.267240524291992 20557,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-AOGLXQGOSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11+,14-/m1/s1",O=C(O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Castanopsis fissa,651161.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanopsis'],['Castanopsis fissa'],4,3,8.267240524291992 20558,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,3,8.267240524291992 20559,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-UHFFFAOYSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)",O=C(OC1CC(O)(C(=O)O)CC(O)C1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],4,3,8.267240524291992 20560,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Camellia taliensis,837821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia taliensis'],4,3,8.267240524291992 20561,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Camellia irrawadiensis,928018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia irrawadiensis'],4,3,8.267240524291992 20562,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-HDOXWXFPSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8?,9?,11-,14+/m0/s1",O=C(OC1C[C@@](O)(C(=O)O)CC(O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.0743467119999,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Guiera senegalensis,140222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Combretaceae'],['Unknown'],['Guiera'],['Guiera senegalensis'],4,3,8.267240524291992 20563,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Camellia,1058508.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Unknown'],4,3,8.267240524291992 20564,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-UHFFFAOYSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)",O=C(OC1CC(O)(C(=O)O)CC(O)C1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Eriogonum umbellatum,114244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Eriogoneae'],['Eriogonum'],['Eriogonum umbellatum'],4,3,8.267240524291992 20565,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Paeonia lactiflora,352877.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia lactiflora'],4,3,8.267240524291992 20566,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-HDOXWXFPSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8?,9?,11-,14+/m0/s1",O=C(OC1C[C@@](O)(C(=O)O)CC(O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.0743467119999,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Pistacia lentiscus,565880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Pistacia'],['Pistacia lentiscus'],4,3,8.267240524291992 20567,436,1423,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.69181013,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,3,8.267240524291992 20568,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 20569,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,XPVLCCOOMVYREG-VBFWKCISSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19+/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(CC[C@@H]1O)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.157288488,XPVLCCOOMVYREG,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 20570,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,XPVLCCOOMVYREG-VBFWKCISSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19+/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(CC[C@@H]1O)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.157288488,XPVLCCOOMVYREG,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 20571,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CC(O)CC(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.157288488,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 20572,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CC(O)CC(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.157288488,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 20573,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CC(O)CC(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.157288488,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 20574,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CC(O)CC(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.157288488,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 20575,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CC(O)CC(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.157288488,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 20576,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CC(O)CC(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.157288488,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 20577,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 20578,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 20579,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 20580,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,RLZBXKKKLIYURW-ZUJRJSPDSA-N,"InChI=1S/C19H24O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10-,11+,12-,13-,14-,17-,18-,19-/m1/s1",C=C1[C@@H]2CC[C@H]3[C@@]45CC[C@H](O)[C@@](C)(C(=O)O4)[C@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O,C19H24O6,pos_2_1proton1sodium,348.157288488,RLZBXKKKLIYURW,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 20581,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 20582,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 20583,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,RLZBXKKKLIYURW-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)",C=C1C2CCC3C45CCC(O)C(C)(C(=O)O4)C5C(C(=O)O)C3(C2)C1O,C19H24O6,pos_2_1proton1sodium,348.157288488,RLZBXKKKLIYURW,Terpenoids,Diterpenoids,Gibberellins,Prunus,731578.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Unknown'],8,3,9.5 20584,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 20585,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus sibirica,296729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus sibirica'],8,3,9.5 20586,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 20587,434,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-UHFFFAOYSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O6,pos_2_1proton1sodium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Prunus mandshurica,692781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus mandshurica'],8,3,9.5 20588,431,2589,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.49755722,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola heterodonta,762829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola heterodonta'],5,3,8.49022889137268 20589,431,2589,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.49755722,ISDB,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Paeonia rockii,360650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia rockii'],5,3,8.49022889137268 20590,431,2589,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.49755722,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phedimus kamtschaticus,656482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus kamtschaticus'],5,3,8.49022889137268 20591,431,2589,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.49755722,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Kalanchoe pinnata,726046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe pinnata'],5,3,8.49022889137268 20592,431,2589,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.49755722,ISDB,KSEBMYQBYZTDHS-HYXAFXHYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3-",COc1cc(/C=C\C(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],5,3,8.49022889137268 20593,431,2589,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.49755722,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sedum takesimense,656482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus kamtschaticus'],5,3,8.49022889137268 20594,428,2589,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.6731529,ISDB,QUSIDDCMPVGSQT-CDUCUWFYSA-N,"InChI=1S/C10H12O5/c1-5(11)9(13)6-3-2-4-7(12)8(6)10(14)15/h2-5,9,11-13H,1H3,(H,14,15)/t5-,9-/m0/s1",C[C@H](O)[C@H](O)c1cccc(O)c1C(=O)O,C10H12O5,,212.068473484,QUSIDDCMPVGSQT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Clerodendrum formicarum,6086187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Clerodendrum'],['Clerodendrum formicarum'],4,2,7.6926116943359375 20595,427,-1,,,,0.86082333,ISDB,LFIPWJLWVGROTL-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-6-2-4-8(11)10-7(6)3-5-9(12)13-10/h2-5,11H,1H3",Cc1ccc(O)c2oc(=O)ccc12,C10H8O3,,176.047344116,LFIPWJLWVGROTL,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea ornata,785651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ornata'],4,0,7.443293333053589 20596,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],5,0,7.4080305099487305 20597,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],5,0,7.4080305099487305 20598,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola sachalinensis,581648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sachalinensis'],5,0,7.4080305099487305 20599,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola semenovii,668902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola semenovii'],5,0,7.4080305099487305 20600,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola crenulata,1024602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola crenulata'],5,0,7.4080305099487305 20601,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola sacra,311049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sacra'],5,0,7.4080305099487305 20602,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes uva-crispa,163280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes uva-crispa'],5,0,7.4080305099487305 20603,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Kalanchoe delagoensis,956787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe delagoensis'],5,0,7.4080305099487305 20604,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Kalanchoe tubiflora,956787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe delagoensis'],5,0,7.4080305099487305 20605,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],5,0,7.4080305099487305 20606,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],5,0,7.4080305099487305 20607,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Paeonia rockii,360650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia rockii'],5,0,7.4080305099487305 20608,426,-1,,,,0.6020076,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Kalanchoe pinnata,726046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe pinnata'],5,0,7.4080305099487305 20609,425,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XDMOPVQNPWVPSX-UHFFFAOYSA-N,"InChI=1S/C8H6O/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-3,5-6,9H",OC12C3=C4C5C3C1C5C42,C8H6O,pos_1_1proton1methanol,118.041864812,XDMOPVQNPWVPSX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,3,8.5 20610,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Heliotropium lasiocarpum,805469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Heliotropiaceae'],['Unknown'],['Heliotropium'],['Heliotropium lasiocarpum'],4,1,6.602442741394043 20611,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,1,6.602442741394043 20612,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,1,6.602442741394043 20613,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Achillea grandifolia,245232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea grandifolia'],4,1,6.602442741394043 20614,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,1,6.602442741394043 20615,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.602442741394043 20616,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Rostrinucula dependens,284543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Pogostemoneae'],['Rostrinucula'],['Rostrinucula dependens'],4,1,6.602442741394043 20617,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,1,6.602442741394043 20618,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,1,6.602442741394043 20619,424,152,Shikimates and Phenylpropanoids,Monoterpenoids,Iridoids monoterpenoids,0.5256107,ISDB,SATCULPHIDQDRE-UHFFFAOYSA-N,"InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",O=Cc1ccc2c(c1)OCO2,C8H6O3,,150.031694052,SATCULPHIDQDRE,Shikimates and Phenylpropanoids,,,Cinnamomum parthenoxylon,129758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum parthenoxylon'],4,1,6.602442741394043 20620,423,-1,,,,0.0,MS1_match,NQBWNECTZUOWID-MZXMXVKLSA-N,"InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+",O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,C18H16O2,pos_2_2proton,264.115029752,NQBWNECTZUOWID,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Liquidambar formosana,1084666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar formosana'],8,0,8.0 20621,421,-1,,,,0.0,MS1_match,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,pos_1_minus1proton1iron,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,6.0 20622,419,-1,,,,0.0,MS1_match,CQWWASNOGSDPRL-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1",CC(C)[C@H](C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_minus1proton1magnesium,261.121237328,CQWWASNOGSDPRL,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],6,0,6.0 20623,419,-1,,,,0.0,MS1_match,CQWWASNOGSDPRL-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1",CC(C)[C@H](C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_minus1proton1magnesium,261.121237328,CQWWASNOGSDPRL,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Rhodotypos scandens,156934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Rhodotypos'],['Rhodotypos scandens'],6,0,6.0 20624,419,-1,,,,0.0,MS1_match,HMHWOCAKHBBOPZ-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1",C[C@@H](CC#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_minus1proton1magnesium,261.121237328,HMHWOCAKHBBOPZ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],6,0,6.0 20625,419,-1,,,,0.0,MS1_match,HMHWOCAKHBBOPZ-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1",C[C@@H](CC#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_minus1proton1magnesium,261.121237328,HMHWOCAKHBBOPZ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],6,0,6.0 20626,419,-1,,,,0.0,MS1_match,HMHWOCAKHBBOPZ-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1",C[C@@H](CC#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_minus1proton1magnesium,261.121237328,HMHWOCAKHBBOPZ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Neviusia alabamensis,782153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Neviusia'],['Neviusia alabamensis'],6,0,6.0 20627,419,-1,,,,0.0,MS1_match,HMHWOCAKHBBOPZ-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,2,4-5H2,1H3/t6-,7+,8+,9-,10+,11+/m0/s1",C[C@@H](CC#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_minus1proton1magnesium,261.121237328,HMHWOCAKHBBOPZ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Rhodotypos scandens,156934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Rhodotypos'],['Rhodotypos scandens'],6,0,6.0 20628,415,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20629,412,-1,,,,0.0,MS1_match,MDLTWTOQCHCLSZ-UHFFFAOYSA-N,"InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3",Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,C14H21NO8,pos_1_1sodium,331.126716632,MDLTWTOQCHCLSZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20630,412,-1,,,,0.0,MS1_match,MBBVSWDIGPICDG-CMDBODPZSA-N,"InChI=1S/C39H40O10/c1-19(2)21(11-12-39(3,4)47)15-28-37-33(30(45)18-31(48-37)27-10-9-24(41)17-29(27)44)35(46)34-32(22-13-25(42)16-26(43)14-22)36(49-38(28)34)20-5-7-23(40)8-6-20/h5-10,13-14,16-17,21,31-32,36,40-44,46-47H,1,11-12,15,18H2,2-4H3/t21?,31-,32-,36+/m0/s1",C=C(C)C(CCC(C)(C)O)Cc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)[C@H]3c1cc(O)cc(O)c1)C(=O)C[C@@H](c1ccc(O)cc1O)O2,C39H40O10,pos_2_1proton1potassium,668.26214748,MBBVSWDIGPICDG,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Sophora alopecuroides,571300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora alopecuroides'],6,0,6.0 20631,412,-1,,,,0.0,MS1_match,HHSHAXHGYOQIQP-OZRRSSBWSA-N,"InChI=1S/C39H40O10/c1-38(2)12-11-21(39(3,4)49-38)15-27-36-32(29(45)18-30(47-36)26-10-9-23(41)17-28(26)44)34(46)33-31(20-13-24(42)16-25(43)14-20)35(48-37(27)33)19-5-7-22(40)8-6-19/h5-10,13-14,16-17,21,30-31,35,40-44,46H,11-12,15,18H2,1-4H3/t21?,30-,31-,35+/m0/s1",CC1(C)CCC(Cc2c3c(c(O)c4c2O[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)C(=O)C[C@@H](c2ccc(O)cc2O)O3)C(C)(C)O1,C39H40O10,pos_2_1proton1potassium,668.26214748,HHSHAXHGYOQIQP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Sophora alopecuroides,571300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora alopecuroides'],6,0,6.0 20632,410,-1,,,,0.0,MS1_match,MDLTWTOQCHCLSZ-UHFFFAOYSA-N,"InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3",Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,C14H21NO8,pos_1_1proton1ammonium,331.126716632,MDLTWTOQCHCLSZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 20633,409,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.26391238,ISDB,MDLTWTOQCHCLSZ-UHFFFAOYSA-N,"InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3",Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,C14H21NO8,,331.126716632,MDLTWTOQCHCLSZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,7.055649518966675 20634,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton1ammonium,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,3,7.5 20635,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton1ammonium,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Trifolium pratense,839027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pratense'],6,3,7.5 20636,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton1ammonium,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia rigidula,671629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia rigidula'],6,3,7.5 20637,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton1ammonium,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,3,7.5 20638,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton1ammonium,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Tamarindus indica,812370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Tamarindus'],['Tamarindus indica'],6,3,7.5 20639,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",COc1ccc(C(=O)O)cc1,C8H8O3,pos_1_1proton1ammonium,152.047344116,ZEYHEAKUIGZSGI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Chamaecrista greggii,3916645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Chamaecrista'],['Chamaecrista greggii'],6,3,7.5 20640,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,XQXPVVBIMDBYFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",O=C(O)Cc1ccc(O)cc1,C8H8O3,pos_1_1proton1ammonium,152.047344116,XQXPVVBIMDBYFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],6,3,7.5 20641,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,LXCFILQKKLGQFO-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",COC(=O)c1ccc(O)cc1,C8H8O3,pos_1_1proton1ammonium,152.047344116,LXCFILQKKLGQFO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Tachigali paniculata,404627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Tachigali'],['Tachigali paniculata'],6,3,7.5 20642,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,LXCFILQKKLGQFO-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",COC(=O)c1ccc(O)cc1,C8H8O3,pos_1_1proton1ammonium,152.047344116,LXCFILQKKLGQFO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Pueraria montana var. lobata,935487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria montana'],6,3,7.5 20643,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,LXCFILQKKLGQFO-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",COC(=O)c1ccc(O)cc1,C8H8O3,pos_1_1proton1ammonium,152.047344116,LXCFILQKKLGQFO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Leucaena leucocephala,510052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Leucaena'],['Leucaena leucocephala'],6,3,7.5 20644,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,LXCFILQKKLGQFO-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",COC(=O)c1ccc(O)cc1,C8H8O3,pos_1_1proton1ammonium,152.047344116,LXCFILQKKLGQFO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lessertia frutescens,611053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Lessertia'],['Lessertia frutescens'],6,3,7.5 20645,408,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_1_1proton1ammonium,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Leonardoxa africana,865425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Leonardoxa'],['Leonardoxa africana'],6,3,7.5 20646,407,-1,,,,0.0,MS1_match,DISZALCMKPICJS-UHFFFAOYSA-N,"InChI=1S/C7H12O2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3",CCC1OC(=O)CC1C,C7H12O2,pos_1_1proton1ethylamine,128.083729624,DISZALCMKPICJS,Fatty acids,Fatty esters,Lactones,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20647,405,2,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OYTCTPHTVUEGCL-GCPOEHJPSA-N,"InChI=1S/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O9,pos_1_1proton1ethylamine,370.1263822839999,OYTCTPHTVUEGCL,Shikimates and Phenylpropanoids,,,Eleutherococcus senticosus,631492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus senticosus'],8,1,8.5 20648,403,-1,,,,0.0,MS1_match,ODLMAHJVESYWTB-UHFFFAOYSA-N,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",CCCc1ccccc1,C9H12,pos_1_1proton1ammonium,120.093900384,ODLMAHJVESYWTB,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20649,402,3372,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.0,MS1_match,PLVQSRXCDPEDHN-VXNVDRBHSA-N,"InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9-/m1/s1",CC(=O)C[C@H]1CCC[C@@H](C)N1,C9H17NO,pos_1_1proton,155.131014164,PLVQSRXCDPEDHN,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 20650,401,-1,,,,0.4791711,ISDB,BWXDELRNNYLLKB-APPZFPTMSA-N,"InChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3/t7-,9+/m1/s1",C[C@]12CCC[C@H](CC(=O)C1)N2,C9H15NO,,153.1153641,BWXDELRNNYLLKB,Alkaloids,Lysine alkaloids,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,8.91668438911438 20651,397,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1sodium,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,9.0 20652,397,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1sodium,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,9.0 20653,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Daphne odora,5747002.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Thymelaeaceae'],['Unknown'],['Daphne'],['Daphne odora'],4,3,7.921419620513916 20654,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,7.921419620513916 20655,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],4,3,7.921419620513916 20656,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],4,3,7.921419620513916 20657,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vitex agnus-castus,988127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex agnus-castus'],4,3,7.921419620513916 20658,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cedronella canariensis,248831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cedronella'],['Cedronella canariensis'],4,3,7.921419620513916 20659,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.921419620513916 20660,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],4,3,7.921419620513916 20661,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],4,3,7.921419620513916 20662,393,1800,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6053549,ISDB,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],4,3,7.921419620513916 20663,391,2130,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.5060834,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Cercis chinensis,214129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Cercis'],['Cercis chinensis'],8,2,11.024333715438843 20664,389,-1,,,,0.72009885,ISDB,,,,,,,WTMDFGXAORFIDA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8803954124450684 20665,388,-1,,,,0.0,MS1_match,WIOFFAMWIKGCQE-GYXGAVCMSA-N,"InChI=1S/C30H36O17/c1-39-14-6-16(41-3)15(40-2)5-12(14)13-8-43-17-7-18(26(42-4)23(34)20(17)21(13)32)46-28-25(36)24(35)22(33)19(47-28)9-44-29-27(37)30(38,10-31)11-45-29/h5-8,19,22,24-25,27-29,31,33-38H,9-11H2,1-4H3/t19-,22-,24+,25-,27+,28-,29-,30-/m1/s1",COc1cc(OC)c(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O)cc1OC,C30H36O17,pos_2MFe,668.195249692,WIOFFAMWIKGCQE,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Dalbergia sissoo,93966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia sissoo'],6,0,6.0 20666,388,-1,,,,0.0,MS1_match,HZEWHESQZMJCAC-LJCJCFAGSA-N,"InChI=1S/C30H36O17/c1-10-18(33)22(37)24(39)29(43-10)47-28-23(38)19(34)16(9-31)46-30(28)45-15-8-14-17(20(35)26(15)41-3)21(36)27(42-4)25(44-14)11-5-6-12(32)13(7-11)40-2/h5-8,10,16,18-19,22-24,28-35,37-39H,9H2,1-4H3/t10-,16+,18+,19+,22+,23+,24-,28+,29+,30-/m1/s1",COc1cc(-c2oc3cc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)ccc1O,C30H36O17,pos_2MFe,668.195249692,HZEWHESQZMJCAC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Senna occidentalis,921074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna occidentalis'],6,0,6.0 20667,387,2174,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AFEOHOFUAGTTRM-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(17(16)23-2)13(20)14(21)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-19,21H,1-2H3",COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OC,C17H14O7,pos_1_minus1proton1calcium,330.073952788,AFEOHOFUAGTTRM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Adenostoma sparsifolium,833577.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sorbarieae'],['Adenostoma'],['Adenostoma sparsifolium'],6,3,7.5 20668,387,2174,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MYMGKIQXYXSRIJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,C17H14O7,pos_1_minus1proton1calcium,330.073952788,MYMGKIQXYXSRIJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Spiraea brahuica,5527789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Spiraeeae'],['Spiraea'],['Spiraea brahuica'],6,3,7.5 20669,387,2174,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,AOFQCVDYMNHCKD-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=O,C17H14O7,pos_1_minus1proton1calcium,330.073952788,AOFQCVDYMNHCKD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus phoenicolasius,96561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus phoenicolasius'],6,3,7.5 20670,387,2174,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HLSIOUXODPWHFI-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3",COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc1,C17H14O7,pos_1_minus1proton1calcium,330.073952788,HLSIOUXODPWHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],6,3,7.5 20671,386,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MNa,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhynchosia volubilis,3921989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Rhynchosia'],['Rhynchosia volubilis'],6,0,6.0 20672,386,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MNa,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia nilotica,60610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia nilotica'],6,0,6.0 20673,386,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MNa,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20674,386,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MNa,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20675,386,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MNa,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia tortilis,581630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia tortilis'],6,0,6.0 20676,386,-1,,,,0.0,MS1_match,VGVDLJNNDOFWKT-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2",O=C(OCC1OC(O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MNa,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20677,386,-1,,,,0.0,MS1_match,VGVDLJNNDOFWKT-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MNa,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20678,386,-1,,,,0.0,MS1_match,XIROHVIWMDGOFO-UHFFFAOYSA-N,"InChI=1S/C65H58O32/c1-25(66)81-42-21-45(83-27(3)68)55-46(22-42)95-59(40-17-50(87-31(7)72)62(92-36(12)77)51(18-40)88-32(8)73)64(94-38(14)79)57(55)56-47(84-28(4)69)24-44(82-26(2)67)43-23-54(96-65(80)41-19-52(89-33(9)74)63(93-37(13)78)53(20-41)90-34(10)75)58(97-60(43)56)39-15-48(85-29(5)70)61(91-35(11)76)49(16-39)86-30(6)71/h15-22,24,54,57-59,64H,23H2,1-14H3",CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)C(OC(C)=O)C2c1c(OC(C)=O)cc(OC(C)=O)c2c1OC(c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)C(OC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)C2,C65H58O32,pos_2_1magnesium,1350.2911196959997,XIROHVIWMDGOFO,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Stryphnodendron adstringens,386248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Stryphnodendron'],['Stryphnodendron adstringens'],6,0,6.0 20679,382,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhynchosia volubilis,3921989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Rhynchosia'],['Rhynchosia volubilis'],6,0,6.0 20680,382,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia nilotica,60610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia nilotica'],6,0,6.0 20681,382,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20682,382,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20683,382,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia tortilis,581630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia tortilis'],6,0,6.0 20684,382,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,VGVDLJNNDOFWKT-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2",O=C(OCC1OC(O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20685,382,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,VGVDLJNNDOFWKT-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20686,381,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhynchosia volubilis,3921989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Rhynchosia'],['Rhynchosia volubilis'],6,0,6.0 20687,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3",C=C(C)C1Cc2cc3c(cc2O1)OCC1(O)c2ccc(O)cc2OC31,C20H18O5,pos_2MMg,338.115423676,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine canescens,458414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine canescens'],6,0,6.0 20688,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-RYGJVYDSSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine latifolia,952060.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine latifolia'],6,0,6.0 20689,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-RYGJVYDSSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine tabacina,636869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine tabacina'],6,0,6.0 20690,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-RYGJVYDSSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine soja,459708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine soja'],6,0,6.0 20691,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-RYGJVYDSSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine clandestina,800266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine clandestina'],6,0,6.0 20692,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3",C=C(C)C1Cc2cc3c(cc2O1)OCC1(O)c2ccc(O)cc2OC31,C20H18O5,pos_2MMg,338.115423676,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20693,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3",C=C(C)C1Cc2cc3c(cc2O1)OCC1(O)c2ccc(O)cc2OC31,C20H18O5,pos_2MMg,338.115423676,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine canescens,458414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine canescens'],6,0,6.0 20694,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-RYGJVYDSSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine latifolia,952060.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine latifolia'],6,0,6.0 20695,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-RYGJVYDSSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine tabacina,636869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine tabacina'],6,0,6.0 20696,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-RYGJVYDSSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine soja,459708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine soja'],6,0,6.0 20697,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-RYGJVYDSSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1",C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine clandestina,800266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine clandestina'],6,0,6.0 20698,381,-1,,,,0.0,MS1_match,YIFYYPKWOQSCRI-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3",CC1(C)C=Cc2c(ccc3c2OCC2(O)c4ccc(O)cc4OC32)O1,C20H18O5,pos_2MMg,338.115423676,YIFYYPKWOQSCRI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20699,381,-1,,,,0.0,MS1_match,YIFYYPKWOQSCRI-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1,C20H18O5,pos_2MMg,338.115423676,YIFYYPKWOQSCRI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine soja,459708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine soja'],6,0,6.0 20700,381,-1,,,,0.0,MS1_match,YIFYYPKWOQSCRI-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1,C20H18O5,pos_2MMg,338.115423676,YIFYYPKWOQSCRI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine tomentella,636873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine tomentella'],6,0,6.0 20701,381,-1,,,,0.0,MS1_match,YIFYYPKWOQSCRI-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1,C20H18O5,pos_2MMg,338.115423676,YIFYYPKWOQSCRI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine clandestina,800266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine clandestina'],6,0,6.0 20702,381,-1,,,,0.0,MS1_match,MIYTVBARXCVVHZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3",C=C(C)C1Cc2cc3c(cc2O1)OCC1(O)c2ccc(O)cc2OC31,C20H18O5,pos_2MMg,338.115423676,MIYTVBARXCVVHZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20703,381,-1,,,,0.0,MS1_match,YIFYYPKWOQSCRI-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1,C20H18O5,pos_2MMg,338.115423676,YIFYYPKWOQSCRI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine falcata,952066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine falcata'],6,0,6.0 20704,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-QUCCMNQESA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m1/s1",CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@]31O,C20H18O5,pos_2MMg,338.115423676,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Calopogonium mucunoides,222826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Calopogonium'],['Calopogonium mucunoides'],6,0,6.0 20705,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1c2ccc(O)cc2OC[C@@]31O,C20H18O5,pos_2MMg,338.115423676,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Pueraria candollei var. mirifica,544415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria candollei'],6,0,6.0 20706,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza uralensis,284051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza uralensis'],6,0,6.0 20707,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Vigna angularis,1065959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna angularis'],6,0,6.0 20708,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Bolusanthus speciosus,807797.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Bolusanthus'],['Bolusanthus speciosus'],6,0,6.0 20709,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina variegata,570708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina variegata'],6,0,6.0 20710,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus luteus,1086811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus luteus'],6,0,6.0 20711,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Pueraria montana var. lobata,935487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria montana'],6,0,6.0 20712,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Anthyllis hermanniae,421547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis hermanniae'],6,0,6.0 20713,381,-1,,,,0.0,MS1_match,GAGKUHAKUBMORD-IJDCCNJMSA-N,"InChI=1S/C20H18O5/c1-12(21)8-9-14-18(24-2)11-16(23)19-15(22)10-17(25-20(14)19)13-6-4-3-5-7-13/h3-9,11,17,23H,10H2,1-2H3/b9-8+/t17-/m0/s1",COc1cc(O)c2c(c1/C=C/C(C)=O)O[C@H](c1ccccc1)CC2=O,C20H18O5,pos_2MMg,338.11542367600003,GAGKUHAKUBMORD,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Tephrosia sinapou,3920315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia sinapou'],6,0,6.0 20714,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3",CC1(C)C=Cc2cc3c(cc2O1)OC1c2ccc(O)cc2OCC31O,C20H18O5,pos_2MMg,338.1154236759999,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Pueraria tuberosa,720158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria tuberosa'],6,0,6.0 20715,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3",CC1(C)C=Cc2cc3c(cc2O1)OC1c2ccc(O)cc2OCC31O,C20H18O5,pos_2MMg,338.1154236759999,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Pueraria montana var. lobata,935487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria montana'],6,0,6.0 20716,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1c2ccc(O)cc2OC[C@@]31O,C20H18O5,pos_2MMg,338.115423676,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Pueraria candollei var. mirifica,544415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria candollei'],6,0,6.0 20717,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-QUCCMNQESA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m1/s1",CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@]31O,C20H18O5,pos_2MMg,338.115423676,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],6,0,6.0 20718,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-QUCCMNQESA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m1/s1",CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@]31O,C20H18O5,pos_2MMg,338.115423676,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Calopogonium mucunoides,222826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Calopogonium'],['Calopogonium mucunoides'],6,0,6.0 20719,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3",CC1(C)C=Cc2cc3c(cc2O1)OC1c2ccc(O)cc2OCC31O,C20H18O5,pos_2MMg,338.1154236759999,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Pueraria tuberosa,720158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria tuberosa'],6,0,6.0 20720,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3",CC1(C)C=Cc2cc3c(cc2O1)OC1c2ccc(O)cc2OCC31O,C20H18O5,pos_2MMg,338.1154236759999,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Pueraria montana var. lobata,935487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Pueraria'],['Pueraria montana'],6,0,6.0 20721,381,-1,,,,0.0,MS1_match,ZBTYHECJEINCMD-QUCCMNQESA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m1/s1",CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@]31O,C20H18O5,pos_2MMg,338.115423676,ZBTYHECJEINCMD,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],6,0,6.0 20722,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 20723,381,-1,,,,0.0,MS1_match,YIFYYPKWOQSCRI-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1,C20H18O5,pos_2MMg,338.115423676,YIFYYPKWOQSCRI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine latifolia,952060.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine latifolia'],6,0,6.0 20724,381,-1,,,,0.0,MS1_match,YIFYYPKWOQSCRI-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1,C20H18O5,pos_2MMg,338.115423676,YIFYYPKWOQSCRI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine tabacina,636869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine tabacina'],6,0,6.0 20725,381,-1,,,,0.0,MS1_match,OKKOOVXXLBMKQH-ZZXKWVIFSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-9-12(10-18(24)19(13)25-20)3-6-16(22)15-5-4-14(21)11-17(15)23/h3-11,21,23-24H,1-2H3/b6-3+",CC1(C)C=Cc2cc(/C=C/C(=O)c3ccc(O)cc3O)cc(O)c2O1,C20H18O5,pos_2MMg,338.1154236759999,OKKOOVXXLBMKQH,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Erythrina abyssinica,3921472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina abyssinica'],6,0,6.0 20726,381,-1,,,,0.0,MS1_match,WQCFPYAJTXOZMT-KRWDZBQOSA-N,"InChI=1S/C20H18O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-9,17,21-22H,10H2,1-2H3/t17-/m0/s1",CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)ccc2O1,C20H18O5,pos_2MMg,338.1154236759999,WQCFPYAJTXOZMT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Erythrina abyssinica,3921472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina abyssinica'],6,0,6.0 20727,381,-1,,,,0.0,MS1_match,SOYHFIGRYCLZKD-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-12-5-14(16(22)8-15(12)21)18-6-13-7-19-20(24-10-23-19)9-17(13)25-18/h3,5-9,21-22H,4,10H2,1-2H3",CC(C)=CCc1cc(-c2cc3cc4c(cc3o2)OCO4)c(O)cc1O,C20H18O5,pos_2MMg,338.1154236759999,SOYHFIGRYCLZKD,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],6,0,6.0 20728,381,-1,,,,0.0,MS1_match,BNPMTCOAGXAAIT-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3",CC1(C)CCc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1,C20H18O5,pos_2MMg,338.115423676,BNPMTCOAGXAAIT,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina variegata,570708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina variegata'],6,0,6.0 20729,381,-1,,,,0.0,MS1_match,BNPMTCOAGXAAIT-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3",CC1(C)CCc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1,C20H18O5,pos_2MMg,338.115423676,BNPMTCOAGXAAIT,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Crotalaria madurensis,791082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Crotalaria'],['Crotalaria madurensis'],6,0,6.0 20730,381,-1,,,,0.0,MS1_match,ZXNZQHNHLFKSFZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-10,21-23H,5H2,1-2H3",CC(C)=CCc1c(O)ccc2c(=O)c(-c3ccc(O)cc3O)coc12,C20H18O5,pos_2MMg,338.115423676,ZXNZQHNHLFKSFZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Adenocarpus cincinnatus,153629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Adenocarpus'],['Adenocarpus cincinnatus'],6,0,6.0 20731,381,-1,,,,0.0,MS1_match,SFIMWOHAIWWSQJ-OAHLLOKOSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-17(25-20)6-5-14-18(23)15(10-24-19(13)14)12-4-3-11(21)9-16(12)22/h3-9,15,21-22H,10H2,1-2H3/t15-/m1/s1",CC1(C)C=Cc2c(ccc3c2OC[C@H](c2ccc(O)cc2O)C3=O)O1,C20H18O5,pos_2MMg,338.1154236759999,SFIMWOHAIWWSQJ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 20732,381,-1,,,,0.0,MS1_match,XCAPUWLNGWQEIS-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-9,15,21-22H,10H2,1-2H3",CC1(C)C=Cc2c(ccc(C3COc4cc(O)ccc4C3=O)c2O)O1,C20H18O5,pos_2MMg,338.115423676,XCAPUWLNGWQEIS,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Erythrina lysistemon,284184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina lysistemon'],6,0,6.0 20733,381,-1,,,,0.0,MS1_match,NUHWTADXTBESTA-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-16(22)6-5-12(19(13)25-20)15-10-24-17-9-11(21)3-4-14(17)18(15)23/h3-9,15,21-22H,10H2,1-2H3",CC1(C)C=Cc2c(O)ccc(C3COc4cc(O)ccc4C3=O)c2O1,C20H18O5,pos_2MMg,338.1154236759999,NUHWTADXTBESTA,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Erythrina lysistemon,284184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina lysistemon'],6,0,6.0 20734,381,-1,,,,0.0,MS1_match,QHOGIWOAXCXNES-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-4-20(2,3)17-14(22)9-15-16(19(17)24)18(23)13(10-25-15)11-5-7-12(21)8-6-11/h4-10,21-22,24H,1H2,2-3H3",C=CC(C)(C)c1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,QHOGIWOAXCXNES,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Flemingia macrophylla,768122.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Flemingia macrophylla'],6,0,6.0 20735,381,-1,,,,0.0,MS1_match,CCQYTBSOADZYAG-ZQGRQUNCSA-N,"InChI=1S/C20H18O5/c1-9(2)15-6-12-17(24-15)7-14(22)18-19(12)23-8-13-11-4-3-10(21)5-16(11)25-20(13)18/h3-5,7,13,15,20-22H,1,6,8H2,2H3/t13-,15-,20+/m0/s1",C=C(C)[C@@H]1Cc2c(cc(O)c3c2OC[C@H]2c4ccc(O)cc4O[C@@H]32)O1,C20H18O5,pos_2MMg,338.115423676,CCQYTBSOADZYAG,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Apios americana,488051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Apios'],['Apios americana'],6,0,6.0 20736,381,-1,,,,0.0,MS1_match,JQTDISRMTYKTTQ-SNVBAGLBSA-N,"InChI=1S/C20H18O5/c1-10-20(2,3)17-15(25-10)8-14(22)16-18(23)13(9-24-19(16)17)11-4-6-12(21)7-5-11/h4-10,21-22H,1-3H3/t10-/m1/s1",C[C@H]1Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2C1(C)C,C20H18O5,pos_2MMg,338.115423676,JQTDISRMTYKTTQ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Flemingia macrophylla,768122.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Flemingia macrophylla'],6,0,6.0 20737,381,-1,,,,0.0,MS1_match,JQTDISRMTYKTTQ-SNVBAGLBSA-N,"InChI=1S/C20H18O5/c1-10-20(2,3)17-15(25-10)8-14(22)16-18(23)13(9-24-19(16)17)11-4-6-12(21)7-5-11/h4-10,21-22H,1-3H3/t10-/m1/s1",C[C@H]1Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2C1(C)C,C20H18O5,pos_2MMg,338.115423676,JQTDISRMTYKTTQ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Flemingia prostrata,3922059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Flemingia prostrata'],6,0,6.0 20738,381,-1,,,,0.0,MS1_match,XIQJWMALSPXBMN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-16(25-20)9-15(22)17-18(23)14(10-24-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3",CC1(C)CCc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1,C20H18O5,pos_2MMg,338.115423676,XIQJWMALSPXBMN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Crotalaria madurensis,791082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Crotalaria'],['Crotalaria madurensis'],6,0,6.0 20739,381,-1,,,,0.0,MS1_match,LROKNLVNTRTDCU-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)7-6-13-18(25-20)10-17-14(19(13)23-3)9-16(24-17)12-5-4-11(21)8-15(12)22/h4-10,21-22H,1-3H3",COc1c2c(cc3oc(-c4ccc(O)cc4O)cc13)OC(C)(C)C=C2,C20H18O5,pos_2MMg,338.115423676,LROKNLVNTRTDCU,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Neorautanenia mitis,324035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia mitis'],6,0,6.0 20740,381,-1,,,,0.0,MS1_match,NNTNZSXIELRUQM-KRWDZBQOSA-N,"InChI=1S/C20H18O5/c1-20(2,23)18-9-14-16(24-18)8-7-13-15(22)10-17(25-19(13)14)11-3-5-12(21)6-4-11/h3-9,17,21,23H,10H2,1-2H3/t17-/m0/s1",CC(C)(O)c1cc2c3c(ccc2o1)C(=O)C[C@@H](c1ccc(O)cc1)O3,C20H18O5,pos_2MMg,338.115423676,NNTNZSXIELRUQM,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20741,381,-1,,,,0.0,MS1_match,YIFYYPKWOQSCRI-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1,C20H18O5,pos_2MMg,338.115423676,YIFYYPKWOQSCRI,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine latrobeana,952053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine latrobeana'],6,0,6.0 20742,381,-1,,,,0.0,MS1_match,NNTNZSXIELRUQM-KRWDZBQOSA-N,"InChI=1S/C20H18O5/c1-20(2,23)18-9-14-16(24-18)8-7-13-15(22)10-17(25-19(13)14)11-3-5-12(21)6-4-11/h3-9,17,21,23H,10H2,1-2H3/t17-/m0/s1",CC(C)(O)c1cc2c3c(ccc2o1)C(=O)C[C@@H](c1ccc(O)cc1)O3,C20H18O5,pos_2MMg,338.115423676,NNTNZSXIELRUQM,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20743,381,-1,,,,0.0,MS1_match,IPXXMSXJVCGTCG-SFHVURJKSA-N,"InChI=1S/C20H18O5/c1-20(2)18(22)8-12-7-11(3-6-16(12)25-20)15-10-24-17-9-13(21)4-5-14(17)19(15)23/h3-7,9-10,18,21-22H,8H2,1-2H3/t18-/m0/s1",CC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2C[C@@H]1O,C20H18O5,pos_2MMg,338.1154236759999,IPXXMSXJVCGTCG,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20744,381,-1,,,,0.0,MS1_match,NNCFAUGCNTZUIW-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-10,21-23H,5H2,1-2H3",CC(C)=CCc1c(O)ccc(-c2coc3cc(O)ccc3c2=O)c1O,C20H18O5,pos_2MMg,338.1154236759999,NNCFAUGCNTZUIW,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza inflata,284049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza inflata'],6,0,6.0 20745,381,-1,,,,0.0,MS1_match,NNCFAUGCNTZUIW-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-10,21-23H,5H2,1-2H3",CC(C)=CCc1c(O)ccc(-c2coc3cc(O)ccc3c2=O)c1O,C20H18O5,pos_2MMg,338.1154236759999,NNCFAUGCNTZUIW,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza eurycarpa,313522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza eurycarpa'],6,0,6.0 20746,381,-1,,,,0.0,MS1_match,LPBAKOAUSJMTEN-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-5-14-17(12)24-18-13-4-3-11(21)9-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2c(ccc3c2O[C@H]2c4ccc(O)cc4OC[C@@]32O)O1,C20H18O5,pos_2MMg,338.1154236759999,LPBAKOAUSJMTEN,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 20747,381,-1,,,,0.0,MS1_match,VVADONNDOIJPOB-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-22-17(13-7-5-4-6-8-13)12-16(21)15-11-18(23-2)20-14(9-10-25-20)19(15)24-3/h4-12H,1-3H3",COC(=CC(=O)c1cc(OC)c2occc2c1OC)c1ccccc1,C20H18O5,pos_2MMg,338.115423676,VVADONNDOIJPOB,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Fordia cauliflora,848218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Fordia'],['Fordia cauliflora'],6,0,6.0 20748,381,-1,,,,0.0,MS1_match,DLUFCWQGHRQRMG-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15-16(17(13)22)18(23)19(24)20(25-15)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3",CC(C)=CCc1c(O)cc2oc(-c3ccccc3)c(O)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,DLUFCWQGHRQRMG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Glycyrrhiza lepidota,38037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza lepidota'],6,0,6.0 20749,381,-1,,,,0.0,MS1_match,KXBWVUQZNQMUBZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-9-15(18(24)11-19(13)25-20)17(23)10-16(22)12-3-5-14(21)6-4-12/h3-9,11,21,24H,10H2,1-2H3",CC1(C)C=Cc2cc(C(=O)CC(=O)c3ccc(O)cc3)c(O)cc2O1,C20H18O5,pos_2MMg,338.115423676,KXBWVUQZNQMUBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Glycyrrhiza inflata,284049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza inflata'],6,0,6.0 20750,381,-1,,,,0.0,MS1_match,KXBWVUQZNQMUBZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-9-15(18(24)11-19(13)25-20)17(23)10-16(22)12-3-5-14(21)6-4-12/h3-9,11,21,24H,10H2,1-2H3",CC1(C)C=Cc2cc(C(=O)CC(=O)c3ccc(O)cc3)c(O)cc2O1,C20H18O5,pos_2MMg,338.115423676,KXBWVUQZNQMUBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Glycyrrhiza eurycarpa,313522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza eurycarpa'],6,0,6.0 20751,381,-1,,,,0.0,MS1_match,KXBWVUQZNQMUBZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-9-15(18(24)11-19(13)25-20)17(23)10-16(22)12-3-5-14(21)6-4-12/h3-9,11,21,24H,10H2,1-2H3",CC1(C)C=Cc2cc(C(=O)CC(=O)c3ccc(O)cc3)c(O)cc2O1,C20H18O5,pos_2MMg,338.115423676,KXBWVUQZNQMUBZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 20752,381,-1,,,,0.0,MS1_match,WCSHKPNHOSDFGK-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12,C20H18O5,pos_2MMg,338.1154236759999,WCSHKPNHOSDFGK,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Glycyrrhiza lepidota,38037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza lepidota'],6,0,6.0 20753,381,-1,,,,0.0,MS1_match,PONIGBFVAFAGSR-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-4-20(2,3)17-15(23)9-14(22)16-18(24)13(10-25-19(16)17)11-5-7-12(21)8-6-11/h4-10,21-23H,1H2,2-3H3",C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.115423676,PONIGBFVAFAGSR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Flemingia paniculata,3922035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Flemingia paniculata'],6,0,6.0 20754,381,-1,,,,0.0,MS1_match,PONIGBFVAFAGSR-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-4-20(2,3)17-15(23)9-14(22)16-18(24)13(10-25-19(16)17)11-5-7-12(21)8-6-11/h4-10,21-23H,1H2,2-3H3",C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.115423676,PONIGBFVAFAGSR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Flemingia macrophylla,768122.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Flemingia'],['Flemingia macrophylla'],6,0,6.0 20755,381,-1,,,,0.0,MS1_match,GKIZWUHTCYQZHL-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3",CC(C)=CCc1c(O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=O,C20H18O5,pos_2MMg,338.115423676,GKIZWUHTCYQZHL,Shikimates and Phenylpropanoids,Flavonoids,Aurones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 20756,381,-1,,,,0.0,MS1_match,FRLCRXOQCLBSAQ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-10(2)3-5-13-18(23)16(22)8-14-15-9-24-17-7-11(21)4-6-12(17)19(15)25-20(13)14/h3-4,6-8,21-23H,5,9H2,1-2H3",CC(C)=CCc1c(O)c(O)cc2c3c(oc12)-c1ccc(O)cc1OC3,C20H18O5,pos_2MMg,338.1154236759999,FRLCRXOQCLBSAQ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Lespedeza cyrtobotrya,1077029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Lespedeza'],['Lespedeza cyrtobotrya'],6,0,6.0 20757,381,-1,,,,0.0,MS1_match,MXLIDQIPMAHDLB-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-17(23)10-19(25-20(13)14)12-4-7-16(22)18(24)9-12/h3-4,6-10,21-22,24H,5H2,1-2H3",CC(C)=CCc1c(O)ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc12,C20H18O5,pos_2MMg,338.115423676,MXLIDQIPMAHDLB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20758,381,-1,,,,0.0,MS1_match,MXLIDQIPMAHDLB-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-17(23)10-19(25-20(13)14)12-4-7-16(22)18(24)9-12/h3-4,6-10,21-22,24H,5H2,1-2H3",CC(C)=CCc1c(O)ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc12,C20H18O5,pos_2MMg,338.115423676,MXLIDQIPMAHDLB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20759,381,-1,,,,0.0,MS1_match,IPXXMSXJVCGTCG-SFHVURJKSA-N,"InChI=1S/C20H18O5/c1-20(2)18(22)8-12-7-11(3-6-16(12)25-20)15-10-24-17-9-13(21)4-5-14(17)19(15)23/h3-7,9-10,18,21-22H,8H2,1-2H3/t18-/m0/s1",CC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2C[C@@H]1O,C20H18O5,pos_2MMg,338.1154236759999,IPXXMSXJVCGTCG,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20760,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus albus,1030424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus albus'],6,0,6.0 20761,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza inflata,284049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza inflata'],6,0,6.0 20762,381,-1,,,,0.0,MS1_match,YGCCASGFIOIXIN-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12,C20H18O5,pos_2MMg,338.1154236759999,YGCCASGFIOIXIN,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina sigmoidea,3921516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina sigmoidea'],6,0,6.0 20763,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine clandestina,800266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine clandestina'],6,0,6.0 20764,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine canescens,458414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine canescens'],6,0,6.0 20765,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine falcata,952066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine falcata'],6,0,6.0 20766,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine latifolia,952060.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine latifolia'],6,0,6.0 20767,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine latrobeana,952053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine latrobeana'],6,0,6.0 20768,381,-1,,,,0.0,MS1_match,PFQMUQWFRINBBG-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C20H18O5,pos_2MMg,338.1154236759999,PFQMUQWFRINBBG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Glycyrrhiza uralensis,284051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza uralensis'],6,0,6.0 20769,381,-1,,,,0.0,MS1_match,PFQMUQWFRINBBG-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C20H18O5,pos_2MMg,338.1154236759999,PFQMUQWFRINBBG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Erythrina sigmoidea,3921516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina sigmoidea'],6,0,6.0 20770,381,-1,,,,0.0,MS1_match,PFQMUQWFRINBBG-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C20H18O5,pos_2MMg,338.1154236759999,PFQMUQWFRINBBG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 20771,381,-1,,,,0.0,MS1_match,PFQMUQWFRINBBG-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C20H18O5,pos_2MMg,338.1154236759999,PFQMUQWFRINBBG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Erythrina abyssinica,3921472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina abyssinica'],6,0,6.0 20772,381,-1,,,,0.0,MS1_match,PFQMUQWFRINBBG-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O,C20H18O5,pos_2MMg,338.1154236759999,PFQMUQWFRINBBG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Pithecellobium dulce,231731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Pithecellobium'],['Pithecellobium dulce'],6,0,6.0 20773,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus angustifolius,1030433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus angustifolius'],6,0,6.0 20774,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus albus,1030424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus albus'],6,0,6.0 20775,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza inflata,284049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza inflata'],6,0,6.0 20776,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus texensis,811976.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus texensis'],6,0,6.0 20777,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Bolusanthus speciosus,807797.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Bolusanthus'],['Bolusanthus speciosus'],6,0,6.0 20778,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine tomentella,636873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine tomentella'],6,0,6.0 20779,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina suberosa,583667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina suberosa'],6,0,6.0 20780,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine soja,459708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine soja'],6,0,6.0 20781,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3",CC1(C)C=Cc2cc3c(cc2O1)OCC1(O)c2ccc(O)cc2OC31,C20H18O5,pos_2MMg,338.115423676,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20782,381,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia nilotica,60610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia nilotica'],6,0,6.0 20783,381,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20784,381,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20785,381,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia tortilis,581630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia tortilis'],6,0,6.0 20786,381,-1,,,,0.0,MS1_match,VGVDLJNNDOFWKT-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2",O=C(OCC1OC(O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20787,381,-1,,,,0.0,MS1_match,VGVDLJNNDOFWKT-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20788,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3",CC1(C)C=Cc2cc3c(cc2O1)OCC1(O)c2ccc(O)cc2OC31,C20H18O5,pos_2MMg,338.115423676,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,6.0 20789,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine tabacina,636869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine tabacina'],6,0,6.0 20790,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine soja,459708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine soja'],6,0,6.0 20791,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine tomentella,636873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine tomentella'],6,0,6.0 20792,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine clandestina,800266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine clandestina'],6,0,6.0 20793,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine canescens,458414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine canescens'],6,0,6.0 20794,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine falcata,952066.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine falcata'],6,0,6.0 20795,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine latifolia,952060.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine latifolia'],6,0,6.0 20796,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine latrobeana,952053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine latrobeana'],6,0,6.0 20797,381,-1,,,,0.0,MS1_match,DDJVLBCETGUEBO-AZUAARDMSA-N,"InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1",CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31,C20H18O5,pos_2MMg,338.1154236759999,DDJVLBCETGUEBO,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Glycine tabacina,636869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine tabacina'],6,0,6.0 20798,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina variegata,570708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina variegata'],6,0,6.0 20799,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina indica,666948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina fusca'],6,0,6.0 20800,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Genista ephedroides,104029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista ephedroides'],6,0,6.0 20801,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus albus,1030424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus albus'],6,0,6.0 20802,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Sophora tomentosa,280932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tomentosa'],6,0,6.0 20803,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cajanus cajan,612448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Cajanus'],['Cajanus cajan'],6,0,6.0 20804,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina vogelii,3921530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina vogelii'],6,0,6.0 20805,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Piscidia piscipula,345233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Piscidia'],['Piscidia piscipula'],6,0,6.0 20806,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Ulex europaeus,1056067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex europaeus'],6,0,6.0 20807,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina addisoniae,3921548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina addisoniae'],6,0,6.0 20808,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20809,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 20810,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina poeppigiana,3921501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina poeppigiana'],6,0,6.0 20811,381,-1,,,,0.0,MS1_match,MEHHCBRCXIDGKZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C20H18O5,pos_2MMg,338.1154236759999,MEHHCBRCXIDGKZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Glycyrrhiza inflata,284049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza inflata'],6,0,6.0 20812,381,-1,,,,0.0,MS1_match,MEHHCBRCXIDGKZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,C20H18O5,pos_2MMg,338.1154236759999,MEHHCBRCXIDGKZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Genista ephedroides,104029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista ephedroides'],6,0,6.0 20813,381,-1,,,,0.0,MS1_match,VJDRSTHNWHVTNQ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9-10,21-22,24H,8H2,1-2H3",CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,VJDRSTHNWHVTNQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Erythrina vogelii,3921530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina vogelii'],6,0,6.0 20814,381,-1,,,,0.0,MS1_match,JTJIFFUHXHGAOQ-INIZCTEOSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-8,10,16,21,23H,9H2,1-2H3/t16-/m0/s1",CC1(C)C=Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1,C20H18O5,pos_2MMg,338.1154236759999,JTJIFFUHXHGAOQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Erythrina fusca,666948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina fusca'],6,0,6.0 20815,381,-1,,,,0.0,MS1_match,JTJIFFUHXHGAOQ-INIZCTEOSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-13-17(25-20)10-15(23)18-14(22)9-16(24-19(13)18)11-3-5-12(21)6-4-11/h3-8,10,16,21,23H,9H2,1-2H3/t16-/m0/s1",CC1(C)C=Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1,C20H18O5,pos_2MMg,338.1154236759999,JTJIFFUHXHGAOQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Erythrina fusca,666948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina fusca'],6,0,6.0 20816,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza aspera,786652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza aspera'],6,0,6.0 20817,381,-1,,,,0.0,MS1_match,SWDSVBNAMCDHTF-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3",CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O,C20H18O5,pos_2MMg,338.115423676,SWDSVBNAMCDHTF,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza uralensis,284051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza uralensis'],6,0,6.0 20818,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Anthyllis hermanniae,421547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Anthyllis'],['Anthyllis hermanniae'],6,0,6.0 20819,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus polyphyllus,1030439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus polyphyllus'],6,0,6.0 20820,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus luteus,1086811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus luteus'],6,0,6.0 20821,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina mildbraedii,3921544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina mildbraedii'],6,0,6.0 20822,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Sophora leachiana,3919869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora leachiana'],6,0,6.0 20823,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina lysistemon,284184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina lysistemon'],6,0,6.0 20824,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina addisoniae,3921548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina addisoniae'],6,0,6.0 20825,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Laburnum anagyroides,554266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Laburnum'],['Laburnum anagyroides'],6,0,6.0 20826,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Sophora flavescens,711191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora flavescens'],6,0,6.0 20827,381,-1,,,,0.0,MS1_match,LROKNLVNTRTDCU-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-20(2)7-6-13-18(25-20)10-17-14(19(13)23-3)9-16(24-17)12-5-4-11(21)8-15(12)22/h4-10,21-22H,1-3H3",COc1c2c(cc3oc(-c4ccc(O)cc4O)cc13)OC(C)(C)C=C2,C20H18O5,pos_2MMg,338.115423676,LROKNLVNTRTDCU,Shikimates and Phenylpropanoids,Isoflavonoids,2-arylbenzofurans,Neorautanenia amboensis,3922100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Neorautanenia'],['Neorautanenia amboensis'],6,0,6.0 20828,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina latissima,459689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina latissima'],6,0,6.0 20829,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 20830,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina fusca,666948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina fusca'],6,0,6.0 20831,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Erythrina poeppigiana,3921501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina poeppigiana'],6,0,6.0 20832,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus arcticus,1015261.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus arcticus'],6,0,6.0 20833,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus elegans,539263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus elegans'],6,0,6.0 20834,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus arboreus,1086808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus arboreus'],6,0,6.0 20835,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Lupinus nanus,902823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus nanus'],6,0,6.0 20836,381,-1,,,,0.0,MS1_match,KIMDVVKVNNSHGZ-UHFFFAOYSA-N,"InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3",CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O,C20H18O5,pos_2MMg,338.1154236759999,KIMDVVKVNNSHGZ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Sophora tomentosa,280932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora tomentosa'],6,0,6.0 20837,381,-1,,,,0.0,MS1_match,YTPKRSILLIAZAA-BHIYHBOVSA-N,"InChI=1S/C20H18O5/c1-20(2)8-7-12-14(25-20)6-5-13-17(12)24-19(22)16-11-4-3-10(21)9-15(11)23-18(13)16/h3-9,16,18-19,21-22H,1-2H3/t16-,18-,19-/m1/s1",CC1(C)C=Cc2c(ccc3c2O[C@@H](O)[C@@H]2c4ccc(O)cc4O[C@H]32)O1,C20H18O5,pos_2MMg,338.1154236759999,YTPKRSILLIAZAA,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Dalea filiciformis,334591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amorpheae'],['Dalea'],['Dalea filiciformis'],6,0,6.0 20838,378,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MHNH3,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhynchosia volubilis,3921989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Rhynchosia'],['Rhynchosia volubilis'],6,0,6.0 20839,378,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MHNH3,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia nilotica,60610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia nilotica'],6,0,6.0 20840,378,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MHNH3,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20841,378,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MHNH3,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20842,378,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MHNH3,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia tortilis,581630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia tortilis'],6,0,6.0 20843,378,-1,,,,0.0,MS1_match,VGVDLJNNDOFWKT-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2",O=C(OCC1OC(O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MHNH3,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20844,378,-1,,,,0.0,MS1_match,VGVDLJNNDOFWKT-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_2MHNH3,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20845,376,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,TWNIBLMWSKIRAT-VFUOTHLCSA-N,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1",O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,C6H10O5,pos_1_1proton1ammonium,162.05282342,TWNIBLMWSKIRAT,Carbohydrates,Saccharides,Monosaccharides,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,2,7.0 20846,376,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,TWNIBLMWSKIRAT-VFUOTHLCSA-N,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1",O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,C6H10O5,pos_1_1proton1ammonium,162.05282342,TWNIBLMWSKIRAT,Carbohydrates,Saccharides,Monosaccharides,Lotus tenuis,484504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus tenuis'],6,2,7.0 20847,376,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,TWNIBLMWSKIRAT-VFUOTHLCSA-N,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1",O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,C6H10O5,pos_1_1proton1ammonium,162.05282342,TWNIBLMWSKIRAT,Carbohydrates,Saccharides,Monosaccharides,Lotus filicaulis,653433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus filicaulis'],6,2,7.0 20848,376,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,TWNIBLMWSKIRAT-VFUOTHLCSA-N,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1",O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,C6H10O5,pos_1_1proton1ammonium,162.05282342,TWNIBLMWSKIRAT,Carbohydrates,Saccharides,Monosaccharides,Lotus burttii,152567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus burttii'],6,2,7.0 20849,376,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,TWNIBLMWSKIRAT-VFUOTHLCSA-N,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1",O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,C6H10O5,pos_1_1proton1ammonium,162.05282342,TWNIBLMWSKIRAT,Carbohydrates,Saccharides,Monosaccharides,Lotus creticus,472038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus creticus'],6,2,7.0 20850,376,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,TWNIBLMWSKIRAT-VFUOTHLCSA-N,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1",O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,C6H10O5,pos_1_1proton1ammonium,162.05282342,TWNIBLMWSKIRAT,Carbohydrates,Saccharides,Monosaccharides,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,2,7.0 20851,375,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,NKFNPUQSPATHPN-GFCCVEGCSA-N,"InChI=1S/C18H20O4/c1-5-12(13-8-6-7-9-15(13)19)14-10-17(21-3)18(22-4)11-16(14)20-2/h5-12,19H,1H2,2-4H3/t12-/m1/s1",C=C[C@H](c1ccccc1O)c1cc(OC)c(OC)cc1OC,C18H20O4,pos_1_minus1proton1iron,300.13615912,NKFNPUQSPATHPN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,Dalbergia odorifera,485024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia odorifera'],6,3,7.5 20852,375,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,NKFNPUQSPATHPN-GFCCVEGCSA-N,"InChI=1S/C18H20O4/c1-5-12(13-8-6-7-9-15(13)19)14-10-17(21-3)18(22-4)11-16(14)20-2/h5-12,19H,1H2,2-4H3/t12-/m1/s1",C=C[C@H](c1ccccc1O)c1cc(OC)c(OC)cc1OC,C18H20O4,pos_1_minus1proton1iron,300.13615912,NKFNPUQSPATHPN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,Dalbergia parviflora,3926755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia parviflora'],6,3,7.5 20853,375,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,NKFNPUQSPATHPN-GFCCVEGCSA-N,"InChI=1S/C18H20O4/c1-5-12(13-8-6-7-9-15(13)19)14-10-17(21-3)18(22-4)11-16(14)20-2/h5-12,19H,1H2,2-4H3/t12-/m1/s1",C=C[C@H](c1ccccc1O)c1cc(OC)c(OC)cc1OC,C18H20O4,pos_1_minus1proton1iron,300.13615912,NKFNPUQSPATHPN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,Dalbergia cochinchinensis,786736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia cochinchinensis'],6,3,7.5 20854,375,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,JLUJZVADYBGFMC-CQSZACIVSA-N,"InChI=1S/C18H20O4/c1-5-14(12-7-6-8-13(19)9-12)15-10-17(21-3)18(22-4)11-16(15)20-2/h5-11,14,19H,1H2,2-4H3/t14-/m1/s1",C=C[C@H](c1cccc(O)c1)c1cc(OC)c(OC)cc1OC,C18H20O4,pos_1_minus1proton1iron,300.13615911999995,JLUJZVADYBGFMC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,Dalbergia odorifera,485024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Dalbergia odorifera'],6,3,7.5 20855,375,1576,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,0.0,MS1_match,NARXDKNFDGSLCT-VURMDHGXSA-N,"InChI=1S/C18H20O4/c1-20-16-10-5-4-7-13(16)8-6-9-14-11-12-15(19)18(22-3)17(14)21-2/h4-8,10-12,19H,9H2,1-3H3/b8-6-",COc1ccccc1/C=C\Cc1ccc(O)c(OC)c1OC,C18H20O4,pos_1_minus1proton1iron,300.13615912,NARXDKNFDGSLCT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamoyl phenols,Machaerium mucronulatum,5147647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Machaerium'],['Machaerium mucronulatum'],6,3,7.5 20856,374,-1,,,,0.6014045,ISDB,,,,,,,XMHSSYYKBDBYIO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4056179523468018 20857,372,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ammonium,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,9.0 20858,372,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,C12H16O7,pos_1_1proton1ammonium,272.089602852,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Pyrus pyraster,52112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus pyraster'],9,0,9.0 20859,371,-1,,,,0.0,MS1_match,FTQDQZPPPLNVDC-UHFFFAOYSA-N,"InChI=1S/C12H14O5/c1-7(13)9-5-8(15-2)6-10(16-3)11(9)12(14)17-4/h5-6H,1-4H3",COC(=O)c1c(OC)cc(OC)cc1C(C)=O,C12H14O5,pos_1_1proton1ethylamine,238.084123548,FTQDQZPPPLNVDC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 20860,371,-1,,,,0.0,MS1_match,QFBDDAUATUMNJB-ZXMWOYLUSA-N,"InChI=1S/C14H18O5/c1-9-3-2-4-11(16)14-12(19-14)7-5-10(15)6-8-13(17)18-9/h5-10,12,14-15H,2-4H2,1H3/b7-5-,8-6+/t9-,10+,12+,14-/m0/s1",C[C@H]1CCCC(=O)[C@@H]2O[C@@H]2/C=C\[C@@H](O)/C=C/C(=O)O1,C14H18O5,pos_1_1proton1ammonium,266.115423676,QFBDDAUATUMNJB,Polyketides,Macrolides,Macrolide lactones,Picea rubens,771655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea rubens'],6,0,6.0 20861,368,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1potassium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhynchosia volubilis,3921989.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Rhynchosia'],['Rhynchosia volubilis'],6,0,6.0 20862,368,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1potassium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia nilotica,60610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia nilotica'],6,0,6.0 20863,368,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1potassium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20864,368,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1potassium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20865,368,-1,,,,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1potassium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vachellia tortilis,581630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia tortilis'],6,0,6.0 20866,368,-1,,,,0.0,MS1_match,VGVDLJNNDOFWKT-UHFFFAOYSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2",O=C(OCC1OC(O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1potassium,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 20867,368,-1,,,,0.0,MS1_match,VGVDLJNNDOFWKT-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1potassium,332.0743467119999,VGVDLJNNDOFWKT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 20868,367,1296,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.8300054,ISDB,,,,,,,WGQCKYRWBUZEEG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.320021629333496 20869,364,-1,,,,0.0,MS1_match,KVQQCXYORPHUQU-YDHLFZDLSA-N,"InChI=1S/C16H28O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13,15,17H,5-6,8-10H2,1-4H3/t12-,13-,15-/m0/s1",COC(=O)C1=CC[C@H]([C@@H](C)C[C@@H](O)CC(C)C)CC1,C16H28O3,pos_2MFe,268.203844756,KVQQCXYORPHUQU,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,0,7.0 20870,364,-1,,,,0.0,MS1_match,ZPCDXXMKLPRLRL-MELADBBJSA-N,"InChI=1S/C16H28O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h11-14H,5-10H2,1-4H3/t12-,13-,14+/m0/s1",COC(=O)[C@H]1CC[C@@H]([C@@H](C)CC(=O)CC(C)C)CC1,C16H28O3,pos_2MFe,268.203844756,ZPCDXXMKLPRLRL,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Abies pinsapo,220887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies pinsapo'],7,0,7.0 20871,363,-1,,,,0.0,MS1_match,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C10H13N5O4,pos_1_1proton,267.096753896,OIRDTQYFTABQOQ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 20872,363,-1,,,,0.0,MS1_match,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C10H13N5O4,pos_1_1proton,267.096753896,OIRDTQYFTABQOQ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],6,0,6.0 20873,361,-1,,,,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1proton2acetonitrile,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],6,0,6.0 20874,357,510,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1ethylamine,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,1,7.5 20875,357,510,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1ethylamine,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Pinus mugo,1069751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus mugo'],7,1,7.5 20876,356,1570,,,,0.0,MS1_match,JQVZYONXFQBJLS-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5-2-3-6(7)4-8-5/h5H,2-4H2,1H3",CC1CCC(=O)CO1,C6H10O2,pos_2MHCH3CN,114.06807956,JQVZYONXFQBJLS,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20877,356,1570,,,,0.0,MS1_match,CZEOXNDFAPPJHG-UHFFFAOYSA-N,"InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-4H2,1-2H3",CC1=C(C)OC(=O)CC1,C7H10O2,pos_2MHNH3,126.06807956,CZEOXNDFAPPJHG,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20878,351,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42272553,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Rothmannia globosa,3878139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Rothmannia'],['Rothmannia globosa'],4,1,6.19090211391449 20879,351,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42272553,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Genipa americana,771037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Genipa'],['Genipa americana'],4,1,6.19090211391449 20880,351,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42272553,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia,840077.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Unknown'],4,1,6.19090211391449 20881,351,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42272553,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Apodytes dimidiata,979569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Metteniusales'],['Metteniusaceae'],['Unknown'],['Apodytes'],['Apodytes dimidiata'],4,1,6.19090211391449 20882,351,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42272553,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Garrya elliptica,148281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Garryales'],['Garryaceae'],['Unknown'],['Garrya'],['Garrya elliptica'],4,1,6.19090211391449 20883,351,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42272553,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Eucommia ulmoides,743836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Garryales'],['Eucommiaceae'],['Unknown'],['Eucommia'],['Eucommia ulmoides'],4,1,6.19090211391449 20884,351,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42272553,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Lamium album,332796.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lamieae'],['Lamium'],['Lamium album'],4,1,6.19090211391449 20885,351,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42272553,ISDB,AZKVWQKMDGGDSV-BCMRRPTOSA-N,"InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1",COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12,C11H14O5,,226.084123548,AZKVWQKMDGGDSV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Gardenia jasminoides,919367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Gardenieae'],['Gardenia'],['Gardenia jasminoides'],4,1,6.19090211391449 20886,349,-1,,,,0.0,MS1_match,DXXGHDAWCPTRPU-XOSAIJSUSA-N,"InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/m0/s1",C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCC1=CC(=O)CC[C@@H]12,C17H24O3,pos_1_minus1proton1iron,276.172544628,DXXGHDAWCPTRPU,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 20887,349,-1,,,,0.0,MS1_match,OQWKEEOHDMUXEO-BQYQJAHWSA-N,"InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+",CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1,C17H24O3,pos_1_minus1proton1iron,276.172544628,OQWKEEOHDMUXEO,,,,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 20888,348,-1,,,,0.0,MS1_match,MSWJSDLNPCSSNW-MISYRCLQSA-N,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C,C20H26O3,pos_1_minus1proton1iron,314.188194692,MSWJSDLNPCSSNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Picea morrisonicola,229659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea morrisonicola'],6,0,6.0 20889,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Vachellia sutherlandii,3918221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia sutherlandii'],4,3,7.4354952573776245 20890,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Neviusia alabamensis,782153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Neviusia'],['Neviusia alabamensis'],4,3,7.4354952573776245 20891,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda giraldii,207985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda giraldii'],4,3,7.4354952573776245 20892,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Exochorda serratifolia,717971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Exochorda'],['Exochorda serratifolia'],4,3,7.4354952573776245 20893,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prinsepia uniflora,156920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Prinsepia'],['Prinsepia uniflora'],4,3,7.4354952573776245 20894,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Oemleria cerasiformis,782147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Osmaronieae'],['Oemleria'],['Oemleria cerasiformis'],4,3,7.4354952573776245 20895,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Kerria japonica,432505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Kerria'],['Kerria japonica'],4,3,7.4354952573776245 20896,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],4,3,7.4354952573776245 20897,346,1217,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.4838738,ISDB,FOSRVZARVZHBSO-JVNCHOTKSA-N,"InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1",N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H17NO7,,275.10050188400004,FOSRVZARVZHBSO,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Rhodotypos scandens,156934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Kerrieae'],['Rhodotypos'],['Rhodotypos scandens'],4,3,7.4354952573776245 20898,345,-1,,,,0.0,MS1_match,IJONQLXWTMQRPH-DOMZBBRYSA-N,"InChI=1S/C15H22O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h5-6,10,12H,4,7-9H2,1-3H3,(H,16,17)/t12-,15+/m1/s1",CC(C)[C@H]1CC[C@]2(C)CC=C(C(=O)O)CC=C12,C15H22O2,pos_1_minus1proton1iron,234.161979944,IJONQLXWTMQRPH,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 20899,345,-1,,,,0.0,MS1_match,MROVETGJOLYNJI-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3",C=C(C)C1CCC2(C)C(=C(C)C(=O)CC2O)C1,C15H22O2,pos_1_minus1proton1iron,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pyrus vestita,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 20900,345,-1,,,,0.0,MS1_match,MROVETGJOLYNJI-KCPJHIHWSA-N,"InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14-,15-/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C(=O)C[C@H]2O)C1,C15H22O2,pos_1_minus1proton1iron,234.161979944,MROVETGJOLYNJI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],6,0,6.0 20901,345,-1,,,,0.0,MS1_match,ADQAOLOAIMXAQN-KKUMJFAQSA-N,"InChI=1S/C15H22O2/c1-11(2)14-9-8-13(3)6-4-12(10-16)5-7-15(13,14)17-14/h4,10-11H,5-9H2,1-3H3/t13-,14-,15-/m0/s1",CC(C)[C@@]12CC[C@]3(C)CC=C(C=O)CC[C@]31O2,C15H22O2,pos_1_minus1proton1iron,234.161979944,ADQAOLOAIMXAQN,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 20902,345,-1,,,,0.0,MS1_match,PCZBIBVQEWVBFK-ZNMIVQPWSA-N,"InChI=1S/C15H22O2/c1-11(2)15(17)9-8-14(3)7-6-12(10-16)4-5-13(14)15/h6,10,13,17H,1,4-5,7-9H2,2-3H3/t13-,14+,15-/m0/s1",C=C(C)[C@@]1(O)CC[C@@]2(C)CC=C(C=O)CC[C@@H]21,C15H22O2,pos_1_minus1proton1iron,234.161979944,PCZBIBVQEWVBFK,Terpenoids,Sesquiterpenoids,Isodaucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 20903,345,-1,,,,0.0,MS1_match,OVXAYHNZXBOVPV-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3",C=C1COC(=O)C12CC1CCCC(C)C1(C)C2,C15H22O2,pos_1_minus1proton1iron,234.161979944,OVXAYHNZXBOVPV,Terpenoids,Sesquiterpenoids,Fukinane sesquiterpenoids,Scandosorbus intermedia,7637956.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Scandosorbus'],['Scandosorbus intermedia'],6,0,6.0 20904,345,-1,,,,0.0,MS1_match,XGIXSMYBMGPSNO-IPYPFGDCSA-N,"InChI=1S/C15H22O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h6,12-13H,1,4-5,7-9H2,2-3H3,(H,16,17)/t12-,13+,15+/m1/s1",C=C(C)[C@H]1CC[C@]2(C)CC=C(C(=O)O)CC[C@@H]12,C15H22O2,pos_1_minus1proton1iron,234.161979944,XGIXSMYBMGPSNO,Terpenoids,Sesquiterpenoids,Isodaucane sesquiterpenoids,Rosa rugosa,1054790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa rugosa'],6,0,6.0 20905,343,-1,,,,0.39499682,ISDB,JXIPYOZBOMUUCA-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1cc(O)ccc1O,C9H8O4,,180.042258736,JXIPYOZBOMUUCA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Grevillea robusta,463107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Grevillea'],['Grevillea robusta'],4,0,5.579987287521362 20906,342,1994,Fatty acids,Fatty esters,Lactones,0.0,MS1_match,DISZALCMKPICJS-UHFFFAOYSA-N,"InChI=1S/C7H12O2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3",CCC1OC(=O)CC1C,C7H12O2,pos_1_1proton1ethylamine,128.083729624,DISZALCMKPICJS,Fatty acids,Fatty esters,Lactones,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 20907,339,-1,,,,0.29675475,ISDB,,,,,,,VEFWRRQLXHBREI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1870189905166626 20908,338,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,0,7.0 20909,338,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,0,7.0 20910,338,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,0,7.0 20911,338,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,0,7.0 20912,338,-1,,,,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ethylamine,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,0,7.0 20913,337,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,3,8.5 20914,337,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,8.5 20915,337,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,8.5 20916,337,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,8.5 20917,337,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_1_1proton1ammonium,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,8.5 20918,336,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.25086442,ISDB,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,3,9.50345766544342 20919,336,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.25086442,ISDB,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,9.50345766544342 20920,336,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.25086442,ISDB,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,9.50345766544342 20921,336,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.25086442,ISDB,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,9.50345766544342 20922,336,593,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.25086442,ISDB,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,9.50345766544342 20923,335,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.4660873,ISDB,RADKZDMFGJYCBB-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",Cc1ncc(CO)c(C=O)c1O,C8H9NO3,,167.058243148,RADKZDMFGJYCBB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,7.8643492460250854 20924,334,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20925,334,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Liquidambar orientalis,519500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar orientalis'],7,0,7.0 20926,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Tephrosia purpurea,138659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Tephrosia'],['Tephrosia purpurea'],6,0,6.0 20927,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Pongamia pinnata,170183.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Pongamia'],['Pongamia pinnata'],6,0,6.0 20928,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia pulchra,273760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia pulchra'],6,0,6.0 20929,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Derris ovalifolia,583850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Derris'],['Derris ovalifolia'],6,0,6.0 20930,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia ovalifolia,7633024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia ovalifolia'],6,0,6.0 20931,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia erythrocalyx,5147402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia erythrocalyx'],6,0,6.0 20932,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia sanagana,3920563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia sanagana'],6,0,6.0 20933,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Millettia peguensis,830319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Millettia'],['Millettia peguensis'],6,0,6.0 20934,333,-1,,,,0.0,MS1_match,MOFLQDSFYREAPF-PTNGSMBKSA-N,"InChI=1S/C18H14O3S/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-",COc1c(C(=O)/C=C(\O)c2ccccc2)ccc2sccc12,C18H14O3S,pos_1_1proton1acetonitrile,310.066365308,MOFLQDSFYREAPF,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Dahlstedtia pinnata,869824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Dahlstedtia'],['Dahlstedtia pinnata'],6,0,6.0 20935,332,510,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.0,MS1_match,CZEOXNDFAPPJHG-UHFFFAOYSA-N,"InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-4H2,1-2H3",CC1=C(C)OC(=O)CC1,C7H10O2,pos_1_1proton1ethylamine,126.06807956,CZEOXNDFAPPJHG,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20936,329,464,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,QILSEMOPVAZWLY-DSJRXEMUSA-N,"InChI=1S/C28H46N2O/c1-19(29(5)6)22-13-15-28(4)24-10-9-23-20(16-21(24)12-14-27(22,28)3)8-11-25-26(23,2)17-31-18-30(25)7/h12,16,19,22-25H,8-11,13-15,17-18H2,1-7H3/t19-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]41C)N(C)C,C28H46N2O,pos_2_1magnesium,426.361014092,QILSEMOPVAZWLY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20937,329,464,Terpenoids,Steroids,Pregnane steroids,0.0,MS1_match,OJABFNKICCPMPG-APAUBBSSSA-N,"InChI=1S/C28H46N2O/c1-18(29-19(2)31)22-14-16-28(6)24-11-10-23-20(17-21(24)13-15-27(22,28)5)9-12-25(30(7)8)26(23,3)4/h13,17-18,22-25H,9-12,14-16H2,1-8H3,(H,29,31)/t18-,22+,23+,24+,25-,27+,28-/m0/s1",CC(=O)N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C,C28H46N2O,pos_2_1magnesium,426.361014092,OJABFNKICCPMPG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],8,0,8.0 20938,327,-1,,,,0.5025325,ISDB,,,,,,,PUWHRRRUTHFINT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.010129928588867 20939,324,-1,,,,0.9243673,ISDB,WXOJULRVRHWMGT-JLQSGANNSA-N,"InChI=1S/C11H15N5O4S/c1-21(19)2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-,21?/m1/s1",C[S+]([O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C11H15N5O4S,,313.08447496,WXOJULRVRHWMGT,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Houttuynia cordata,972211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Saururaceae'],['Unknown'],['Houttuynia'],['Houttuynia cordata'],4,0,7.697469234466553 20940,324,-1,,,,0.9243673,ISDB,WXOJULRVRHWMGT-BDXGFHOYSA-N,"InChI=1S/C11H15N5O4S/c1-21(19)2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-,21+/m1/s1",C[S@+]([O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C11H15N5O4S,,313.08447496,WXOJULRVRHWMGT,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Sauropus androgynus,855617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Sauropus'],['Sauropus androgynus'],4,0,7.697469234466553 20941,323,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7906472,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,9.162588834762573 20942,323,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7906472,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Hedera helix,524074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera helix'],6,0,9.162588834762573 20943,320,944,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.20688641,ISDB,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],5,3,7.327545642852783 20944,320,944,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.20688641,ISDB,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],5,3,7.327545642852783 20945,320,944,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.20688641,ISDB,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes uva-crispa,163280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes uva-crispa'],5,3,7.327545642852783 20946,319,944,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.21102981,ISDB,VTURJKQJEXSKNY-GDDAOPKQSA-N,"InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O)C=C(C(=O)O)C[C@H]1O,C16H16O8,,336.0845174719999,VTURJKQJEXSKNY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sarcandra glabra,650198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Sarcandra'],['Sarcandra glabra'],4,3,6.3441192507743835 20947,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola crenulata,1024602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola crenulata'],5,3,9.761297464370728 20948,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Paeonia rockii,360650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Paeoniaceae'],['Unknown'],['Paeonia'],['Paeonia rockii'],5,3,9.761297464370728 20949,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes rubrum,154642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes rubrum'],5,3,9.761297464370728 20950,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes uva-crispa,163280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes uva-crispa'],5,3,9.761297464370728 20951,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola semenovii,668902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola semenovii'],5,3,9.761297464370728 20952,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Kalanchoe tubiflora,956787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe delagoensis'],5,3,9.761297464370728 20953,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Kalanchoe delagoensis,956787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe delagoensis'],5,3,9.761297464370728 20954,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Kalanchoe pinnata,726046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe pinnata'],5,3,9.761297464370728 20955,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ribes nigrum,248647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Grossulariaceae'],['Unknown'],['Ribes'],['Ribes nigrum'],5,3,9.761297464370728 20956,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],5,3,9.761297464370728 20957,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola sacra,311049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sacra'],5,3,9.761297464370728 20958,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola rosea,914930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola rosea'],5,3,9.761297464370728 20959,318,696,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.81532437,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhodiola sachalinensis,581648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sachalinensis'],5,3,9.761297464370728 20960,317,944,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JXOHGGNKMLTUBP-HSUXUTPPSA-N,"InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C7H10O5,pos_2MHCH3CN,174.05282342,JXOHGGNKMLTUBP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Liquidambar styraciflua,62530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Altingiaceae'],['Unknown'],['Liquidambar'],['Liquidambar styraciflua'],7,1,7.5 20961,315,944,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.41640878,ISDB,MQBQGJJLRUWJMZ-URRCMRDSSA-N,"InChI=1S/C16H20O10/c1-24-9-5-7(4-8(18)12(9)20)2-3-11(19)26-16-15(23)14(22)13(21)10(6-17)25-16/h2-5,10,13-18,20-23H,6H2,1H3/b3-2+/t10-,13-,14+,15-,16+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O,C16H20O10,,372.10564684,MQBQGJJLRUWJMZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,7.165635108947754 20962,314,1679,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.60471064,ISDB,ZGMORAIVFRLFQJ-ZCFIWIBFSA-N,"InChI=1S/C10H13NO2/c1-6-9-7(4-5-11-6)2-3-8(12)10(9)13/h2-3,6,11-13H,4-5H2,1H3/t6-/m1/s1",C[C@H]1NCCc2ccc(O)c(O)c21,C10H13NO2,,179.094628656,ZGMORAIVFRLFQJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Mirabilis jalapa,740466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Mirabilis'],['Mirabilis jalapa'],4,3,7.918842554092407 20963,312,154,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6145174,ISDB,QOJNCZPYJHQQOQ-UHFFFAOYSA-N,"InChI=1S/C10H10O5/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8,11H,5H2,(H,12,13)(H,14,15)",O=C(O)c1cccc(CC(O)C(=O)O)c1,C10H10O5,,210.05282342,QOJNCZPYJHQQOQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cerbera manghas,992624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Cerbera'],['Cerbera manghas'],4,1,6.958069562911987 20964,311,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.79222935,ISDB,QFQYZMGOKIROEC-DUXPYHPUSA-N,"InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+",O=C(O)/C=C/c1ccc2c(c1)OCO2,C10H8O4,,192.042258736,QFQYZMGOKIROEC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],4,1,7.668917417526245 20965,311,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.79222935,ISDB,QFQYZMGOKIROEC-DUXPYHPUSA-N,"InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+",O=C(O)/C=C/c1ccc2c(c1)OCO2,C10H8O4,,192.042258736,QFQYZMGOKIROEC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,1,7.668917417526245 20966,311,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.79222935,ISDB,QFQYZMGOKIROEC-DUXPYHPUSA-N,"InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+",O=C(O)/C=C/c1ccc2c(c1)OCO2,C10H8O4,,192.042258736,QFQYZMGOKIROEC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,1,7.668917417526245 20967,311,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.79222935,ISDB,QFQYZMGOKIROEC-DUXPYHPUSA-N,"InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+",O=C(O)/C=C/c1ccc2c(c1)OCO2,C10H8O4,,192.042258736,QFQYZMGOKIROEC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brombya platynema,5233170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Brombya'],['Brombya platynema'],4,1,7.668917417526245 20968,310,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.75431466,ISDB,ALHVSADYXQWYJH-UHFFFAOYSA-N,InChI=1S/C10H6O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-6H,O=Cc1cc2ccccc2c(=O)o1,C10H6O3,,174.031694052,ALHVSADYXQWYJH,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Artemisia campestris,408655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia campestris'],4,1,7.517258644104004 20969,310,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.75431466,ISDB,ALHVSADYXQWYJH-UHFFFAOYSA-N,InChI=1S/C10H6O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-6H,O=Cc1cc2ccccc2c(=O)o1,C10H6O3,,174.031694052,ALHVSADYXQWYJH,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Artemisia dracunculus,1070795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia dracunculus'],4,1,7.517258644104004 20970,309,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6348884,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhodiola sacra,311049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola sacra'],5,1,8.03955364227295 20971,309,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6348884,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Kalanchoe laciniata,3943257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe laciniata'],5,1,8.03955364227295 20972,309,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6348884,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Kalanchoe ceratophylla,5729912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe ceratophylla'],5,1,8.03955364227295 20973,309,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6348884,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhodiola coccinea,5503321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola coccinea'],5,1,8.03955364227295 20974,309,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6348884,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhodiola quadrifida,759840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola quadrifida'],5,1,8.03955364227295 20975,309,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6348884,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Rhodiola heterodonta,762829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Rhodiola'],['Rhodiola heterodonta'],5,1,8.03955364227295 20976,309,28,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6348884,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hylotelephium ewersii,793413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Hylotelephium'],['Hylotelephium ewersii'],5,1,8.03955364227295 20977,307,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_2MMg,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 20978,307,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_2MMg,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 20979,304,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_2_2proton,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 20980,304,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_2_2proton,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Pinus sylvestris,568619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus sylvestris'],6,0,6.0 20981,303,-1,,,,0.0,MS1_match,WNVDKDQMWFSCPI-GVDBMIGSSA-N,"InChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2/t15-,16+,17+/m0/s1",C=CCCCCC[C@@H](O)[C@H](O)CC#CC#C[C@@H](O)C=C,C17H24O3,pos_2MFe,276.172544628,WNVDKDQMWFSCPI,Fatty acids,Fatty acyls,Fatty alcohols,Panax japonicus,160841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax japonicus'],6,0,6.0 20982,303,-1,,,,0.0,MS1_match,WNVDKDQMWFSCPI-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2",C=CCCCCCC(O)C(O)CC#CC#CC(O)C=C,C17H24O3,pos_2MFe,276.172544628,WNVDKDQMWFSCPI,Fatty acids,Fatty acyls,Fatty alcohols,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 20983,303,-1,,,,0.0,MS1_match,SYNBBWLEYQBFQT-NTCAYCPXSA-N,"InChI=1S/C17H24O3/c1-3-5-6-7-11-14-17(20-19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12+",C=CC(O)C#CC#C/C=C/C(CCCCCCC)OO,C17H24O3,pos_2MFe,276.172544628,SYNBBWLEYQBFQT,Fatty acids,Fatty acyls,Fatty alcohols,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 20984,303,-1,,,,0.0,MS1_match,UJQVRPFUQYYCTH-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-3-5-6-7-8-13-16-17(20-16)15(19)12-10-9-11-14(18)4-2/h4,14-19H,2-3,5-8,13H2,1H3",C=CC(O)C#CC#CC(O)C1OC1CCCCCCC,C17H24O3,pos_2MFe,276.172544628,UJQVRPFUQYYCTH,Fatty acids,Fatty acyls,Fatty alcohols,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,0,6.0 20985,299,-1,,,,0.0,MS1_match,LNJHCIKVBCNUSH-UHFFFAOYSA-N,"InChI=1S/C55H62O30/c1-21-43(75-27(7)60)48(85-54-51(80-32(12)65)47(77-29(9)62)42(22(2)70-54)74-26(6)59)50(79-31(11)64)53(69-21)68-20-39-45(76-28(8)61)49(78-30(10)63)52(81-33(13)66)55(83-39)84-46-41(67)40-37(73-25(5)58)18-36(72-24(4)57)19-38(40)82-44(46)34-14-16-35(17-15-34)71-23(3)56/h14-19,21-22,39,42-43,45,47-55H,20H2,1-13H3",CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2OC2OC(COC3OC(C)C(OC(C)=O)C(OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,C55H62O30,pos_2_1magnesium,1202.332590584,LNJHCIKVBCNUSH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus cathartica,904368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus cathartica'],7,0,7.0 20986,296,1760,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6216865,ISDB,KKCDUTBXHFFNMW-DZANFNOSSA-N,"InChI=1S/C14H16O10/c15-5-1-4(2-6(16)10(5)19)9(18)8-12(21)11(20)7(17)3-14(8,24)13(22)23/h1-2,7-8,11-12,15-17,19-21,24H,3H2,(H,22,23)/t7-,8?,11?,12-,14?/m1/s1",O=C(c1cc(O)c(O)c(O)c1)C1[C@@H](O)C(O)[C@H](O)CC1(O)C(=O)O,C14H16O10,,344.074346712,KKCDUTBXHFFNMW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Arctostaphylos uva-ursi,100960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Unknown'],['Arctostaphylos'],['Arctostaphylos uva-ursi'],4,3,7.986746072769165 20987,296,1760,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6216865,ISDB,KKCDUTBXHFFNMW-DZANFNOSSA-N,"InChI=1S/C14H16O10/c15-5-1-4(2-6(16)10(5)19)9(18)8-12(21)11(20)7(17)3-14(8,24)13(22)23/h1-2,7-8,11-12,15-17,19-21,24H,3H2,(H,22,23)/t7-,8?,11?,12-,14?/m1/s1",O=C(c1cc(O)c(O)c(O)c1)C1[C@@H](O)C(O)[C@H](O)CC1(O)C(=O)O,C14H16O10,,344.074346712,KKCDUTBXHFFNMW,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Byrsonima crassifolia,414971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Malpighiaceae'],['Unknown'],['Byrsonima'],['Byrsonima crassifolia'],4,3,7.986746072769165 20988,295,114,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,0.5453926,ISDB,WUMANOURGAZXKZ-MGRQHWMJSA-N,"InChI=1S/C10H17NO3/c1-7(12)14-6-8-2-4-11-5-3-9(13)10(8)11/h8-10,13H,2-6H2,1H3/t8-,9-,10?/m1/s1",CC(=O)OC[C@H]1CCN2CC[C@@H](O)C12,C10H17NO3,,199.120843404,WUMANOURGAZXKZ,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Ipomoea,494853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Unknown'],3,3,6.681570291519165 20989,292,68,Carbohydrates,Saccharides,Disaccharides,0.41700438,ISDB,XDBMXUKHMOFBPJ-VVJJHMBFSA-N,"InChI=1S/C6H8O9S/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-9H,1H2,(H,11,12,13)/t2-,4-/m1/s1",O=C1O[C@H]([C@H](O)CO)C(O)=C1OS(=O)(=O)O,C6H8O9S,,255.988902836,XDBMXUKHMOFBPJ,Polyketides,,,Artemia monica,1089053.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Branchiopoda'],['Anostraca'],['Artemiidae'],['Unknown'],['Artemia'],['Artemia monica'],1,0,2.6680175065994263 20990,292,68,Carbohydrates,Saccharides,Disaccharides,0.41700438,ISDB,XDBMXUKHMOFBPJ-VVJJHMBFSA-N,"InChI=1S/C6H8O9S/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-9H,1H2,(H,11,12,13)/t2-,4-/m1/s1",O=C1O[C@H]([C@H](O)CO)C(O)=C1OS(=O)(=O)O,C6H8O9S,,255.988902836,XDBMXUKHMOFBPJ,Polyketides,,,Artemia franciscana,59094.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Branchiopoda'],['Anostraca'],['Artemiidae'],['Unknown'],['Artemia'],['Artemia franciscana'],1,0,2.6680175065994263 20991,288,-1,,,,0.36662766,ISDB,IPIMCZYGNRWKDI-WDZFZDKYSA-N,"InChI=1S/C15H21NO5/c1-9(13(16)18)6-11-7-12(14(19)21-11)10-2-4-15(20,8-17)5-3-10/h6-7,9-10,17,20H,2-5,8H2,1H3,(H2,16,18)/b11-6-",CC(/C=C1/C=C(C2CCC(O)(CO)CC2)C(=O)O1)C(N)=O,C15H21NO5,,295.141972772,IPIMCZYGNRWKDI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Paraconiothyrium brasiliense,616741.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Montagnulaceae'],['Unknown'],['Paraconiothyrium'],['Paraconiothyrium brasiliense'],1,0,2.4665106534957886 20992,284,-1,,,,0.57804626,ISDB,,,,,,,JMACEDIUUMWDIC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.312185049057007 20993,282,681,Amino acids and Peptides,Small peptides,Aminoacids,0.55954975,ISDB,SFSJZXMDTNDWIX-UHFFFAOYSA-N,"InChI=1S/C6H13NO2S/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",CSCCCC(N)C(=O)O,C6H13NO2S,,163.066699656,SFSJZXMDTNDWIX,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.73819899559021 20994,279,-1,,,,0.0,MS1_match,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",CCc1ccccc1,C8H10,pos_1_1proton2acetonitrile,106.07825032,YNQLUTRBYVCPMQ,Shikimates and Phenylpropanoids,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 20995,277,-1,,,,0.59718245,ISDB,GMYHGDFFXVALJH-UHFFFAOYSA-N,"InChI=1S/C10H10O5/c1-5(11)8-6(10(13)14)3-4-7(12)9(8)15-2/h3-4,12H,1-2H3,(H,13,14)",COc1c(O)ccc(C(=O)O)c1C(C)=O,C10H10O5,,210.05282342,GMYHGDFFXVALJH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Buddleja cordata,83885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja cordata'],4,0,6.388729810714722 20996,274,1177,Amino acids and Peptides,Small peptides,Dipeptides,0.6660942,ISDB,QOLYAJSZHIJCTO-VQVTYTSYSA-N,"InChI=1S/C9H16N2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12H,2-4,10H2,1H3,(H,14,15)/t5-,6+,7+/m1/s1",C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,C9H16N2O4,,216.111006992,QOLYAJSZHIJCTO,Amino acids and Peptides,Small peptides,Dipeptides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,3,5.164376735687256 20997,273,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.28183997,ISDB,AJGXZBAEOZHOEA-PSRSYCBASA-N,"InChI=1S/C7H11NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h2,5H,3,8H2,1H3,(H,9,10)(H,11,12)/b4-2-/t5-/m0/s1",C/C=C(/C[C@H](N)C(=O)O)C(=O)O,C7H11NO4,,173.068807832,AJGXZBAEOZHOEA,Amino acids and Peptides,Small peptides,Aminoacids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,8.627359867095947 20998,273,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.28183997,ISDB,AJGXZBAEOZHOEA-PSRSYCBASA-N,"InChI=1S/C7H11NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h2,5H,3,8H2,1H3,(H,9,10)(H,11,12)/b4-2-/t5-/m0/s1",C/C=C(/C[C@H](N)C(=O)O)C(=O)O,C7H11NO4,,173.068807832,AJGXZBAEOZHOEA,Amino acids and Peptides,Small peptides,Aminoacids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],6,3,8.627359867095947 20999,273,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.28183997,ISDB,AJGXZBAEOZHOEA-PSRSYCBASA-N,"InChI=1S/C7H11NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h2,5H,3,8H2,1H3,(H,9,10)(H,11,12)/b4-2-/t5-/m0/s1",C/C=C(/C[C@H](N)C(=O)O)C(=O)O,C7H11NO4,,173.068807832,AJGXZBAEOZHOEA,Amino acids and Peptides,Small peptides,Aminoacids,Guilandina crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],6,3,8.627359867095947 21000,273,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.28183997,ISDB,AJGXZBAEOZHOEA-FYTLMZHYSA-N,"InChI=1S/C7H11NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h2,5H,3,8H2,1H3,(H,9,10)(H,11,12)/b4-2+/t5-/m0/s1",C/C=C(\C[C@H](N)C(=O)O)C(=O)O,C7H11NO4,,173.068807832,AJGXZBAEOZHOEA,Amino acids and Peptides,Small peptides,Aminoacids,Tetrapleura tetraptera,213992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Tetrapleura'],['Tetrapleura tetraptera'],6,3,8.627359867095947 21001,272,-1,,,,0.0,MS1_match,IMKJGXCIJJXALX-SHUKQUCYSA-N,"InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1",CC1(C)CCC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12,C16H26O2,pos_1_minus1proton1iron,250.193280072,IMKJGXCIJJXALX,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],6,0,6.0 21002,271,-1,,,,0.41245767,ISDB,RGZHEOWNTDJLAQ-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H",O=Cc1cc(O)c(O)c(O)c1,C7H6O4,,154.026608672,RGZHEOWNTDJLAQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,0,5.64983069896698 21003,271,-1,,,,0.41245767,ISDB,RGZHEOWNTDJLAQ-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H",O=Cc1cc(O)c(O)c(O)c1,C7H6O4,,154.026608672,RGZHEOWNTDJLAQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Geum macrophyllum,141384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum macrophyllum'],4,0,5.64983069896698 21004,271,-1,,,,0.41245767,ISDB,RGZHEOWNTDJLAQ-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H",O=Cc1cc(O)c(O)c(O)c1,C7H6O4,,154.026608672,RGZHEOWNTDJLAQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Geum japonicum,149340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum japonicum'],4,0,5.64983069896698 21005,271,-1,,,,0.41245767,ISDB,RGZHEOWNTDJLAQ-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H",O=Cc1cc(O)c(O)c(O)c1,C7H6O4,,154.026608672,RGZHEOWNTDJLAQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Lens culinaris,156245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lens'],['Lens culinaris'],4,0,5.64983069896698 21006,269,-1,,,,0.48296264,ISDB,,,,,,,GKNXKVFCNOWHDA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.931850552558899 21007,268,-1,,,,0.0,MS1_match,AOXMCWFZPZRDPE-RKQHYHRCSA-N,"InChI=1S/C14H18O8/c1-6(16)7-2-3-8(17)9(4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H18O8,pos_1_1proton1ammonium,314.100167536,AOXMCWFZPZRDPE,,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 21008,268,-1,,,,0.0,MS1_match,AOXMCWFZPZRDPE-RKQHYHRCSA-N,"InChI=1S/C14H18O8/c1-6(16)7-2-3-8(17)9(4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H18O8,pos_1_1proton1ammonium,314.100167536,AOXMCWFZPZRDPE,,,,Picea obovata,36932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea obovata'],6,0,6.0 21009,268,-1,,,,0.0,MS1_match,AOXMCWFZPZRDPE-RKQHYHRCSA-N,"InChI=1S/C14H18O8/c1-6(16)7-2-3-8(17)9(4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C14H18O8,pos_1_1proton1ammonium,314.100167536,AOXMCWFZPZRDPE,,,,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 21010,268,-1,,,,0.0,MS1_match,DDMBYMQDYQAZRZ-RKQHYHRCSA-N,"InChI=1S/C14H18O8/c1-6(16)7-2-3-9(8(17)4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1",CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C14H18O8,pos_1_1proton1ammonium,314.100167536,DDMBYMQDYQAZRZ,,,,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 21011,268,-1,,,,0.0,MS1_match,ITSGGSZQQLOKQY-RKQHYHRCSA-N,"InChI=1S/C14H18O8/c15-5-10-11(18)12(19)13(20)14(22-10)21-6-9(17)7-1-3-8(16)4-2-7/h1-4,10-16,18-20H,5-6H2/t10-,11-,12+,13-,14-/m1/s1",O=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1,C14H18O8,pos_1_1proton1ammonium,314.100167536,ITSGGSZQQLOKQY,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 21012,267,434,,,,0.23674236,ISDB,,,,,,,VRQRPHWYFHBBRW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9469694495201111 21013,266,-1,,,,0.0,MS1_match,ZRSNZINYAWTAHE-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",COc1ccc(C=O)cc1,C8H8O2,pos_1_1proton,136.052429496,ZRSNZINYAWTAHE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cryptocarya agathophylla,6025872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya agathophylla'],6,0,6.0 21014,266,-1,,,,0.0,MS1_match,PKIYLOACOOWBCU-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-18-13-9-6-10-14(19-2)15(13)16(17)20-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3",COc1cccc(OC)c1C(=O)OCc1ccccc1,C16H16O4,pos_2_2proton,272.104858992,PKIYLOACOOWBCU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],6,0,6.0 21015,266,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_2_2proton,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Cryptocarya idenburgensis,6025980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya idenburgensis'],6,0,6.0 21016,266,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_2_2proton,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,0,6.0 21017,266,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_2_2proton,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,0,6.0 21018,263,1883,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.64178836,ISDB,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,11.067153453826904 21019,259,-1,,,,0.0,MS1_match,OOSLHKAKZTXLFK-LHNRBYRGSA-N,"InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)19-17(16)18/h3,12-15H,1,4-11H2,2H3/b13-12+/t15-/m0/s1",C=CCCCCCCCC/C=C/C1=C[C@H](C)OC1=O,C17H26O2,pos_2_2sodium,262.193280072,OOSLHKAKZTXLFK,Polyketides,Linear polyketides,Acetogenins,Litsea japonica,706100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea japonica'],6,0,6.0 21020,259,-1,,,,0.0,MS1_match,CMCYMPCWZGFFJZ-UHFFFAOYSA-N,"InChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)10(13)12(16-4)11(8)15-3/h5,7,13H,1,6H2,2-4H3",C=CCc1cc(OC)c(O)c(OC)c1OC,C12H16O4,pos_2_2proton2acetonitrile,224.104858992,CMCYMPCWZGFFJZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Mespilodaphne cymbarum,5919677.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Mespilodaphne'],['Mespilodaphne cymbarum'],6,0,6.0 21021,259,-1,,,,0.0,MS1_match,DCKJTOQHNMSFBW-MADCSZMMSA-N,"InChI=1S/C12H16O4/c1-7(8(2)13)12(15)9-4-5-10(14)11(6-9)16-3/h4-7,12,14-15H,1-3H3/t7-,12-/m0/s1",COc1cc([C@@H](O)[C@@H](C)C(C)=O)ccc1O,C12H16O4,pos_2_2proton2acetonitrile,224.104858992,DCKJTOQHNMSFBW,Polyketides,,,Machilus wangchiana,587977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Machilus'],['Machilus wangchiana'],6,0,6.0 21022,259,-1,,,,0.0,MS1_match,HZDDMDAKGIRCPP-UHFFFAOYSA-N,"InChI=1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3",COc1cc(C=CCO)cc(OC)c1OC,C12H16O4,pos_2_2proton2acetonitrile,224.104858992,HZDDMDAKGIRCPP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Litsea cubeba,607152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea cubeba'],6,0,6.0 21023,259,-1,,,,0.0,MS1_match,ZRSNZINYAWTAHE-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",COc1ccc(C=O)cc1,C8H8O2,pos_1_1proton1ammonium,136.052429496,ZRSNZINYAWTAHE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cryptocarya agathophylla,6025872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya agathophylla'],6,0,6.0 21024,258,1177,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,UWSUKJWIFMJXOB-UFSQPUPSSA-N,"InChI=1S/C29H44O4/c1-16(2)18-7-12-29(25(32)33)14-13-27(5)20(23(18)29)15-22(31)24-26(4)10-9-21(30)17(3)19(26)8-11-28(24,27)6/h17-20,22-24,31H,1,7-15H2,2-6H3,(H,32,33)/t17-,18-,19-,20+,22+,23+,24+,26-,27+,28+,29-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CCC(=O)[C@@H](C)[C@@H]5CC[C@]43C)[C@@H]12,C29H44O4,pos_2_1iron,456.323959888,UWSUKJWIFMJXOB,Terpenoids,Triterpenoids,Lupane triterpenoids,Eleutherococcus trifoliatus,532569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus trifoliatus'],7,0,7.0 21025,254,1320,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LRAFKVQWVKKBJQ-UHFFFAOYSA-N,"InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-16(20)11-15(13-18)12-17(21)14-19/h2,15-21H,1,3-14H2",C=CCCCCCCCCC(O)CC(CO)CC(O)CO,C17H34O4,pos_2_2sodium,302.245709568,LRAFKVQWVKKBJQ,Fatty acids,Fatty acyls,Fatty alcohols,Sextonia rubra,424385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sextonia'],['Sextonia rubra'],6,3,7.5 21026,253,-1,,,,0.6045181,ISDB,,,,,,,RESUGNQLQMTSBH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.418072462081909 21027,252,2045,Amino acids and Peptides,Diterpenoids,Gibberellins,0.3012159,ISDB,WKTPEUFZYFCNLY-LURJTMIESA-N,"InChI=1S/C8H13NO4/c1-2-3-5(7(10)11)4-6(9)8(12)13/h3,6H,2,4,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1",CCC=C(C[C@H](N)C(=O)O)C(=O)O,C8H13NO4,,187.084457896,WKTPEUFZYFCNLY,Amino acids and Peptides,Small peptides,Aminoacids,Mycena pura,314982.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Mycenaceae'],['Unknown'],['Mycena'],['Mycena pura'],1,1,2.7048635482788086 21028,251,1076,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,KMPQYAYAQWNLME-UHFFFAOYSA-N,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3",CCCCCCCCCCC=O,C11H22O,pos_1_minus1proton2sodium,170.167065324,KMPQYAYAQWNLME,Fatty acids,Fatty acyls,Fatty aldehydes,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],9,1,9.5 21029,248,-1,,,,0.0,MS1_match,YFBKETOOUCGSLU-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-2-16-12(14)6-4-9-3-5-11-10(13(9)15)7-8-17-11/h3,5,7-8,15H,2,4,6H2,1H3",CCOC(=O)CCc1ccc2occc2c1O,C13H14O4,pos_2_2sodium,234.089208928,YFBKETOOUCGSLU,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 21030,248,-1,,,,0.0,MS1_match,YFBKETOOUCGSLU-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-2-16-12(14)6-4-9-3-5-11-10(13(9)15)7-8-17-11/h3,5,7-8,15H,2,4,6H2,1H3",CCOC(=O)CCc1ccc2occc2c1O,C13H14O4,pos_2_2sodium,234.089208928,YFBKETOOUCGSLU,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 21031,248,-1,,,,0.0,MS1_match,VBESYWCNIGAWEF-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-2-16-13(15)4-3-9-7-10-5-6-17-12(10)8-11(9)14/h5-8,14H,2-4H2,1H3",CCOC(=O)CCc1cc2ccoc2cc1O,C13H14O4,pos_2_2sodium,234.089208928,VBESYWCNIGAWEF,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolia,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 21032,248,-1,,,,0.0,MS1_match,VBESYWCNIGAWEF-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-2-16-13(15)4-3-9-7-10-5-6-17-12(10)8-11(9)14/h5-8,14H,2-4H2,1H3",CCOC(=O)CCc1cc2ccoc2cc1O,C13H14O4,pos_2_2sodium,234.089208928,VBESYWCNIGAWEF,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cullen corylifolium,541330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Psoraleeae'],['Cullen'],['Cullen corylifolium'],6,0,6.0 21033,248,-1,,,,0.0,MS1_match,ZYCNQWOKCMJKEZ-QMMMGPOBSA-N,"InChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3/t8-/m0/s1",Cc1cc(O)cc2oc(C[C@H](C)O)cc(=O)c12,C13H14O4,pos_2_2sodium,234.089208928,ZYCNQWOKCMJKEZ,Polyketides,Chromanes,Chromones,Cassia fistula,959676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia fistula'],6,0,6.0 21034,248,-1,,,,0.0,MS1_match,ZOZFWGRBTVIDDD-UHFFFAOYSA-N,"InChI=1S/C13H14O4/c1-4-8-7-17-11-6-9(15-2)5-10(16-3)12(11)13(8)14/h5-7H,4H2,1-3H3",CCc1coc2cc(OC)cc(OC)c2c1=O,C13H14O4,pos_2_2sodium,234.089208928,ZOZFWGRBTVIDDD,Polyketides,Chromanes,Chromones,Lathyrus odoratus,1036603.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus odoratus'],6,0,6.0 21035,248,-1,,,,0.0,MS1_match,QFMKUXGVPTZSND-UHFFFAOYSA-N,"InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1,3H,2H2,(H,9,10)",O=C1CC=C(C(=O)O)C=N1,C6H5NO3,pos_1_1proton,139.02694302,QFMKUXGVPTZSND,,,,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 21036,246,272,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GYCKQBWUSACYIF-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",CCOC(=O)c1ccccc1O,C9H10O3,pos_1_minus1proton2potassium,166.06299418,GYCKQBWUSACYIF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Geum heterocarpum,829920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Colurieae'],['Geum'],['Geum heterocarpum'],6,3,7.5 21037,245,1076,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1sodium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,3,8.5 21038,245,1076,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1sodium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pyrus communis,972654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Pyrus communis'],7,3,8.5 21039,244,1051,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,ODBLHEXUDAPZAU-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)",O=C(O)CC(C(=O)O)C(O)C(=O)O,C6H8O7,pos_1_1proton1ammonium,192.027002596,ODBLHEXUDAPZAU,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,3,8.5 21040,239,1994,Fatty acids,Fatty esters,Lactones,0.0,MS1_match,DISZALCMKPICJS-UHFFFAOYSA-N,"InChI=1S/C7H12O2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3",CCC1OC(=O)CC1C,C7H12O2,pos_1_1proton1ethylamine,128.083729624,DISZALCMKPICJS,Fatty acids,Fatty esters,Lactones,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,8.5 21041,238,510,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.0,MS1_match,BWXDELRNNYLLKB-APPZFPTMSA-N,"InChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3/t7-,9+/m1/s1",C[C@]12CCC[C@H](CC(=O)C1)N2,C9H15NO,pos_1_1proton,153.1153641,BWXDELRNNYLLKB,Alkaloids,Lysine alkaloids,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,8.0 21042,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Indigofera pilosa,3922867.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera pilosa'],4,3,8.778400182723999 21043,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Cocos nucifera,366250.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Cocoseae'],['Cocos'],['Cocos nucifera'],4,3,8.778400182723999 21044,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Tacca cristata,1050076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Taccaceae'],['Unknown'],['Tacca'],['Tacca integrifolia'],4,3,8.778400182723999 21045,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Alpinia purpurata,573266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia purpurata'],4,3,8.778400182723999 21046,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Hydrilla verticillata,332061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Hydrocharitaceae'],['Unknown'],['Hydrilla'],['Hydrilla verticillata'],4,3,8.778400182723999 21047,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Sagittaria sagittifolia,481954.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Alismataceae'],['Unknown'],['Sagittaria'],['Sagittaria sagittifolia'],4,3,8.778400182723999 21048,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Donax grandis,228549.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Marantaceae'],['Unknown'],['Donax'],['Donax grandis'],4,3,8.778400182723999 21049,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Areca catechu,180819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Areceae'],['Areca'],['Areca catechu'],4,3,8.778400182723999 21050,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Gloriosa superba,82472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Colchicaceae'],['Unknown'],['Gloriosa'],['Gloriosa superba'],4,3,8.778400182723999 21051,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Cyperus aromaticus,3959943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus aromaticus'],4,3,8.778400182723999 21052,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Dendrobium crumenatum,1008721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Malaxideae'],['Dendrobium'],['Dendrobium crumenatum'],4,3,8.778400182723999 21053,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Alpinia galanga,1063872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia galanga'],4,3,8.778400182723999 21054,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Eichhornia crassipes,149965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Pontederiaceae'],['Unknown'],['Eichhornia'],['Eichhornia crassipes'],4,3,8.778400182723999 21055,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Epipremnum pinnatum,473049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Monstereae'],['Epipremnum'],['Epipremnum pinnatum'],4,3,8.778400182723999 21056,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Tacca integrifolia,1050076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Taccaceae'],['Unknown'],['Tacca'],['Tacca integrifolia'],4,3,8.778400182723999 21057,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Pandanus odorifer,266217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Pandanaceae'],['Unknown'],['Pandanus'],['Pandanus odorifer'],4,3,8.778400182723999 21058,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Indigofera hirsuta,1011944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera hirsuta'],4,3,8.778400182723999 21059,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Indigofera schimperi,306750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Indigofereae'],['Indigofera'],['Indigofera schimperi'],4,3,8.778400182723999 21060,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,8.778400182723999 21061,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Oncidium,137617.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Cymbidieae'],['Oncidium'],['Unknown'],4,3,8.778400182723999 21062,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,8.778400182723999 21063,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Archontophoenix alexandrae,470310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Arecales'],['Arecaceae'],['Areceae'],['Archontophoenix'],['Archontophoenix alexandrae'],4,3,8.778400182723999 21064,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-SCSAIBSYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",CSCC[C@@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Calendula officinalis,768229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Calendula'],['Calendula officinalis'],4,3,8.778400182723999 21065,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-SCSAIBSYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",CSCC[C@@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Phyllostachys nigra,371271.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys nigra'],4,3,8.778400182723999 21066,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-SCSAIBSYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",CSCC[C@@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Juncus roemerianus,3964781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus roemerianus'],4,3,8.778400182723999 21067,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],4,3,8.778400182723999 21068,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,8.778400182723999 21069,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Astragalus hamosus,626803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Astragalus'],['Astragalus hamosus'],4,3,8.778400182723999 21070,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-SCSAIBSYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",CSCC[C@@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Jatropha gossypiifolia,610105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha gossypiifolia'],4,3,8.778400182723999 21071,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,8.778400182723999 21072,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Stellaria media,432718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria media'],4,3,8.778400182723999 21073,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,3,8.778400182723999 21074,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Treculia africana,1090387.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Treculia'],['Treculia africana'],4,3,8.778400182723999 21075,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-SCSAIBSYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",CSCC[C@@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Spermacoce pusilla,3871913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Spermacoceae'],['Spermacoce'],['Spermacoce pusilla'],4,3,8.778400182723999 21076,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Senna obtusifolia,335059.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna obtusifolia'],4,3,8.778400182723999 21077,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Stachys officinalis,103745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Betonica'],['Betonica officinalis'],4,3,8.778400182723999 21078,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,3,8.778400182723999 21079,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Salvia hispanica,1025159.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia hispanica'],4,3,8.778400182723999 21080,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Sida hermaphrodita,61566.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sida'],['Sida hermaphrodita'],4,3,8.778400182723999 21081,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Allium rotundum,258933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium rotundum'],4,3,8.778400182723999 21082,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,3,8.778400182723999 21083,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Pentaclethra macrophylla,788558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Pentaclethra'],['Pentaclethra macrophylla'],4,3,8.778400182723999 21084,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-UHFFFAOYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",CSCCC(N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Juncus effusus,26727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus effusus'],4,3,8.778400182723999 21085,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Cnestis palala,5748972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Connaraceae'],['Unknown'],['Cnestis'],['Cnestis palala'],4,3,8.778400182723999 21086,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.778400182723999 21087,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-UHFFFAOYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",CSCCC(N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,8.778400182723999 21088,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Psophocarpus tetragonolobus,116244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Psophocarpus'],['Psophocarpus tetragonolobus'],4,3,8.778400182723999 21089,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Castanea sativa,1028994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Castanea'],['Castanea sativa'],4,3,8.778400182723999 21090,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Opuntia ficus-indica,396274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Unknown'],['Opuntia'],['Opuntia ficus-indica'],4,3,8.778400182723999 21091,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,8.778400182723999 21092,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],4,3,8.778400182723999 21093,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-UHFFFAOYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",CSCCC(N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,8.778400182723999 21094,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,8.778400182723999 21095,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-UHFFFAOYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",CSCCC(N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,8.778400182723999 21096,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,3,8.778400182723999 21097,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,3,8.778400182723999 21098,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-UHFFFAOYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",CSCCC(N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],4,3,8.778400182723999 21099,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,8.778400182723999 21100,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,8.778400182723999 21101,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",CSCC[C@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,8.778400182723999 21102,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-UHFFFAOYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",CSCCC(N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.778400182723999 21103,237,681,Amino acids and Peptides,Small peptides,Aminoacids,0.81960005,ISDB,FFEARJCKVFRZRR-SCSAIBSYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",CSCC[C@@H](N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Suaeda aegyptiaca,737778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Suaeda'],['Suaeda aegyptiaca'],4,3,8.778400182723999 21104,236,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2_1magnesium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21105,236,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2_1magnesium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21106,236,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2_1magnesium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21107,236,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2_1magnesium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21108,236,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_2_1magnesium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21109,234,-1,,,,0.0,MS1_match,LGPUIKWJKFIAIH-LJKDYDQHSA-N,"InChI=1S/C26H30N2O12/c27-9-15(13-5-2-1-3-6-13)38-26-23(34)21(32)19(30)17(40-26)12-37-25-22(33)20(31)18(29)16(39-25)11-36-24(35)14-7-4-8-28-10-14/h1-8,10,15-23,25-26,29-34H,11-12H2/t15-,16+,17+,18+,19+,20-,21-,22+,23+,25+,26+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3cccnc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,C26H30N2O12,pos_3_1proton2sodium,562.1798743999999,LGPUIKWJKFIAIH,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Prunus davidiana,821203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus davidiana'],8,0,8.0 21110,234,-1,,,,0.0,MS1_match,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,pos_1_1proton1methanol,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 21111,234,-1,,,,0.0,MS1_match,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,pos_1_1proton1methanol,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 21112,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,9.121331453323364 21113,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.121331453323364 21114,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],4,3,9.121331453323364 21115,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,9.121331453323364 21116,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],4,3,9.121331453323364 21117,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.121331453323364 21118,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,9.121331453323364 21119,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.121331453323364 21120,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,9.121331453323364 21121,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,3,9.121331453323364 21122,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,9.121331453323364 21123,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,9.121331453323364 21124,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-UHFFFAOYSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)",NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Rauvolfia serpentina,1050238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Rauvolfia'],['Rauvolfia serpentina'],4,3,9.121331453323364 21125,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.121331453323364 21126,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,9.121331453323364 21127,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,9.121331453323364 21128,227,834,Amino acids and Peptides,Small peptides,Tripeptides,0.90533286,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,9.121331453323364 21129,224,1767,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,0.6873054,ISDB,KQMSOYQGGOVLMM-PTJAYKTNSA-N,"InChI=1S/C13H22N2O6/c1-8(17)5-14-9-3-13(20,7-16)4-10(12(9)21-2)15-6-11(18)19/h8,15-17,20H,3-7H2,1-2H3,(H,18,19)/b14-9+/t8-,13+/m0/s1",COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\C[C@H](C)O,C13H22N2O6,,302.147786424,KQMSOYQGGOVLMM,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Aplysia californica,51009.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Anaspidea'],['Aplysiidae'],['Unknown'],['Aplysia'],['Aplysia californica'],1,3,5.249221563339233 21130,217,-1,,,,0.0,MS1_match,SZHOJFHSIKHZHA-UHFFFAOYSA-N,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",CCCCCCCCCCCCC(=O)O,C13H26O2,pos_2_2sodium,214.193280072,SZHOJFHSIKHZHA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 21131,213,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,8.5 21132,213,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,8.5 21133,213,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,8.5 21134,213,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,8.5 21135,213,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,3,8.5 21136,211,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,3,7.5 21137,211,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 21138,211,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,3,7.5 21139,210,-1,,,,0.0,MS1_match,YBLJYSTXRAWBBH-WLDMJGECSA-N,"InChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3-,4-,5+,6-,7?/m1/s1",CC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1sodium,194.079038168,YBLJYSTXRAWBBH,Carbohydrates,Saccharides,Monosaccharides,Rubus ulmifolius,618036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus ulmifolius'],6,0,6.0 21140,210,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa laevigata,383273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa laevigata'],6,0,6.0 21141,210,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-XUUWZHRGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa hybrida,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,0,6.0 21142,210,-1,,,,0.0,MS1_match,HOVAGTYPODGVJG-ZYNSJIGGSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1",CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1sodium,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Rosa polliniana,3905012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa hybrid cultivar'],6,0,6.0 21143,210,-1,,,,0.0,MS1_match,ACTKFDMFHYIKRY-UHFFFAOYSA-N,"InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3",CC1=CC=CCCC(C)=CCC1,C12H18,pos_1_minus1proton1iron,162.140850576,ACTKFDMFHYIKRY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Rubus rosifolius,714548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus rosifolius'],6,0,6.0 21144,208,-1,,,,0.0,MS1_match,IZIOGYPZZKPZLM-UHFFFAOYSA-N,"InChI=1S/C19H25NO3/c21-17-9-6-15(7-10-17)8-11-19(22)23-14-16-4-3-13-20-12-2-1-5-18(16)20/h6-11,16,18,21H,1-5,12-14H2",O=C(C=Cc1ccc(O)cc1)OCC1CCCN2CCCCC12,C19H25NO3,pos_1_minus1proton1iron,315.18344366,IZIOGYPZZKPZLM,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lupinus luteus,1086811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus luteus'],6,0,6.0 21145,208,-1,,,,0.0,MS1_match,IZIOGYPZZKPZLM-VTGMHELGSA-N,"InChI=1S/C19H25NO3/c21-17-9-6-15(7-10-17)8-11-19(22)23-14-16-4-3-13-20-12-2-1-5-18(16)20/h6-11,16,18,21H,1-5,12-14H2/b11-8+/t16-,18-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1CCCN2CCCC[C@H]12,C19H25NO3,pos_1_minus1proton1iron,315.18344366,IZIOGYPZZKPZLM,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lupinus pilosus,902815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus pilosus'],6,0,6.0 21146,208,-1,,,,0.0,MS1_match,IZIOGYPZZKPZLM-VTGMHELGSA-N,"InChI=1S/C19H25NO3/c21-17-9-6-15(7-10-17)8-11-19(22)23-14-16-4-3-13-20-12-2-1-5-18(16)20/h6-11,16,18,21H,1-5,12-14H2/b11-8+/t16-,18-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1CCCN2CCCC[C@H]12,C19H25NO3,pos_1_minus1proton1iron,315.18344366,IZIOGYPZZKPZLM,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lupinus hirsutus,902830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus micranthus'],6,0,6.0 21147,208,-1,,,,0.0,MS1_match,IZIOGYPZZKPZLM-VTGMHELGSA-N,"InChI=1S/C19H25NO3/c21-17-9-6-15(7-10-17)8-11-19(22)23-14-16-4-3-13-20-12-2-1-5-18(16)20/h6-11,16,18,21H,1-5,12-14H2/b11-8+/t16-,18-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1CCCN2CCCC[C@H]12,C19H25NO3,pos_1_minus1proton1iron,315.18344366,IZIOGYPZZKPZLM,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lupinus micranthus,902830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus micranthus'],6,0,6.0 21148,208,-1,,,,0.0,MS1_match,IZIOGYPZZKPZLM-VTGMHELGSA-N,"InChI=1S/C19H25NO3/c21-17-9-6-15(7-10-17)8-11-19(22)23-14-16-4-3-13-20-12-2-1-5-18(16)20/h6-11,16,18,21H,1-5,12-14H2/b11-8+/t16-,18-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1CCCN2CCCC[C@H]12,C19H25NO3,pos_1_minus1proton1iron,315.18344366,IZIOGYPZZKPZLM,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lupinus polycarpus,1065704.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Lupinus'],['Lupinus bicolor'],6,0,6.0 21149,206,-1,,,,0.0,MS1_match,HANDMAIZTZRPTQ-WGLSOIFHSA-N,"InChI=1S/C10H18O9/c11-1-3-5(12)8(15)10(19-3)17-2-4-6(13)7(14)9(16)18-4/h3-16H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10+/m0/s1",OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C10H18O9,pos_1_1proton2acetonitrile,282.095082156,HANDMAIZTZRPTQ,Carbohydrates,Saccharides,Disaccharides,Virgilia oroboides,761236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Virgilia'],['Virgilia oroboides'],6,0,6.0 21150,206,-1,,,,0.0,MS1_match,NXRFRJQIYCYJKT-QRSKNPGTSA-N,"InChI=1S/C10H18O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9-,10-/m1/s1",O[C@@H]1[C@@H](O)[C@@H](OC[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O,C10H18O9,pos_1_1proton2acetonitrile,282.095082156,NXRFRJQIYCYJKT,Carbohydrates,Saccharides,Disaccharides,Virgilia oroboides,761236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Virgilia'],['Virgilia oroboides'],6,0,6.0 21151,206,-1,,,,0.0,MS1_match,ODBYQUUVPXHMFN-NGNVQRCTSA-N,"InChI=1S/C10H18O9/c11-1-3-5(13)6(14)10(18-3)19-8-4(2-12)17-9(16)7(8)15/h3-16H,1-2H2/t3-,4-,5-,6+,7+,8-,9-,10-/m0/s1",OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H]2CO)[C@H](O)[C@H]1O,C10H18O9,pos_1_1proton2acetonitrile,282.095082156,ODBYQUUVPXHMFN,Carbohydrates,Saccharides,Disaccharides,Virgilia oroboides,761236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Virgilia'],['Virgilia oroboides'],6,0,6.0 21152,206,-1,,,,0.0,MS1_match,XAQWBYJKZNCZPL-UYUKGWRGSA-N,"InChI=1S/C10H18O9/c11-1-4-5(13)6(14)10(18-4)19-8-3(12)2-17-9(16)7(8)15/h3-16H,1-2H2/t3-,4-,5-,6+,7+,8-,9+,10+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)OC[C@@H]2O)[C@H](O)[C@H]1O,C10H18O9,pos_1_1proton2acetonitrile,282.095082156,XAQWBYJKZNCZPL,Carbohydrates,Saccharides,Disaccharides,Anadenanthera colubrina,809560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Anadenanthera'],['Anadenanthera colubrina'],6,0,6.0 21153,205,-1,,,,0.0,MS1_match,STWIWFKLJRTTSX-UHFFFAOYSA-N,"InChI=1S/C21H20O4/c1-11-19-14(7-8-21(2,3)25-19)13-6-5-12-9-16(22)17(23)10-15(12)18(13)20(11)24-4/h5-10,22-23H,1-4H3",COc1c(C)c2c(c3ccc4cc(O)c(O)cc4c13)C=CC(C)(C)O2,C21H20O4,pos_2MMg,336.13615912,STWIWFKLJRTTSX,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Bauhinia rufescens,629866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufescens'],7,0,7.0 21154,197,-1,,,,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_2MFe,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Abies balsamea,883527.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies balsamea'],6,0,6.0 21155,196,-1,,,,0.0,MS1_match,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,pos_1_1proton1dmso,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Picea smithiana,39085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea smithiana'],6,0,6.0 21156,196,-1,,,,0.0,MS1_match,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,C15H10O4,pos_1_1proton1dmso,254.0579088,RTIXKCRFFJGDFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 21157,190,-1,,,,0.0,MS1_match,FZELAUWRSAKWRF-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-16-13-9-12(11-7-5-4-6-8-11)10-14(17-2)15(13)18-3/h4-10H,1-3H3",COc1cc(-c2ccccc2)cc(OC)c1OC,C15H16O3,pos_2MMg,244.109944372,FZELAUWRSAKWRF,Shikimates and Phenylpropanoids,Terphenyls,p-Terphenyls,Sorbus decora,426112.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus decora'],6,0,6.0 21158,186,-1,,,,0.69174063,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Sophora chrysophylla,437451.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora chrysophylla'],3,0,5.76696252822876 21159,186,-1,,,,0.69174063,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex densus,529635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex densus'],3,0,5.76696252822876 21160,186,-1,,,,0.69174063,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex eriocladus,187698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex parviflorus'],3,0,5.76696252822876 21161,186,-1,,,,0.69174063,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex minor,664542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex minor'],3,0,5.76696252822876 21162,186,-1,,,,0.69174063,ISDB,ZZHSEFNKICJBHK-YIYPIFLZSA-N,"InChI=1S/C15H26N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h11-14,18H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m1/s1",O=C1CCC[C@@H]([C@@H]2C[C@H](CO)[C@H]3CCCCN3C2)N1,C15H26N2O2,,266.199428072,ZZHSEFNKICJBHK,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Ulex australis,199474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Ulex'],['Ulex australis'],3,0,5.76696252822876 21163,183,1775,,,,0.23519596,ISDB,,,,,,,UFBNDKZEPMYKSR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9407838582992554 21164,172,219,Amino acids and Peptides,Fatty acyls,Aminoacids,0.50579387,ISDB,,,,,,,LBRMUQMSXJFWOD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0231754779815674 21165,171,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_2_1iron,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Micromeles japonica,5741351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus japonica'],7,0,7.0 21166,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,9.162029504776001 21167,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.162029504776001 21168,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Aloe africana,138839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Aloe'],['Aloe africana'],4,3,9.162029504776001 21169,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],4,3,9.162029504776001 21170,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucurbita pepo,379282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Cucurbiteae'],['Cucurbita'],['Cucurbita pepo'],4,3,9.162029504776001 21171,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.162029504776001 21172,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Cucumis sativus,1006246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Cucurbitaceae'],['Benincaseae'],['Cucumis'],['Cucumis sativus'],4,3,9.162029504776001 21173,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.162029504776001 21174,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,9.162029504776001 21175,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Spinacia oleracea,317784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Anserineae'],['Spinacia'],['Spinacia oleracea'],4,3,9.162029504776001 21176,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,9.162029504776001 21177,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],4,3,9.162029504776001 21178,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-UHFFFAOYSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)",NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Rauvolfia serpentina,1050238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Vinceae'],['Rauvolfia'],['Rauvolfia serpentina'],4,3,9.162029504776001 21179,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,9.162029504776001 21180,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,9.162029504776001 21181,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,9.162029504776001 21182,170,834,Amino acids and Peptides,Small peptides,Tripeptides,0.9155074,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,9.162029504776001 21183,164,1177,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,UWSUKJWIFMJXOB-UFSQPUPSSA-N,"InChI=1S/C29H44O4/c1-16(2)18-7-12-29(25(32)33)14-13-27(5)20(23(18)29)15-22(31)24-26(4)10-9-21(30)17(3)19(26)8-11-28(24,27)6/h17-20,22-24,31H,1,7-15H2,2-6H3,(H,32,33)/t17-,18-,19-,20+,22+,23+,24+,26-,27+,28+,29-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CCC(=O)[C@@H](C)[C@@H]5CC[C@]43C)[C@@H]12,C29H44O4,pos_2_1iron,456.323959888,UWSUKJWIFMJXOB,Terpenoids,Triterpenoids,Lupane triterpenoids,Eleutherococcus trifoliatus,532569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Eleutherococcus'],['Eleutherococcus trifoliatus'],7,0,7.0 21184,163,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,3,8.5 21185,163,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,FBPFZTCFMRRESA-KVTDHHQDSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,3,8.5 21186,163,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,3,8.5 21187,163,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,3,8.5 21188,163,2490,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],7,3,8.5 21189,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 21190,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 21191,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 21192,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,0,6.0 21193,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 21194,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,0,6.0 21195,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 21196,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 21197,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,0,6.0 21198,160,1674,,,,0.0,MS1_match,CKGKQISENBKOCA-FHXQZXMCSA-N,"InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC,C20H30O13,pos_1_1proton1ammonium,478.16864101999977,CKGKQISENBKOCA,,,,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,0,6.0 21199,159,1674,,,,0.0,MS1_match,DWZZUSPCPXZLJI-UPOJXPCUSA-N,"InChI=1S/C23H26O5/c24-18-7-4-11(8-20(18)26)2-1-3-12-13-5-6-14-16(23(27)28)10-19(25)17-9-15(12)21(13)22(14)17/h4-8,10,12-15,17,19,21-22,24-26H,1-3,9H2,(H,27,28)/t12-,13-,14+,15+,17+,19-,21-,22+/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43,C23H26O5,pos_2MMg,382.178023932,DWZZUSPCPXZLJI,,,,Beilschmiedia ferruginea,6025446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia ferruginea'],6,0,6.0 21200,152,-1,,,,0.0,MS1_match,ZRSNZINYAWTAHE-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",COc1ccc(C=O)cc1,C8H8O2,pos_1_1proton,136.052429496,ZRSNZINYAWTAHE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cryptocarya agathophylla,6025872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya agathophylla'],6,0,6.0 21201,152,-1,,,,0.0,MS1_match,PKIYLOACOOWBCU-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-18-13-9-6-10-14(19-2)15(13)16(17)20-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3",COc1cccc(OC)c1C(=O)OCc1ccccc1,C16H16O4,pos_2_2proton,272.104858992,PKIYLOACOOWBCU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],6,0,6.0 21202,152,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_2_2proton,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Cryptocarya idenburgensis,6025980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya idenburgensis'],6,0,6.0 21203,152,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_2_2proton,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lindera umbellata,545887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Lindera'],['Lindera umbellata'],6,0,6.0 21204,152,-1,,,,0.0,MS1_match,MDMCODCJMHTFIZ-UHFFFAOYSA-N,"InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,C16H16O4,pos_2_2proton,272.104858992,MDMCODCJMHTFIZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Litsea glaucescens,631512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Litsea'],['Litsea glaucescens'],6,0,6.0 21205,151,-1,,,,0.0,MS1_match,AZQWKYJCGOJGHM-UHFFFAOYSA-N,InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H,O=C1C=CC(=O)C=C1,C6H4O2,pos_1_1proton1ethylamine,108.021129368,AZQWKYJCGOJGHM,,,,Pyrus,259068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyrus'],['Unknown'],8,0,8.0 21206,148,-1,,,,0.0,MS1_match,YCVPRTHEGLPYPB-VOTSOKGWSA-N,"InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+",Oc1cc(O)cc(/C=C/c2ccccc2)c1,C14H12O2,pos_1_1proton1dmso,212.083729624,YCVPRTHEGLPYPB,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Picea jezoensis,340875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea jezoensis'],6,0,6.0 21207,147,1570,,,,0.0,MS1_match,JQVZYONXFQBJLS-UHFFFAOYSA-N,"InChI=1S/C6H10O2/c1-5-2-3-6(7)4-8-5/h5H,2-4H2,1H3",CC1CCC(=O)CO1,C6H10O2,pos_2MHCH3CN,114.06807956,JQVZYONXFQBJLS,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 21208,147,1570,,,,0.0,MS1_match,CZEOXNDFAPPJHG-UHFFFAOYSA-N,"InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-4H2,1-2H3",CC1=C(C)OC(=O)CC1,C7H10O2,pos_2MHNH3,126.06807956,CZEOXNDFAPPJHG,,,,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 21209,143,1320,Fatty acids,Fatty acyls,Fatty alcohols,0.0,MS1_match,LRAFKVQWVKKBJQ-UHFFFAOYSA-N,"InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-16(20)11-15(13-18)12-17(21)14-19/h2,15-21H,1,3-14H2",C=CCCCCCCCCC(O)CC(CO)CC(O)CO,C17H34O4,pos_2_2sodium,302.245709568,LRAFKVQWVKKBJQ,Fatty acids,Fatty acyls,Fatty alcohols,Sextonia rubra,424385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Sextonia'],['Sextonia rubra'],6,3,7.5 21210,139,510,Shikimates and Phenylpropanoids,Lysine alkaloids,,0.0,MS1_match,WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",OCc1ccccc1,C7H8O,pos_1_1proton1ethylamine,108.057514876,WVDDGKGOMKODPV,Shikimates and Phenylpropanoids,,,Abies alba,887363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies alba'],7,1,7.5 21211,133,1341,Carbohydrates,Polyols,Cyclitols,0.0,MS1_match,GZCGUPFRVQAUEE-KCDKBNATSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1",O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,C6H12O6,pos_1_1proton1ethylamine,180.063388104,GZCGUPFRVQAUEE,Carbohydrates,Saccharides,Monosaccharides,Larix laricina,804263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix laricina'],6,1,6.5 21212,131,-1,,,,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton1dmso,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Alnus sieboldiana,787742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus sieboldiana'],7,0,7.0 21213,131,-1,,,,0.0,MS1_match,URFCJEUYXNAHFI-ZDUSSCGKSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1",O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton1dmso,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Alnus maximowiczii,1071688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus maximowiczii'],7,0,7.0 21214,129,-1,,,,0.59078956,ISDB,KDZOASGQNOPSCU-WDSKDSINSA-N,"InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1",N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O,C10H18N4O6,,290.122634296,KDZOASGQNOPSCU,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],3,0,5.363158226013184 21215,127,1767,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,0.69076395,ISDB,KQMSOYQGGOVLMM-PTJAYKTNSA-N,"InChI=1S/C13H22N2O6/c1-8(17)5-14-9-3-13(20,7-16)4-10(12(9)21-2)15-6-11(18)19/h8,15-17,20H,3-7H2,1-2H3,(H,18,19)/b14-9+/t8-,13+/m0/s1",COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\C[C@H](C)O,C13H22N2O6,,302.147786424,KQMSOYQGGOVLMM,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Aplysia californica,51009.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Anaspidea'],['Aplysiidae'],['Unknown'],['Aplysia'],['Aplysia californica'],1,3,5.263055801391602 21216,126,-1,,,,0.66954184,ISDB,PEZXVOHRDBYBFR-CYBMUJFWSA-N,"InChI=1S/C20H16N2O3/c1-2-13-14-8-17-18-12(7-11-5-3-4-6-16(11)21-18)9-22(17)19(23)15(14)10-25-20(13)24/h3-8,13H,2,9-10H2,1H3/t13-/m1/s1",CC[C@H]1C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,C20H16N2O3,,332.1160923719999,PEZXVOHRDBYBFR,Alkaloids,Tryptophan alkaloids,Pyrroloquinoline alkaloids,Camptotheca acuminata,555268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cornales'],['Nyssaceae'],['Unknown'],['Camptotheca'],['Camptotheca acuminata'],4,0,6.678167343139648 21217,124,655,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.0,MS1_match,BUSWPFRBQXQTLO-GWCFXTLKSA-N,"InChI=1S/C14H14O3/c1-7(2)10-4-3-8-5-9(15)6-11-12(8)13(10)17-14(11)16/h5-6,10,13,15H,1,3-4H2,2H3/t10-,13-/m0/s1",C=C(C)[C@@H]1CCc2cc(O)cc3c2[C@H]1OC3=O,C14H14O3,pos_2MMg,230.094294308,BUSWPFRBQXQTLO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Sorbus cuspidata,3903537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus cuspidata'],7,2,8.0 21218,123,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglensis,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,8.5 21219,123,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema fassoglense,443214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema fassoglense'],7,3,8.5 21220,123,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia rufa,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,8.5 21221,123,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-VVAXPEBGSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1",N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bauhinia holophylla,684695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Bauhinia'],['Bauhinia rufa'],7,3,8.5 21222,123,2120,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cyanogenic glycosides,0.0,MS1_match,WIIDBJNWXCWLKF-ORFYAIMPSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8+,9+,10+,11-,12+,13+,14-/m0/s1",N#C/C=C1/C=C[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H19NO8,pos_2_2proton1acetonitrile,329.111066568,WIIDBJNWXCWLKF,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Tylosema esculentum,121922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Cercideae'],['Tylosema'],['Tylosema esculentum'],7,3,8.5 21223,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia manga,3917448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia manga'],6,3,9.034891366958618 21224,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Julbernardia paniculata,3917326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Julbernardia'],['Julbernardia paniculata'],6,3,9.034891366958618 21225,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia utilis,3917442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia utilis'],6,3,9.034891366958618 21226,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia microphylla,3917452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia microphylla'],6,3,9.034891366958618 21227,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia longifolia,200317.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia longifolia'],6,3,9.034891366958618 21228,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia boehmii,974338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia boehmii'],6,3,9.034891366958618 21229,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia allenii,3917446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia allenii'],6,3,9.034891366958618 21230,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Cryptosepalum maraviense,3917144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Cryptosepalum'],['Cryptosepalum maraviense'],6,3,9.034891366958618 21231,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Julbernardia globiflora,1040268.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Julbernardia'],['Julbernardia globiflora'],6,3,9.034891366958618 21232,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Cryptosepalum exfoliatum,3917143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Cryptosepalum'],['Cryptosepalum exfoliatum'],6,3,9.034891366958618 21233,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)",C=C(CC(N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia spiciformis,774335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia spiciformis'],6,3,9.034891366958618 21234,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia glaucescens,3917450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia glaucescens'],6,3,9.034891366958618 21235,121,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.38372284,ISDB,RCCMXKJGURLWPB-BYPYZUCNSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(=O)O,C6H9NO4,,159.053157768,RCCMXKJGURLWPB,Amino acids and Peptides,Small peptides,Aminoacids,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],6,3,9.034891366958618 21236,120,1767,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,0.39391994,ISDB,WWWNCXCUDMPGJY-LAVMAAOOSA-N,"InChI=1S/C19H32N2O11/c1-30-16-10(4-19(29,8-23)5-11(16)24)21-9(2-3-13(20)25)7-31-17-12(6-22)32-18(28)15(27)14(17)26/h9,12,14-15,17-18,21-23,26-29H,2-8H2,1H3,(H2,20,25)/t9-,12-,14-,15-,17-,18+,19-/m1/s1",COC1=C(N[C@H](CCC(N)=O)CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)C[C@](O)(CO)CC1=O,C19H32N2O11,,464.200609844,WWWNCXCUDMPGJY,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Didymella fabae,367432.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Didymella'],['Didymella fabae'],1,3,4.075679779052734 21237,120,1767,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,0.39391994,ISDB,WWWNCXCUDMPGJY-LAVMAAOOSA-N,"InChI=1S/C19H32N2O11/c1-30-16-10(4-19(29,8-23)5-11(16)24)21-9(2-3-13(20)25)7-31-17-12(6-22)32-18(28)15(27)14(17)26/h9,12,14-15,17-18,21-23,26-29H,2-8H2,1H3,(H2,20,25)/t9-,12-,14-,15-,17-,18+,19-/m1/s1",COC1=C(N[C@H](CCC(N)=O)CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)C[C@](O)(CO)CC1=O,C19H32N2O11,,464.200609844,WWWNCXCUDMPGJY,Amino acids and Peptides,Mycosporine derivatives,Mycosporine and Mycosporine-like amino acids,Ascochyta fabae,367432.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Didymella'],['Didymella fabae'],1,3,4.075679779052734 21238,119,-1,,,,0.0,MS1_match,SKCKOFZKJLZSFA-BXKVDMCESA-N,"InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1",C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO,C6H14O5,pos_1_1sodium,166.084123548,SKCKOFZKJLZSFA,Fatty acids,Fatty acyls,Fatty alcohols,Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],8,0,8.0 21239,118,2851,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FYGDTMLNYKFZSV-FMROQHSXSA-N,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11+,12+,13+,14-,15-,16+,17+,18+/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,C18H32O16,pos_1_1sodium,504.16903494399975,FYGDTMLNYKFZSV,Carbohydrates,Saccharides,Disaccharides,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 21240,118,2851,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FYGDTMLNYKFZSV-FMROQHSXSA-N,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11+,12+,13+,14-,15-,16+,17+,18+/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,C18H32O16,pos_1_1sodium,504.16903494399975,FYGDTMLNYKFZSV,Carbohydrates,Saccharides,Disaccharides,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 21241,118,2851,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FYGDTMLNYKFZSV-FMROQHSXSA-N,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11+,12+,13+,14-,15-,16+,17+,18+/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,C18H32O16,pos_1_1sodium,504.16903494399975,FYGDTMLNYKFZSV,Carbohydrates,Saccharides,Disaccharides,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,3,7.5 21242,117,-1,,,,0.2880912,ISDB,,,,,,,JYGCFKIEXRCHGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1523648500442505 21243,112,-1,,,,0.6124486,ISDB,,,,,,,NOXWNIQIEPDBLD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.449794292449951 21244,111,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RSQSQJNRHICNNH-NFMPGMCNSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_2MMg,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 21245,111,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RSQSQJNRHICNNH-UHFFFAOYSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O5,pos_2MMg,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Picea sitchensis,771664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea sitchensis'],6,0,6.0 21246,111,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_2MMg,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 21247,111,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_2MMg,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 21248,111,594,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HHDWSDSMWJQURA-MHKXYFPYSA-N,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_2MMg,332.162373868,HHDWSDSMWJQURA,Terpenoids,Diterpenoids,Gibberellins,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],6,0,6.0 21249,109,868,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,AQXMPPOEJPDCFL-RNMHXWBZSA-N,"InChI=1S/C25H30O10/c1-11-22(32-4)12(2)24(35-25-21(30)20(29)19(28)17(10-26)34-25)18-15(27)9-16(33-23(11)18)13-5-7-14(31-3)8-6-13/h5-8,16-17,19-21,25-26,28-30H,9-10H2,1-4H3/t16-,17-,19-,20-,21+,25-/m0/s1",COc1ccc([C@@H]2CC(=O)c3c(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(C)c(OC)c(C)c3O2)cc1,C25H30O10,pos_2MMg,490.18389716,AQXMPPOEJPDCFL,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Prosopis juliflora,332948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis juliflora'],6,3,7.5 21250,108,699,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ODHCTXKNWHHXJC-GSVOUGTGSA-N,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1",O=C1CC[C@H](C(=O)O)N1,C5H7NO3,pos_1_1proton1methanol,129.042593084,ODHCTXKNWHHXJC,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 21251,108,699,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,QTBSBXVTEAMEQO-UHFFFAOYSA-N,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",CC(=O)O,C2H4O2,pos_2MHCH3CN,60.021129368,QTBSBXVTEAMEQO,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,3,9.5 21252,108,699,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,QTBSBXVTEAMEQO-UHFFFAOYSA-N,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",CC(=O)O,C2H4O2,pos_2MHCH3CN,60.021129368,QTBSBXVTEAMEQO,Amino acids and Peptides,Small peptides,Aminoacids,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,3,9.5 21253,108,699,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,QTBSBXVTEAMEQO-UHFFFAOYSA-N,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",CC(=O)O,C2H4O2,pos_2MHCH3CN,60.021129368,QTBSBXVTEAMEQO,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 21254,108,699,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,QTBSBXVTEAMEQO-UHFFFAOYSA-N,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",CC(=O)O,C2H4O2,pos_2MHCH3CN,60.021129368,QTBSBXVTEAMEQO,Amino acids and Peptides,Small peptides,Aminoacids,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,3,9.5 21255,108,699,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,OYIFNHCXNCRBQI-UHFFFAOYSA-N,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)",NC(CCCC(=O)O)C(=O)O,C6H11NO4,pos_1_1proton,161.068807832,OYIFNHCXNCRBQI,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,3,9.5 21256,106,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-GDQSFJPYSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1",OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 21257,106,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-GDQSFJPYSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1",OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 21258,106,-1,,,,0.0,MS1_match,QPOCKDYYXFOBCM-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-10-7-11(17)13-12(8-10)21-16(15(19)14(13)18)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3",COc1cc(O)c2c(c1)OC(c1ccccc1)C(O)C2=O,C16H14O5,pos_1_1proton1dmso,286.084123548,QPOCKDYYXFOBCM,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Picea abies var. abies,8454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,0,7.0 21259,104,1177,Amino acids and Peptides,Small peptides,Dipeptides,0.22853014,ISDB,NZYZLYFPFACZFH-JBGJSGBSSA-N,"InChI=1S/C12H18N2O6/c1-7(11(17)19-3)13-9(15)5-6-10(16)14-8(2)12(18)20-4/h5-8H,1-4H3,(H,13,15)(H,14,16)/b6-5+/t7-,8-/m0/s1",COC(=O)[C@H](C)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)OC,C12H18N2O6,,286.116486296,NZYZLYFPFACZFH,Amino acids and Peptides,Small peptides,,Penicillium chrysogenum,226485.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium chrysogenum'],1,2,2.9141205549240112 21260,102,1754,Carbohydrates,Polyols,Cyclitols,0.0,MS1_match,CDAISMWEOUEBRE-UHFFFAOYSA-N,InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,OC1C(O)C(O)C(O)C(O)C1O,C6H12O6,pos_1_1sodium,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,3,7.5 21261,101,-1,,,,0.0,MS1_match,HYRIQTUFZKVVIE-HHHXNRCGSA-N,"InChI=1S/C27H36O8/c1-12(2)9-17(28)19-23(32)16(21(30)14(5)24(19)35-8)11-27(7)25(33)15(6)22(31)20(26(27)34)18(29)10-13(3)4/h12-13,30,32-34H,9-11H2,1-8H3/t27-/m1/s1",COc1c(C)c(O)c(C[C@]2(C)C(O)=C(C)C(=O)C(C(=O)CC(C)C)=C2O)c(O)c1C(=O)CC(C)C,C27H36O8,pos_2_1iron,488.24101811199984,HYRIQTUFZKVVIE,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Hagenia abyssinica,328288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Hagenia'],['Hagenia abyssinica'],6,0,6.0 21262,101,-1,,,,0.0,MS1_match,RYAJSQZCMQSFHI-UHFFFAOYSA-N,"InChI=1S/C27H36O8/c1-12(2)9-18(28)20-24(32)16(22(30)14(5)26(20)34-7)11-17-23(31)15(6)27(35-8)21(25(17)33)19(29)10-13(3)4/h12-13,30-33H,9-11H2,1-8H3",COc1c(C)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CC(C)C)c2O)c(O)c1C(=O)CC(C)C,C27H36O8,pos_2_1iron,488.24101811199984,RYAJSQZCMQSFHI,Polyketides,Phloroglucinols,Acyl phloroglucinols,Hagenia abyssinica,328288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Sanguisorbeae'],['Hagenia'],['Hagenia abyssinica'],6,0,6.0 21263,99,-1,,,,0.66883963,ISDB,LWBIIACCGLWTMU-RMPHRYRLSA-N,"InChI=1S/C12H17NO6/c14-5-8-9(15)10(16)11(17)12(19-8)18-6-7-2-1-3-13-4-7/h1-4,8-12,14-17H,5-6H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](OCc2cccnc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H17NO6,,271.105587264,LWBIIACCGLWTMU,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Cynomorium songaricum,982689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cynomoriaceae'],['Unknown'],['Cynomorium'],['Cynomorium songaricum'],4,0,6.675358533859253 21264,99,-1,,,,0.66883963,ISDB,LWBIIACCGLWTMU-RMPHRYRLSA-N,"InChI=1S/C12H17NO6/c14-5-8-9(15)10(16)11(17)12(19-8)18-6-7-2-1-3-13-4-7/h1-4,8-12,14-17H,5-6H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](OCc2cccnc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H17NO6,,271.105587264,LWBIIACCGLWTMU,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Anoectochilus koshunensis,573790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Cranichideae'],['Anoectochilus'],['Anoectochilus koshunensis'],4,0,6.675358533859253 21265,95,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21266,95,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21267,95,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21268,95,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21269,95,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21270,95,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21271,95,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FZWBNHMXJMCXLU-BLAUPYHCSA-N,"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439998,FZWBNHMXJMCXLU,Carbohydrates,Saccharides,Disaccharides,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,3,7.5 21272,95,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FZWBNHMXJMCXLU-BLAUPYHCSA-N,"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439998,FZWBNHMXJMCXLU,Carbohydrates,Saccharides,Disaccharides,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,3,7.5 21273,94,427,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.43957824,ISDB,RADKZDMFGJYCBB-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",Cc1ncc(CO)c(C=O)c1O,C8H9NO3,,167.058243148,RADKZDMFGJYCBB,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],6,0,7.758312940597534 21274,93,68,Carbohydrates,Saccharides,Disaccharides,0.42900288,ISDB,CZMRCDWAGMRECN-GDQSFJPYSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1",OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,3,10.21601152420044 21275,91,-1,,,,0.5725072,ISDB,WQGWDDDVZFFDIG-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",Oc1cccc(O)c1O,C6H6O3,,126.031694052,WQGWDDDVZFFDIG,Shikimates and Phenylpropanoids,,,Hamamelis virginiana,60713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Hamamelis'],['Hamamelis virginiana'],5,0,7.290028810501099 21276,90,68,Carbohydrates,Saccharides,Disaccharides,0.42103496,ISDB,JPLATTLXZFUKRQ-UVMZSPEXSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Chondrus ocellatus,372375.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Chondrus'],['Chondrus ocellatus'],2,3,5.184139847755432 21277,90,68,Carbohydrates,Saccharides,Disaccharides,0.42103496,ISDB,JPLATTLXZFUKRQ-AWXGPMDLSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6-,7+,8+,9-,10+,11-,12+/m1/s1",O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Gloiopeltis furcata,275661.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Gloiopeltis'],['Gloiopeltis furcata'],2,3,5.184139847755432 21278,90,68,Carbohydrates,Saccharides,Disaccharides,0.42103496,ISDB,JPLATTLXZFUKRQ-UHFFFAOYSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2",O=CC(O)C1OCC(O)C1OC1OC(CO)C(O)C(O)C1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Pterocladiella tenuis,182322.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Pterocladiella'],['Pterocladiella tenuis'],2,3,5.184139847755432 21279,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Quercus acutissima,272706.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus acutissima'],3,0,5.843149662017822 21280,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Senna corymbosa,757707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna corymbosa'],3,0,5.843149662017822 21281,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Atractylodes japonica,7052196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes japonica'],3,0,5.843149662017822 21282,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Quercus mongolica,429751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus mongolica'],3,0,5.843149662017822 21283,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Syzygium aromaticum,200286.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Syzygieae'],['Syzygium'],['Syzygium aromaticum'],3,0,5.843149662017822 21284,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],3,0,5.843149662017822 21285,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],3,0,5.843149662017822 21286,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Celastrus flagellaris,709260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Celastrus'],['Celastrus flagellaris'],3,0,5.843149662017822 21287,88,-1,,,,0.7107874,ISDB,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],3,0,5.843149662017822 21288,87,68,Carbohydrates,Saccharides,Disaccharides,0.21321465,ISDB,GXKCUFUYTFWGNK-LIZSDCNHSA-N,"InChI=1S/C12H23NO10/c13-5-3(1-14)21-11(9(19)7(5)17)23-12-10(20)8(18)6(16)4(2-15)22-12/h3-12,14-20H,1-2,13H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1",N[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO,C12H23NO10,,341.132195936,GXKCUFUYTFWGNK,Carbohydrates,Saccharides,Disaccharides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,3,2.352858603000641 21289,85,-1,,,,0.0,MS1_match,DSCFFEYYQKSRSV-WYANEKAJSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5-,6-,7?/m0/s1",COC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O,C7H14O6,pos_1_1sodium,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 21290,84,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MMg,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 21291,84,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MMg,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 21292,84,-1,,,,0.0,MS1_match,NZAGHHLWDBEECH-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-6-4-14(10-20(19)26-2)8-16(12-22)15(11-21)7-13-3-5-17(23)18(24)9-13/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1ccc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(O)c2)cc1OC,C20H26O6,pos_2MMg,362.172938552,NZAGHHLWDBEECH,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,0,7.0 21293,83,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 21294,83,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1potassium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 21295,82,1341,Carbohydrates,Polyols,Cyclitols,0.0,MS1_match,DSCFFEYYQKSRSV-WYANEKAJSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5-,6-,7?/m0/s1",COC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O,C7H14O6,pos_1_1proton,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 21296,79,75,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.29486144,ISDB,,,,,,,ASJDJBXXEHTEBW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.179445743560791 21297,76,-1,,,,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Larix decidua,693251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix decidua'],7,0,7.0 21298,75,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Aronia melanocarpa,62443.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Aronia'],['Aronia melanocarpa'],7,0,7.0 21299,75,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-KVTDHHQDSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Sorbus aucuparia,217673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus aucuparia'],7,0,7.0 21300,75,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],7,0,7.0 21301,75,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],7,0,7.0 21302,75,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-JGWLITMVSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Crataegus,842028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Crataegus'],['Unknown'],7,0,7.0 21303,74,1341,Carbohydrates,Polyols,Cyclitols,0.0,MS1_match,DSCFFEYYQKSRSV-WYANEKAJSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5-,6-,7?/m0/s1",COC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Taxus baccata,684215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Taxaceae'],['Unknown'],['Taxus'],['Taxus baccata'],7,3,8.5 21304,73,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton1methanol,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 21305,73,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton1methanol,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 21306,73,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton1methanol,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,0,6.0 21307,71,219,Amino acids and Peptides,Fatty acyls,Aminoacids,0.35402727,ISDB,CABXGBMKSVRWOG-LURJTMIESA-N,"InChI=1S/C8H16N2O3/c1-5(2)10-7(11)4-3-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1",CC(C)NC(=O)CC[C@H](N)C(=O)O,C8H16N2O3,,188.116092372,CABXGBMKSVRWOG,Amino acids and Peptides,Small peptides,Aminoacids,Lunaria annua,464805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Biscutelleae'],['Lunaria'],['Lunaria annua'],3,3,5.916109085083008 21308,70,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros japonica,472521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros glaucifolia'],7,0,7.0 21309,70,-1,,,,0.0,MS1_match,OERWDJCNWLSHGW-RIEGTJTDSA-N,"InChI=1S/C15H18O2/c1-14(2)10-3-4-11(8-16)15(7-10)12(9-17)5-6-13(14)15/h4-5,8-10,13H,3,6-7H2,1-2H3/t10-,13+,15-/m1/s1",CC1(C)[C@@H]2CC=C(C=O)[C@]3(C2)C(C=O)=CC[C@@H]13,C15H18O2,pos_2_2sodium,230.130679816,OERWDJCNWLSHGW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],7,0,7.0 21310,70,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros wallichii,645187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros wallichii'],7,0,7.0 21311,70,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pyracantha coccinea,144411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Pyracantha'],['Pyracantha coccinea'],7,0,7.0 21312,70,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros virginiana,525019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros virginiana'],7,0,7.0 21313,70,-1,,,,0.0,MS1_match,YNBADRVTZLEFNH-UHFFFAOYSA-N,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",COC(=O)c1cccnc1,C7H7NO2,pos_1_1proton,137.047678464,YNBADRVTZLEFNH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Chaenomeles speciosa,371156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Chaenomeles'],['Chaenomeles speciosa'],7,0,7.0 21314,70,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],7,0,7.0 21315,70,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Diospyros glaucifolia,472521.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros glaucifolia'],7,0,7.0 21316,69,2073,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21317,69,2073,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21318,69,2073,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21319,69,2073,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21320,69,2073,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21321,69,2073,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21322,69,2073,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FZWBNHMXJMCXLU-BLAUPYHCSA-N,"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439998,FZWBNHMXJMCXLU,Carbohydrates,Saccharides,Disaccharides,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,3,7.5 21323,69,2073,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FZWBNHMXJMCXLU-BLAUPYHCSA-N,"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439998,FZWBNHMXJMCXLU,Carbohydrates,Saccharides,Disaccharides,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,3,7.5 21324,67,-1,,,,0.2052155,ISDB,,,,,,,AUSWUQNSPJCDGK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8208619952201843 21325,66,-1,,,,0.0,MS1_match,BWXJQHJHGMZLBT-OEMOEHNSSA-N,"InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m0/s1",CC1(C)C[C@H](O)[C@]23CC[C@@H](O)[C@](C)(CC[C@@H]12)C3,C15H26O2,pos_2_2sodium,238.193280072,BWXJQHJHGMZLBT,Terpenoids,Sesquiterpenoids,Clovane sesquiterpenoids,Laurus azorica,9696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Laurus azorica'],7,0,7.0 21326,65,1754,Carbohydrates,Polyols,Cyclitols,0.45065328,ISDB,LKFJQOCOGNNTCY-BWZBUEFSSA-N,"InChI=1S/C8H13NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h3,6-8,10,12-13H,2H2,1H3,(H,9,11)/t6-,7-,8-/m1/s1",CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O,C8H13NO5,,203.079372516,LKFJQOCOGNNTCY,Carbohydrates,,,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,1,3.302613139152527 21327,64,-1,,,,0.0,MS1_match,XPCTZQVDEJYUGT-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",Cc1occc(=O)c1O,C6H6O3,pos_1_1proton1ammonium,126.031694052,XPCTZQVDEJYUGT,Polyketides,Cyclic polyketides,4-pyrone derivatives,Cercidiphyllum japonicum,324758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Cercidiphyllaceae'],['Unknown'],['Cercidiphyllum'],['Cercidiphyllum japonicum'],8,0,8.0 21328,63,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.0,MS1_match,DEVNDOKWQVKIND-FJRNAGRFSA-N,"InChI=1S/C19H25NO7/c1-5-19-11(2)18(3,27-17(19)24)15(22)25-10-12-6-8-20(4)9-7-13(14(12)21)26-16(19)23/h6,11,13H,5,7-10H2,1-4H3/b12-6-/t11-,13-,18+,19-/m1/s1",CC[C@@]12C(=O)O[C@@H]3CCN(C)C/C=C(/COC(=O)[C@@](C)(OC1=O)[C@H]2C)C3=O,C19H25NO7,pos_3_1proton2sodium,379.16310214,DEVNDOKWQVKIND,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Crotalaria retusa,267997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Crotalaria'],['Crotalaria retusa'],6,1,6.5 21329,62,626,Amino acids and Peptides,Small peptides,Aminoacids,0.65174174,ISDB,YDGMGEXADBMOMJ-UHFFFAOYSA-N,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)",CN(C)C(=N)NCCCC(N)C(=O)O,C8H18N4O2,,202.142975816,YDGMGEXADBMOMJ,Amino acids and Peptides,Small peptides,Aminoacids,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],3,3,7.106966972351074 21330,61,1749,Amino acids and Peptides,Small peptides,Dipeptides,0.7183218,ISDB,DGBJQQBLTDLFMF-YFKPBYRVSA-N,"InChI=1S/C7H14N2O4/c8-5(7(12)13)1-2-6(11)9-3-4-10/h5,10H,1-4,8H2,(H,9,11)(H,12,13)/t5-/m0/s1",N[C@@H](CCC(=O)NCCO)C(=O)O,C7H14N2O4,,190.095356928,DGBJQQBLTDLFMF,Amino acids and Peptides,Small peptides,Aminoacids,Lunaria annua,464805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Biscutelleae'],['Lunaria'],['Lunaria annua'],3,2,6.873287200927734 21331,60,1626,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1sodium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21332,60,1626,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1sodium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21333,60,1626,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1sodium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21334,60,1626,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1sodium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21335,60,1626,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1sodium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,3,7.5 21336,60,1626,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1sodium,504.1690349439997,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Hedera pastuchovii,28352.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera pastuchovii'],6,3,7.5 21337,60,1626,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FZWBNHMXJMCXLU-BLAUPYHCSA-N,"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O16,pos_1_1sodium,504.1690349439998,FZWBNHMXJMCXLU,Carbohydrates,Saccharides,Disaccharides,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,3,7.5 21338,60,1626,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FZWBNHMXJMCXLU-BLAUPYHCSA-N,"InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H32O16,pos_1_1sodium,504.1690349439998,FZWBNHMXJMCXLU,Carbohydrates,Saccharides,Disaccharides,Panax notoginseng,831322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax notoginseng'],6,3,7.5 21339,59,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,MTCFGRXMJLQNBG-REOHCLBHSA-N,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",N[C@@H](CO)C(=O)O,C3H7NO3,pos_1_1proton1dmso,105.042593084,MTCFGRXMJLQNBG,Amino acids and Peptides,Small peptides,Aminoacids,Picea glauca,771681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea glauca'],6,0,6.0 21340,59,938,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,MTCFGRXMJLQNBG-REOHCLBHSA-N,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",N[C@@H](CO)C(=O)O,C3H7NO3,pos_1_1proton1dmso,105.042593084,MTCFGRXMJLQNBG,Amino acids and Peptides,Small peptides,Aminoacids,Picea pungens,248313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea pungens'],6,0,6.0 21341,58,525,Alkaloids,Fatty Acids and Conjugates,Aminoacids,0.0,MS1_match,FKCWQMCLWHDMHQ-YOOCBKBXSA-N,"InChI=1S/C15H24N2O4/c18-10-1-2-16-6-8-3-9(11(16)4-10)7-17-12(8)5-13(19)14(20)15(17)21/h8-14,18-20H,1-7H2/t8-,9-,10-,11-,12+,13+,14-/m0/s1",O=C1[C@@H](O)[C@H](O)C[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3,C15H24N2O4,pos_2_1magnesium,296.173607248,FKCWQMCLWHDMHQ,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Calpurnia aurea,434094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Podalyrieae'],['Calpurnia'],['Calpurnia aurea'],6,1,6.5 21342,57,68,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,CDAISMWEOUEBRE-UHFFFAOYSA-N,InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,OC1C(O)C(O)C(O)C(O)C1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,1,6.5 21343,56,-1,,,,0.0,MS1_match,UEEJDIUOCUCVHN-PWSUYJOCSA-N,"InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3/t10-,12+/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O,C13H22O2,pos_2_2sodium,210.161979944,UEEJDIUOCUCVHN,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 21344,55,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.29883498,ISDB,SHZGCJCMOBCMKK-HGVZOGFYSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1",C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,9.195339918136597 21345,54,-1,,,,0.24647763,ISDB,OXJORRLAXFDANJ-UHFFFAOYSA-N,"InChI=1S/C6H8O3/c1-6(4-7)3-2-5(8)9-6/h2,4,8H,3H2,1H3",CC1(C=O)CC=C(O)O1,C6H8O3,,128.047344116,OXJORRLAXFDANJ,Terpenoids,Monoterpenoids,,Mikania microptera,7604049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania microptera'],4,0,4.985910534858704 21346,53,51,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FBPFZTCFMRRESA-GUCUJZIJSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1proton,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 21347,49,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,MQTBVBAENOJOHV-UHFFFAOYSA-N,"InChI=1S/C15H18O3/c1-10-4-3-5-12(15(16)17)6-7-13-11(2)9-18-14(13)8-10/h4,6,9H,3,5,7-8H2,1-2H3,(H,16,17)",CC1=CCCC(C(=O)O)=CCc2c(C)coc2C1,C15H18O3,pos_2MMg,246.125594436,MQTBVBAENOJOHV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Neolitsea sericea,24802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Neolitsea'],['Neolitsea sericea'],6,3,7.5 21348,48,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,ZAUXXSQCVPKKPE-OAHLLOKOSA-N,"InChI=1S/C15H16O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h4,6,8H,5,7H2,1-3H3/t15-/m1/s1",CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1,C15H16O2,pos_2MMg,228.115029752,ZAUXXSQCVPKKPE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ocotea pulchella,1072091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Ocotea'],['Ocotea pulchella'],6,3,7.5 21349,47,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,DQCOGNYHJVFTPU-UHFFFAOYSA-N,"InChI=1S/C22H30O7/c1-6-7-21-10-16(26-4)19(23)22(27-5,20(21)24)17(12(21)2)13-8-14(25-3)18-15(9-13)28-11-29-18/h6,8-9,12,16-17,19-20,23-24H,1,7,10-11H2,2-5H3",C=CCC12CC(OC)C(O)C(OC)(C(c3cc(OC)c4c(c3)OCO4)C1C)C2O,C22H30O7,pos_2_1calcium,406.1991533,DQCOGNYHJVFTPU,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],6,1,6.5 21350,47,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,DQCOGNYHJVFTPU-WFFICVLJSA-N,"InChI=1S/C22H30O7/c1-6-7-21-10-16(26-4)19(23)22(27-5,20(21)24)17(12(21)2)13-8-14(25-3)18-15(9-13)28-11-29-18/h6,8-9,12,16-17,19-20,23-24H,1,7,10-11H2,2-5H3/t12-,16+,17+,19-,20-,21-,22+/m0/s1",C=CC[C@]12C[C@@H](OC)[C@H](O)[C@](OC)([C@@H](c3cc(OC)c4c(c3)OCO4)[C@@H]1C)[C@H]2O,C22H30O7,pos_2_1calcium,406.1991533,DQCOGNYHJVFTPU,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba,297724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Unknown'],6,1,6.5 21351,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,UYEMGAFJOZZIFP-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)",O=C(O)c1cc(O)cc(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,UYEMGAFJOZZIFP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,1,6.5 21352,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cryptocarya amygdalina,6025881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya amygdalina'],6,1,6.5 21353,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,AKEUNCKRJATALU-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)",O=C(O)c1c(O)cccc1O,C7H6O4,pos_1_1proton1methanol,154.026608672,AKEUNCKRJATALU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Aniba riparia,6025354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba riparia'],6,1,6.5 21354,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cinnamomum verum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,1,6.5 21355,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cinnamomum kotoense,5919653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum kotoense'],6,1,6.5 21356,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,1,6.5 21357,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cinnamomum zeylanicum,481247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum verum'],6,1,6.5 21358,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cinnamomum reticulatum,644826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum reticulatum'],6,1,6.5 21359,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cinnamomum pachyphyllum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,1,6.5 21360,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cinnamomum iners,1021266.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum iners'],6,1,6.5 21361,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cinnamomum cassia,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,1,6.5 21362,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Cinnamomum aromaticum,130606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum aromaticum'],6,1,6.5 21363,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,AKEUNCKRJATALU-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)",O=C(O)c1c(O)cccc1O,C7H6O4,pos_1_1proton1methanol,154.026608672,AKEUNCKRJATALU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,1,6.5 21364,46,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1methanol,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Nectandra grandiflora,5699197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Nectandra'],['Nectandra grandiflora'],6,1,6.5 21365,45,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.6279994,ISDB,LBKFGYZQBSGRHY-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1ccc(C(=O)O)cc1O,C8H8O4,,168.042258736,LBKFGYZQBSGRHY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Persea americana,913249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Persea'],['Persea americana'],6,1,9.011997699737549 21366,44,605,Shikimates and Phenylpropanoids,Sesquiterpenoids,Germacrane sesquiterpenoids,0.6072884,ISDB,LQJXQKKJSKMSHO-UHFFFAOYSA-N,"InChI=1S/C7H8O4/c1-10-5-2-6(4-8)11-7(9)3-5/h2-3,8H,4H2,1H3",COc1cc(CO)oc(=O)c1,C7H8O4,,156.042258736,LQJXQKKJSKMSHO,Polyketides,Cyclic polyketides,2-pyrone derivatives,Opuntia elatior,1017342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Unknown'],['Opuntia'],['Opuntia elatior'],4,0,6.429153680801392 21367,40,858,Amino acids and Peptides,Small peptides,Aminoacids,0.26572838,ISDB,OLPOUQMVOMXOGV-JTQLQIEISA-N,"InChI=1S/C12H15N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,7,10,14H,5-6,13H2,(H,15,17)(H,18,19)/t10-/m0/s1",N[C@@H](CCC(=O)NNc1ccc(C=O)cc1)C(=O)O,C12H15N3O4,,265.10625596,OLPOUQMVOMXOGV,Amino acids and Peptides,Small peptides,Aminoacids,Agaricus campestris,112640.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Agaricaceae'],['Unknown'],['Agaricus'],['Agaricus campestris'],1,3,3.5629135370254517 21368,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Phaseolus lunatus,989229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus lunatus'],4,1,6.334887146949768 21369,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Linum usitatissimum,1000262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Linaceae'],['Unknown'],['Linum'],['Linum usitatissimum'],4,1,6.334887146949768 21370,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus arenarius,1051197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus arenarius'],4,1,6.334887146949768 21371,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Osteospermum ecklonis,262526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Osteospermum'],['Osteospermum ecklonis'],4,1,6.334887146949768 21372,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Linum perenne,402520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Linaceae'],['Unknown'],['Linum'],['Linum perenne'],4,1,6.334887146949768 21373,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],4,1,6.334887146949768 21374,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-UHFFFAOYSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3",CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus glaber,484504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus tenuis'],4,1,6.334887146949768 21375,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-UHFFFAOYSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3",CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus conjugatus,3929080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus conjugatus'],4,1,6.334887146949768 21376,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-UHFFFAOYSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3",CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus krylovii,998585.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus krylovii'],4,1,6.334887146949768 21377,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-UHFFFAOYSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3",CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus tetragonolobus,878992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus tetragonolobus'],4,1,6.334887146949768 21378,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-UHFFFAOYSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3",CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus ornithopodioides,998599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus ornithopodioides'],4,1,6.334887146949768 21379,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Turnera ulmifolia,762467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Turnera'],['Turnera ulmifolia'],4,1,6.334887146949768 21380,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora subpeltata,3915275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora subpeltata'],4,1,6.334887146949768 21381,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hevea camargoana,7635035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Hevea'],['Hevea camargoana'],4,1,6.334887146949768 21382,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hevea pauciflora,3914619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Hevea'],['Hevea pauciflora'],4,1,6.334887146949768 21383,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hevea benthamiana,291945.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Hevea'],['Hevea benthamiana'],4,1,6.334887146949768 21384,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hevea spruceana,3914618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Hevea'],['Hevea spruceana'],4,1,6.334887146949768 21385,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hevea guianensis,980600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Hevea'],['Hevea guianensis'],4,1,6.334887146949768 21386,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],4,1,6.334887146949768 21387,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Trifolium occidentale,592375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium occidentale'],4,1,6.334887146949768 21388,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus maroccanus,998591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus maroccanus'],4,1,6.334887146949768 21389,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Osteospermum jucundum,856845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Osteospermum'],['Osteospermum jucundum'],4,1,6.334887146949768 21390,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Manihot esculenta,339369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Manihoteae'],['Manihot'],['Manihot esculenta'],4,1,6.334887146949768 21391,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora adenopoda,1098000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora adenopoda'],4,1,6.334887146949768 21392,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora lutea,609312.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora lutea'],4,1,6.334887146949768 21393,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora foetida,415777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora foetida'],4,1,6.334887146949768 21394,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora pendens,5334659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora pendens'],4,1,6.334887146949768 21395,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora morifolia,992817.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora morifolia'],4,1,6.334887146949768 21396,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-UHFFFAOYSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3",CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Passiflora,99202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Unknown'],4,1,6.334887146949768 21397,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Acacia aroma,639402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia aroma'],4,1,6.334887146949768 21398,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Linum narbonense,161528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Linaceae'],['Unknown'],['Linum'],['Linum narbonense'],4,1,6.334887146949768 21399,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus arabicus,472044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus arabicus'],4,1,6.334887146949768 21400,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus edulis,998593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus edulis'],4,1,6.334887146949768 21401,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus parviflorus,119038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus parviflorus'],4,1,6.334887146949768 21402,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hevea brasiliensis,339361.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Hevea'],['Hevea brasiliensis'],4,1,6.334887146949768 21403,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus tenuis,484504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus tenuis'],4,1,6.334887146949768 21404,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Linum grandiflorum,937538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Linaceae'],['Unknown'],['Linum'],['Linum grandiflorum'],4,1,6.334887146949768 21405,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Dimorphotheca jucunda,856845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Osteospermum'],['Osteospermum jucundum'],4,1,6.334887146949768 21406,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Trifolium repens,116218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium repens'],4,1,6.334887146949768 21407,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-ZEBDFXRSSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Lotus creticus,472038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus creticus'],4,1,6.334887146949768 21408,39,858,Amino acids and Peptides,Small peptides,Aminoacids,0.4587218,ISDB,QLTCHMYAEJEXBT-UHFFFAOYSA-N,"InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3",CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O,C10H17NO6,,247.105587264,QLTCHMYAEJEXBT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Trifolium nigrescens,592385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium nigrescens'],4,1,6.334887146949768 21409,37,-1,,,,0.29583773,ISDB,,,,,,,NNNDPCUGVXCJSP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.183350920677185 21410,36,-1,,,,0.0,MS1_match,JVTAAEKCZFNVCJ-UWTATZPHSA-N,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1",C[C@@H](O)C(=O)O,C3H6O3,pos_2MK,90.03169405199999,JVTAAEKCZFNVCJ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21411,36,-1,,,,0.0,MS1_match,GZCGUPFRVQAUEE-SLPGGIOYSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1",O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O6,pos_1_1potassium,180.063388104,GZCGUPFRVQAUEE,Carbohydrates,Saccharides,Monosaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21412,36,-1,,,,0.0,MS1_match,LKDRXBCSQODPBY-VRPWFDPXSA-N,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1",OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1potassium,180.063388104,LKDRXBCSQODPBY,Carbohydrates,Saccharides,Monosaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21413,36,-1,,,,0.0,MS1_match,BJHIKXHVCXFQLS-UYFOZJQFSA-N,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1",O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO,C6H12O6,pos_1_1potassium,180.063388104,BJHIKXHVCXFQLS,Carbohydrates,Saccharides,Monosaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21414,36,-1,,,,0.0,MS1_match,WQZGKKKJIJFFOK-PQMKYFCFSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1",OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1potassium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21415,36,-1,,,,0.0,MS1_match,JVTAAEKCZFNVCJ-UWTATZPHSA-N,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1",C[C@@H](O)C(=O)O,C3H6O3,pos_2MK,90.03169405199999,JVTAAEKCZFNVCJ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21416,34,-1,,,,0.0,MS1_match,QVTGRTRPQZINRF-CUYQCCFGSA-N,"InChI=1S/C8H16O8/c9-1-3-5(12)6(13)7(14)8(15,16-3)4(11)2-10/h3-7,9-15H,1-2H2/t3-,4-,5-,6+,7-,8+/m1/s1",OC[C@@H](O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C8H16O8,pos_1_1sodium,240.084517472,QVTGRTRPQZINRF,Carbohydrates,Saccharides,Monosaccharides,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 21417,33,681,Amino acids and Peptides,Small peptides,Aminoacids,0.56193024,ISDB,CEVQXWMPODOBRM-BYPYZUCNSA-N,"InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(N)=O,C6H10N2O3,,158.06914218,CEVQXWMPODOBRM,Amino acids and Peptides,Small peptides,Aminoacids,Cryptosepalum maraviense,3917144.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Cryptosepalum'],['Cryptosepalum maraviense'],6,3,9.747720956802368 21418,33,681,Amino acids and Peptides,Small peptides,Aminoacids,0.56193024,ISDB,CEVQXWMPODOBRM-BYPYZUCNSA-N,"InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(N)=O,C6H10N2O3,,158.06914218,CEVQXWMPODOBRM,Amino acids and Peptides,Small peptides,Aminoacids,Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],6,3,9.747720956802368 21419,33,681,Amino acids and Peptides,Small peptides,Aminoacids,0.56193024,ISDB,CEVQXWMPODOBRM-BYPYZUCNSA-N,"InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(N)=O,C6H10N2O3,,158.06914218,CEVQXWMPODOBRM,Amino acids and Peptides,Small peptides,Aminoacids,Styphnolobium japonicum,935514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Styphnolobium'],['Styphnolobium japonicum'],6,3,9.747720956802368 21420,33,681,Amino acids and Peptides,Small peptides,Aminoacids,0.56193024,ISDB,CEVQXWMPODOBRM-BYPYZUCNSA-N,"InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(N)=O,C6H10N2O3,,158.06914218,CEVQXWMPODOBRM,Amino acids and Peptides,Small peptides,Aminoacids,Cryptosepalum exfoliatum,3917143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Cryptosepalum'],['Cryptosepalum exfoliatum'],6,3,9.747720956802368 21421,33,681,Amino acids and Peptides,Small peptides,Aminoacids,0.56193024,ISDB,CEVQXWMPODOBRM-BYPYZUCNSA-N,"InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(N)=O,C6H10N2O3,,158.06914218,CEVQXWMPODOBRM,Amino acids and Peptides,Small peptides,Aminoacids,Julbernardia paniculata,3917326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Julbernardia'],['Julbernardia paniculata'],6,3,9.747720956802368 21422,33,681,Amino acids and Peptides,Small peptides,Aminoacids,0.56193024,ISDB,CEVQXWMPODOBRM-BYPYZUCNSA-N,"InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1",C=C(C[C@H](N)C(=O)O)C(N)=O,C6H10N2O3,,158.06914218,CEVQXWMPODOBRM,Amino acids and Peptides,Small peptides,Aminoacids,Brachystegia boehmii,974338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Brachystegia'],['Brachystegia boehmii'],6,3,9.747720956802368 21423,32,-1,,,,0.0,MS1_match,CDAISMWEOUEBRE-UHFFFAOYSA-N,InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,OC1C(O)C(O)C(O)C(O)C1O,C6H12O6,pos_1_1sodium,180.063388104,CDAISMWEOUEBRE,Carbohydrates,Polyols,Cyclitols,Pinus pinaster,837883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus pinaster'],6,0,6.0 21424,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],4,3,8.130635261535645 21425,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,8.130635261535645 21426,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,8.130635261535645 21427,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Opuntia ficus-indica,396274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Cactaceae'],['Unknown'],['Opuntia'],['Opuntia ficus-indica'],4,3,8.130635261535645 21428,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,8.130635261535645 21429,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,8.130635261535645 21430,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-UHFFFAOYSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)",NC(=O)NCCCC(N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.130635261535645 21431,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],4,3,8.130635261535645 21432,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,3,8.130635261535645 21433,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.130635261535645 21434,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Juncus roemerianus,3964781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus roemerianus'],4,3,8.130635261535645 21435,31,681,Amino acids and Peptides,Small peptides,Aminoacids,0.6576588,ISDB,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",NC(=O)NCCC[C@H](N)C(=O)O,C6H13N3O3,,175.095691276,RHGKLRLOHDJJDR,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],4,3,8.130635261535645 21436,30,-1,,,,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21437,30,-1,,,,0.0,MS1_match,RBNPOMFGQQGHHO-UWTATZPHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",O=C(O)[C@H](O)CO,C3H6O4,pos_1_1proton1acetonitrile,106.026608672,RBNPOMFGQQGHHO,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],9,0,9.0 21438,29,-1,,,,0.0,MS1_match,AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",CC[C@H](C)[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,AGPKZVBTJJNPAG,Amino acids and Peptides,Small peptides,Aminoacids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 21439,29,-1,,,,0.0,MS1_match,AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",CC[C@H](C)[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,AGPKZVBTJJNPAG,Amino acids and Peptides,Small peptides,Aminoacids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 21440,29,-1,,,,0.0,MS1_match,AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",CC[C@H](C)[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,AGPKZVBTJJNPAG,Amino acids and Peptides,Small peptides,Aminoacids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,0,6.0 21441,29,-1,,,,0.0,MS1_match,ROHFNLRQFUQHCH-YFKPBYRVSA-N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",CC(C)C[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,ROHFNLRQFUQHCH,Amino acids and Peptides,Small peptides,Aminoacids,Pinus ponderosa,736900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus ponderosa'],6,0,6.0 21442,29,-1,,,,0.0,MS1_match,ROHFNLRQFUQHCH-YFKPBYRVSA-N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",CC(C)C[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,ROHFNLRQFUQHCH,Amino acids and Peptides,Small peptides,Aminoacids,Pinus densiflora,327708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus densiflora'],6,0,6.0 21443,29,-1,,,,0.0,MS1_match,ROHFNLRQFUQHCH-YFKPBYRVSA-N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",CC(C)C[C@H](N)C(=O)O,C6H13NO2,pos_1_1proton,131.094628656,ROHFNLRQFUQHCH,Amino acids and Peptides,Small peptides,Aminoacids,Pinus contorta,1044477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pinus'],['Pinus contorta'],6,0,6.0 21444,28,1177,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,DRTQHJPVMGBUCF-XVFCMESISA-N,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C9H12N2O6,pos_1_1proton1isopropanol,244.069536104,DRTQHJPVMGBUCF,Carbohydrates,Nucleosides,Pyrimidine nucleos(t)ides,Prunus amygdalus,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 21445,28,1177,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,DRTQHJPVMGBUCF-XVFCMESISA-N,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C9H12N2O6,pos_1_1proton1isopropanol,244.069536104,DRTQHJPVMGBUCF,Carbohydrates,Nucleosides,Pyrimidine nucleos(t)ides,Prunus dulcis,731568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus dulcis'],8,0,8.0 21446,27,219,Amino acids and Peptides,Fatty acyls,Aminoacids,0.0,MS1_match,DBERHVIZRVGDFO-UHFFFAOYSA-N,"InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3",CC(=O)COC(C)=O,C5H8O3,pos_1_1proton1ethylamine,116.047344116,DBERHVIZRVGDFO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Picea abies,517943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Picea'],['Picea abies'],7,2,8.0 21447,25,-1,,,,0.0,MS1_match,QVTGRTRPQZINRF-CUYQCCFGSA-N,"InChI=1S/C8H16O8/c9-1-3-5(12)6(13)7(14)8(15,16-3)4(11)2-10/h3-7,9-15H,1-2H2/t3-,4-,5-,6+,7-,8+/m1/s1",OC[C@@H](O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C8H16O8,pos_1_1potassium,240.084517472,QVTGRTRPQZINRF,Carbohydrates,Saccharides,Monosaccharides,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],7,0,7.0 21448,24,-1,,,,0.0,MS1_match,BZGONHLQLISSBB-ZNZDAUKMSA-N,"InChI=1S/C19H20O3/c1-4-10-19-12-16(21-3)15(20)11-17(19)22-18(13(19)2)14-8-6-5-7-9-14/h4-9,11-13,18H,1,10H2,2-3H3/t13-,18+,19-/m1/s1",C=CC[C@]12C=C(OC)C(=O)C=C1O[C@H](c1ccccc1)[C@H]2C,C19H20O3,pos_2MMg,296.1412445,BZGONHLQLISSBB,Shikimates and Phenylpropanoids,,,Rhodostemonodaphne miranda,6027789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Rhodostemonodaphne'],['Rhodostemonodaphne miranda'],6,0,6.0 21449,24,-1,,,,0.0,MS1_match,JYPSBSSKEFYVHX-NSZREYDDSA-N,"InChI=1S/C19H20O3/c20-17(11-5-4-10-16-8-2-1-3-9-16)12-6-13-18-14-7-15-19(21)22-18/h1-11,13,15,17-18,20H,12,14H2/b10-4+,11-5+,13-6+/t17-,18-/m1/s1",O=C1C=CC[C@@H](/C=C/C[C@H](O)/C=C/C=C/c2ccccc2)O1,C19H20O3,pos_2MMg,296.1412445,JYPSBSSKEFYVHX,Shikimates and Phenylpropanoids,,,Cryptocarya liebertiana,5232056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya liebertiana'],6,0,6.0 21450,24,-1,,,,0.0,MS1_match,AOUVDXTWQKSVNG-HLOMPLSZSA-N,"InChI=1S/C19H20O3/c1-14(11-12-15-7-4-3-5-8-15)19-16(13-18(21)22-2)9-6-10-17(19)20/h3-8,10-12,16H,9,13H2,1-2H3/b12-11+,19-14+/t16-/m1/s1",COC(=O)C[C@H]1CC=CC(=O)/C1=C(C)/C=C/c1ccccc1,C19H20O3,pos_2MMg,296.1412445,AOUVDXTWQKSVNG,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Cryptocarya concinna,490063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cryptocarya'],['Cryptocarya concinna'],6,0,6.0 21451,23,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-GUCUJZIJSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1potassium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 21452,23,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-FXCAAIILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H31O15+,pos_3_3sodium,595.1657467120898,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Prunus spinosa,470244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus spinosa'],9,0,9.0 21453,22,-1,,,,0.0,MS1_match,ONIBWKKTOPOVIA-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)",O=C(O)C1CCCN1,C5H9NO2,pos_1_1proton2acetonitrile,115.063328528,ONIBWKKTOPOVIA,Amino acids and Peptides,Small peptides,Aminoacids,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],6,0,6.0 21454,22,-1,,,,0.0,MS1_match,ONIBWKKTOPOVIA-BYPYZUCNSA-N,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",O=C(O)[C@@H]1CCCN1,C5H9NO2,pos_1_1proton2acetonitrile,115.063328528,ONIBWKKTOPOVIA,Amino acids and Peptides,Small peptides,Aminoacids,Hedera helix,524074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Hedera'],['Hedera helix'],6,0,6.0 21455,21,-1,,,,0.0,MS1_match,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 21456,21,-1,,,,0.0,MS1_match,MBBOMCVGYCRMEA-UHFFFAOYSA-N,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",OCCc1c[nH]c2ccccc12,C10H11NO,pos_1_1sodium,161.084063972,MBBOMCVGYCRMEA,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Dalbergia,383449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Dalbergia'],['Unknown'],6,0,6.0 21457,21,-1,,,,0.0,MS1_match,KEOQXENEHBJOJF-ABYWQDKMSA-N,"InChI=1S/C20H24O5/c1-10-5-6-20(3,4)16-12(10)8-13-14(19(22)25-17(13)16)9-23-15-7-11(2)18(21)24-15/h7,9-10,13,15,17H,5-6,8H2,1-4H3/b14-9+/t10-,13+,15+,17-/m0/s1",CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)[C@@H](C)CCC4(C)C)OC1=O,C20H24O5,pos_2_1magnesium,344.1623738679999,KEOQXENEHBJOJF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 21458,21,-1,,,,0.0,MS1_match,KEOQXENEHBJOJF-NTEUORMPSA-N,"InChI=1S/C20H24O5/c1-10-5-6-20(3,4)16-12(10)8-13-14(19(22)25-17(13)16)9-23-15-7-11(2)18(21)24-15/h7,9-10,13,15,17H,5-6,8H2,1-4H3/b14-9+",CC1=CC(O/C=C2/C(=O)OC3C4=C(CC23)C(C)CCC4(C)C)OC1=O,C20H24O5,pos_2_1magnesium,344.162373868,KEOQXENEHBJOJF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 21459,21,-1,,,,0.0,MS1_match,KEOQXENEHBJOJF-ABYWQDKMSA-N,"InChI=1S/C20H24O5/c1-10-5-6-20(3,4)16-12(10)8-13-14(19(22)25-17(13)16)9-23-15-7-11(2)18(21)24-15/h7,9-10,13,15,17H,5-6,8H2,1-4H3/b14-9+/t10-,13+,15+,17-/m0/s1",CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)[C@@H](C)CCC4(C)C)OC1=O,C20H24O5,pos_2_1magnesium,344.1623738679999,KEOQXENEHBJOJF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lotus corniculatus,183572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus corniculatus'],6,0,6.0 21460,21,-1,,,,0.0,MS1_match,KEOQXENEHBJOJF-NTEUORMPSA-N,"InChI=1S/C20H24O5/c1-10-5-6-20(3,4)16-12(10)8-13-14(19(22)25-17(13)16)9-23-15-7-11(2)18(21)24-15/h7,9-10,13,15,17H,5-6,8H2,1-4H3/b14-9+",CC1=CC(O/C=C2/C(=O)OC3C4=C(CC23)C(C)CCC4(C)C)OC1=O,C20H24O5,pos_2_1magnesium,344.162373868,KEOQXENEHBJOJF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lotus japonicus,1081728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Loteae'],['Lotus'],['Lotus japonicus'],6,0,6.0 21461,21,-1,,,,0.0,MS1_match,KWOLFJPFCHCOCG-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",CC(=O)c1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,KWOLFJPFCHCOCG,Shikimates and Phenylpropanoids,,,Chamaecrista greggii,3916645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Chamaecrista'],['Chamaecrista greggii'],6,0,6.0 21462,21,-1,,,,0.0,MS1_match,KWOLFJPFCHCOCG-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",CC(=O)c1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,KWOLFJPFCHCOCG,Shikimates and Phenylpropanoids,,,Trifolium pratense,839027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trifolium'],['Trifolium pratense'],6,0,6.0 21463,21,-1,,,,0.0,MS1_match,KWOLFJPFCHCOCG-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",CC(=O)c1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,KWOLFJPFCHCOCG,Shikimates and Phenylpropanoids,,,Medicago sativa,1086789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Medicago'],['Medicago sativa'],6,0,6.0 21464,21,-1,,,,0.0,MS1_match,KWOLFJPFCHCOCG-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",CC(=O)c1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,KWOLFJPFCHCOCG,Shikimates and Phenylpropanoids,,,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 21465,21,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tamarindus indica,812370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Amherstieae'],['Tamarindus'],['Tamarindus indica'],6,0,6.0 21466,21,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],6,0,6.0 21467,21,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Vachellia rigidula,671629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Vachellia'],['Vachellia rigidula'],6,0,6.0 21468,21,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],6,0,6.0 21469,21,-1,,,,0.0,MS1_match,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=CCc1ccccc1,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,DTUQWGWMVIHBKE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],6,0,6.0 21470,21,-1,,,,0.0,MS1_match,HBEDSQVIWPRPAY-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",c1ccc2c(c1)CCO2,C8H8O,pos_1_1sodium1acetonitrile,120.057514876,HBEDSQVIWPRPAY,Shikimates and Phenylpropanoids,Isoflavonoids,,Trigonella foenum-graecum,1007994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Trigonella'],['Trigonella foenum-graecum'],6,0,6.0 21471,21,-1,,,,0.0,MS1_match,MBBOMCVGYCRMEA-UHFFFAOYSA-N,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",OCCc1c[nH]c2ccccc12,C10H11NO,pos_1_1sodium,161.084063972,MBBOMCVGYCRMEA,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],6,0,6.0 21472,21,-1,,,,0.0,MS1_match,MBBOMCVGYCRMEA-UHFFFAOYSA-N,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",OCCc1c[nH]c2ccccc12,C10H11NO,pos_1_1sodium,161.084063972,MBBOMCVGYCRMEA,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Desmanthus illinoensis,529975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Desmanthus'],['Desmanthus illinoensis'],6,0,6.0 21473,17,-1,,,,0.0,MS1_match,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,pos_1_1proton,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],8,0,8.0 21474,17,-1,,,,0.0,MS1_match,PHTQWCKDNZKARW-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",CC(C)CCO,C5H12O,pos_1_minus1proton2sodium,88.088815004,PHTQWCKDNZKARW,Fatty acids,Fatty acyls,Fatty alcohols,Prunus domestica,731554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus domestica'],8,0,8.0 21475,17,-1,,,,0.0,MS1_match,PHTQWCKDNZKARW-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",CC(C)CCO,C5H12O,pos_1_minus1proton2sodium,88.088815004,PHTQWCKDNZKARW,Fatty acids,Fatty acyls,Fatty alcohols,Prunus armeniaca,217632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus armeniaca'],8,0,8.0 21476,17,-1,,,,0.0,MS1_match,PHTQWCKDNZKARW-UHFFFAOYSA-N,"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",CC(C)CCO,C5H12O,pos_1_minus1proton2sodium,88.088815004,PHTQWCKDNZKARW,Fatty acids,Fatty acyls,Fatty alcohols,Prunus persica,259054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus persica'],8,0,8.0 21477,16,-1,,,,0.7717476,ISDB,ZGNNPADHGZHIKQ-UHFFFAOYSA-N,"InChI=1S/C20H22N3O2/c1-22-10-8-14-12-23(2)19-18(14)17(22)11-16(20(19)25)21-9-7-13-3-5-15(24)6-4-13/h3-6,11-12,21,24H,7-10H2,1-2H3",CN1CCc2cn(C)c3c([O])c(NCCc4ccc(O)cc4)cc1c23,C20H22N3O2,,336.171201944,ZGNNPADHGZHIKQ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Zyzzya fuliginosa,2836624.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Acarnidae'],['Unknown'],['Zyzzya'],['Zyzzya fuliginosa'],1,0,4.0869903564453125 21478,15,626,Amino acids and Peptides,Small peptides,Aminoacids,0.72370625,ISDB,NTNWOCRCBQPEKQ-YFKPBYRVSA-N,"InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1",CNC(=N)NCCC[C@H](N)C(=O)O,C7H16N4O2,,188.127325752,NTNWOCRCBQPEKQ,Amino acids and Peptides,Small peptides,Aminoacids,Abies holophylla,301372.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Abies'],['Abies holophylla'],5,3,9.394824981689453 21479,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,0,6.535985469818115 21480,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Dorstenia psilurus,564311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Dorstenia'],['Dorstenia psilurus'],4,0,6.535985469818115 21481,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Commelina communis,877757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Commelinaceae'],['Unknown'],['Commelina'],['Commelina communis'],4,0,6.535985469818115 21482,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-UHFFFAOYSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2",OCC1NCC(O)C(O)C1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Baphia nitida,351634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Baphieae'],['Baphia'],['Baphia nitida'],4,0,6.535985469818115 21483,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Morus indica,307703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus indica'],4,0,6.535985469818115 21484,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Morus bombycis,210686.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus bombycis'],4,0,6.535985469818115 21485,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Morus australis,210689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus australis'],4,0,6.535985469818115 21486,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-KVTDHHQDSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Angylocalyx pynaertii,476511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Angylocalyx'],['Angylocalyx pynaertii'],4,0,6.535985469818115 21487,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Hyacinthus orientalis,712150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthus'],['Hyacinthus orientalis'],4,0,6.535985469818115 21488,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Xanthocercis zambesiaca,980886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Xanthocercis'],['Xanthocercis zambesiaca'],4,0,6.535985469818115 21489,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Castanospermum australe,105873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Angylocalyceae'],['Castanospermum'],['Castanospermum australe'],4,0,6.535985469818115 21490,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Cichorium intybus,692350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Cichorium'],['Cichorium intybus'],4,0,6.535985469818115 21491,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-KVTDHHQDSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Adenophora triphylla var. japonica,526871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Adenophora'],['Adenophora triphylla'],4,0,6.535985469818115 21492,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-UHFFFAOYSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2",OCC1NCC(O)C(O)C1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Commelina,865574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Commelinales'],['Commelinaceae'],['Unknown'],['Commelina'],['Unknown'],4,0,6.535985469818115 21493,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Adenophora triphylla,817781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Adenophora'],['Adenophora triphylla'],4,0,6.535985469818115 21494,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Lonchocarpus heptaphyllus,922295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus heptaphyllus'],4,0,6.535985469818115 21495,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Hyacinthus transcaspicus,3969672.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthus'],['Hyacinthus transcaspicus'],4,0,6.535985469818115 21496,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Alrawia bellii,119182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Unknown'],['Alrawia'],['Alrawia bellii'],4,0,6.535985469818115 21497,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Hyacinthus litwinovii,1000879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthus'],['Hyacinthus litwinowii'],4,0,6.535985469818115 21498,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-KVTDHHQDSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Lonchocarpus sericeus,1055829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Millettieae'],['Lonchocarpus'],['Lonchocarpus sericeus'],4,0,6.535985469818115 21499,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-KVTDHHQDSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1",OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Omphalea diandra,630887.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Omphaleae'],['Omphalea'],['Omphalea diandra'],4,0,6.535985469818115 21500,13,-1,,,,0.63399637,ISDB,LXBIFEVIBLOUGU-JGWLITMVSA-N,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,C6H13NO4,,163.084457896,LXBIFEVIBLOUGU,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Scilla siberica,978711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Scilla'],['Scilla siberica'],4,0,6.535985469818115 21501,12,681,Amino acids and Peptides,Small peptides,Aminoacids,0.48799247,ISDB,ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",N=C(N)NCCC[C@H](N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Pseudotsuga menziesii,1075713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudotsuga'],['Pseudotsuga menziesii'],7,3,10.451969861984253 21502,10,-1,,,,0.4609723,ISDB,FQORWEQXRQVPBZ-KVTDHHQDSA-N,"InChI=1S/C6H15NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h3-6,8-12H,1-2,7H2/t3-,4-,5-,6-/m1/s1",N[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO,C6H15NO5,,181.09502258,FQORWEQXRQVPBZ,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Streptomyces lavendulae,623961.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces lavendulae'],0,0,1.8438892364501953 21503,9,699,Amino acids and Peptides,Small peptides,Aminoacids,0.54172146,ISDB,RMTXCTHJOJRMCZ-VKHMYHEASA-N,"InChI=1S/C4H9N3O4/c5-3(4(8)9)1-2-7(11)6-10/h3,10H,1-2,5H2,(H,8,9)/t3-/m0/s1",N[C@@H](CC[N+]([O-])=NO)C(=O)O,C4H9N3O4,,163.059305768,RMTXCTHJOJRMCZ,Amino acids and Peptides,Small peptides,Aminoacids,Streptomyces galilaeus,71064.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces galilaeus'],0,3,3.6668858528137207 21504,9,699,Amino acids and Peptides,Small peptides,Aminoacids,0.54172146,ISDB,RMTXCTHJOJRMCZ-VKHMYHEASA-N,"InChI=1S/C4H9N3O4/c5-3(4(8)9)1-2-7(11)6-10/h3,10H,1-2,5H2,(H,8,9)/t3-/m0/s1",N[C@@H](CC[N+]([O-])=NO)C(=O)O,C4H9N3O4,,163.059305768,RMTXCTHJOJRMCZ,Amino acids and Peptides,Small peptides,Aminoacids,Streptomyces bobili,685965.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces bobili'],0,3,3.6668858528137207